#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9j h SER 9 N 0.00 0.14 0.50 0.00 0.87 -2.06 -2.23 113.55 110.77 1y9j h SER 9 Ca 0.00 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1y9j h SER 9 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1y9j h SER 9 CO 0.00 0.21 -0.24 0.40 -0.53 0.00 0.00 176.83 176.67 1y9j h ILE 10 N 0.15 0.00 -0.96 2.23 1.08 -2.01 -2.99 117.51 115.00 1y9j h ILE 10 Ca 0.04 -0.36 0.28 0.00 -0.39 0.00 0.00 64.86 64.43 1y9j h ILE 10 Cb 0.18 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.89 1y9j h ILE 10 CO 0.01 0.00 0.75 -0.09 -0.69 0.00 0.00 178.15 178.13 1y9j h ARG 11 N -1.03 0.00 -0.15 2.37 9.65 -1.95 0.22 114.38 123.49 1y9j h ARG 11 Ca -0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 1y9j h ARG 11 Cb 0.52 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.09 1y9j h ARG 11 CO 0.11 0.00 0.05 0.93 2.80 0.00 0.00 179.97 183.86 1y9j h GLU 12 N 0.00 0.23 -0.42 0.20 5.08 -1.32 -2.62 114.58 115.73 1y9j h GLU 12 Ca 0.46 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1y9j h GLU 12 Cb 1.96 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1y9j h GLU 12 CO -0.00 0.34 0.28 0.07 -1.00 0.00 0.00 179.01 178.70 1y9j h ARG 13 N 0.07 0.47 -0.47 2.33 -0.00 -0.43 -1.88 114.38 114.47 1y9j h ARG 13 Ca 0.05 -0.03 0.07 0.00 -0.00 0.00 0.00 59.98 60.07 1y9j h ARG 13 Cb 0.21 -0.11 -0.06 0.00 -0.00 0.00 0.00 29.97 30.01 1y9j h ARG 13 CO -0.00 0.31 0.13 1.96 -0.00 0.00 0.00 179.97 182.38 1y9j h GLN 14 N 0.49 0.28 0.00 0.08 4.20 -1.18 0.43 115.11 119.41 1y9j h GLN 14 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1y9j h GLN 14 Cb 0.06 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1y9j h GLN 14 CO -0.04 0.18 -0.08 1.79 -0.67 0.00 0.00 178.83 180.02 1y9j h THR 15 N 0.29 0.21 0.61 -0.54 1.35 -1.25 -3.06 112.91 110.52 1y9j h THR 15 Ca 0.23 -0.69 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1y9j h THR 15 Cb 0.27 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1y9j h THR 15 CO -0.27 0.08 -0.30 0.58 -0.25 0.00 0.00 175.52 175.36 1y9j h VAL 16 N 0.00 0.00 -0.70 6.82 2.07 -0.50 0.98 116.25 124.92 1y9j h VAL 16 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1y9j h VAL 16 Cb 0.56 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1y9j h VAL 16 CO 0.01 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.06 1y9j h ALA 17 N -1.61 1.83 0.25 1.67 0.00 -1.59 -1.37 119.26 118.44 1y9j h ALA 17 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1y9j h ALA 17 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1y9j h ALA 17 CO 0.13 0.04 -0.12 -0.07 0.00 0.00 0.00 179.25 179.23 1y9j h LEU 18 N 0.62 -0.29 -1.72 0.00 3.38 -1.39 -3.06 115.31 112.85 1y9j h LEU 18 Ca 0.31 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.65 1y9j h LEU 18 Cb 0.41 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1y9j h LEU 18 CO -0.11 -0.15 0.85 0.11 0.09 0.00 0.00 178.44 179.23 1y9j h LYS 19 N -0.44 0.12 0.13 1.13 1.57 0.12 0.27 116.57 119.47 1y9j h LYS 19 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1y9j h LYS 19 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1y9j h LYS 19 CO 0.06 0.08 -0.11 0.00 -0.57 0.00 0.00 179.45 178.91 1y9j h ARG 20 N 0.13 -0.25 -0.00 3.15 3.08 -1.21 1.08 114.38 120.36 1y9j h ARG 20 Ca 0.65 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1y9j h ARG 20 Cb 2.23 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.34 1y9j h ARG 20 CO -0.15 -0.17 -0.16 0.00 -1.07 0.00 0.00 179.97 178.42 1y9j n MET 21 N -5.23 0.19 -0.00 0.04 0.00 0.33 -0.11 117.12 112.34 1y9j n MET 21 Ca -0.08 -0.06 0.09 0.00 0.00 0.00 0.00 57.70 57.66 1y9j n MET 21 Cb 0.15 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.76 1y9j n MET 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1y9j n LEU 22 N -1.36 0.61 0.00 3.17 4.77 0.66 -4.74 117.00 120.12 1y9j n LEU 22 Ca 0.09 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1y9j n LEU 22 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1y9j n LEU 22 CO 0.28 0.15 -0.15 0.59 -1.33 0.00 0.00 177.39 176.94 1y9j n ASN 23 N -1.64 1.20 -4.48 -1.43 3.02 0.37 -4.78 115.26 107.52 1y9j n ASN 23 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 1y9j n ASN 23 Cb 0.35 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1y9j n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1y9j s PHE 24 N -1.29 2.71 0.07 3.10 5.36 0.84 -5.01 117.98 123.75 1y9j s PHE 24 Ca 0.00 -0.37 -0.30 0.00 -0.96 0.00 0.00 56.93 55.30 1y9j s PHE 24 Cb 0.00 -4.21 -0.05 0.00 -0.34 0.00 0.00 43.02 38.42 1y9j s PHE 24 CO 0.00 -1.55 1.09 0.54 -1.46 0.00 0.00 175.22 173.83 1y9j s ASN 25 N 3.39 7.25 0.65 6.13 2.20 -1.26 -4.46 114.94 128.84 1y9j s ASN 25 Ca 0.25 1.89 -0.14 0.00 -0.94 0.00 0.00 52.86 53.92 1y9j s ASN 25 Cb -0.15 -2.58 -0.01 0.00 -2.00 0.00 0.00 41.25 36.51 1y9j s ASN 25 CO 0.13 -0.32 1.08 0.68 -2.94 0.00 0.00 177.10 175.74 1y9j s VAL 26 N 0.70 3.55 -0.33 3.54 -7.23 -1.26 -4.90 120.40 114.47 1y9j s VAL 26 Ca 0.54 0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 61.11 1y9j s VAL 26 Cb -0.26 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.39 1y9j s VAL 26 CO 0.30 -0.49 2.30 -0.81 -0.31 0.00 0.00 175.10 176.09 1y9j n PRO 27 N -2.44 1.56 -4.33 4.82 -0.04 -1.26 -4.95 135.00 128.36 1y9j n PRO 27 Ca 0.09 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.61 1y9j n PRO 27 Cb 0.53 -3.24 -0.07 0.00 -0.04 0.00 0.00 33.50 30.67 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1y9j s HIS 28 N 9.65 2.34 -0.68 0.54 2.46 -1.26 -5.06 115.29 123.28 1y9j s HIS 28 Ca 1.01 -0.70 -0.27 0.00 0.47 0.00 0.00 55.06 55.57 1y9j s HIS 28 Cb -0.32 -1.85 0.01 0.00 -0.13 0.00 0.00 32.58 30.28 1y9j s HIS 28 CO 0.33 0.17 1.56 0.08 -2.47 0.00 0.00 174.74 174.42 1y9j s VAL 29 N -2.70 3.54 -0.27 0.89 1.01 -1.26 -4.97 120.40 116.65 1y9j s VAL 29 Ca 0.32 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1y9j s VAL 29 Cb 0.04 -4.44 0.01 0.00 0.00 0.00 0.00 36.38 31.99 1y9j s VAL 29 CO 0.18 -1.40 0.02 -1.59 0.00 0.00 0.00 175.10 172.32 1y9j s LYS 30 N 6.38 3.10 -0.25 2.72 0.00 -1.26 -4.96 119.74 125.47 1y9j s LYS 30 Ca 0.51 -0.83 -0.02 0.00 0.00 0.00 0.00 55.97 55.62 1y9j s LYS 30 Cb -0.10 -3.21 -0.17 0.00 0.00 0.00 0.00 37.83 34.35 1y9j s LYS 30 CO 0.18 -0.38 -0.19 -1.71 0.00 0.00 0.00 175.35 173.24 1y9j n ASN 31 N 4.81 1.99 -4.29 0.03 2.85 -1.26 -4.81 115.26 114.57 1y9j n ASN 31 Ca -0.16 -0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 53.86 1y9j n ASN 31 Cb 0.48 -0.54 -0.05 0.00 1.24 0.00 0.00 39.78 40.91 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1y9j s SER 32 N -6.76 6.18 0.53 1.20 0.01 -1.26 -5.07 113.70 108.53 1y9j s SER 32 Ca -0.35 -1.97 -0.20 0.00 1.31 0.00 0.00 55.95 54.74 1y9j s SER 32 Cb 0.10 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.10 1y9j s SER 32 CO 0.59 -0.78 1.17 -2.16 0.41 0.00 0.00 173.24 172.48 1y9j s PRO 33 N 1.30 3.36 0.00 12.44 0.04 -1.26 -3.67 135.00 147.21 1y9j s PRO 33 Ca 0.06 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1y9j s PRO 33 Cb -0.26 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1y9j s PRO 33 CO 0.00 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1y9j n GLY 34 N 0.36 2.31 3.75 0.56 0.00 -1.26 -5.07 105.19 105.84 1y9j n GLY 34 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1y9j n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y9j s GLU 35 N -0.19 4.46 1.02 1.61 8.01 -1.24 -5.05 118.70 127.33 1y9j s GLU 35 Ca 0.00 1.00 -0.14 0.00 0.01 0.00 0.00 54.97 55.84 1y9j s GLU 35 Cb 0.00 -3.35 0.11 0.00 -4.31 0.00 0.00 34.13 26.57 1y9j s GLU 35 CO 0.00 0.31 0.49 -2.30 0.01 0.00 0.00 175.26 173.78 1y9j n PRO 36 N 2.73 -0.97 -3.68 0.39 -0.02 -1.26 -4.97 135.00 127.22 1y9j n PRO 36 Ca -0.03 -0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 60.82 1y9j n PRO 36 Cb 0.50 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1y9j n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1y9j s VAL 37 N -2.39 3.71 0.51 -1.45 1.01 -1.26 -5.08 120.40 115.45 1y9j s VAL 37 Ca 0.60 -2.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.29 1y9j s VAL 37 Cb -0.19 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1y9j s VAL 37 CO 0.65 -0.75 1.27 0.26 0.00 0.00 0.00 175.10 176.53 1y9j s TRP 38 N 1.07 2.55 -0.02 5.22 0.52 -1.26 -4.92 118.94 122.10 1y9j s TRP 38 Ca 0.08 1.45 -0.00 0.00 0.02 0.00 0.00 56.10 57.65 1y9j s TRP 38 Cb -0.24 -3.61 0.03 0.00 -1.15 0.00 0.00 33.47 28.50 1y9j s TRP 38 CO -0.03 -2.28 0.03 0.21 0.02 0.00 0.00 176.95 174.90 1y9j s LYS 39 N -2.81 0.05 0.42 4.98 2.20 0.29 -4.24 119.74 120.63 1y9j s LYS 39 Ca 0.68 0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 56.44 1y9j s LYS 39 Cb -0.35 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.60 1y9j s LYS 39 CO 0.42 -0.18 0.68 0.08 -0.36 0.00 0.00 175.35 175.99 1y9j s VAL 40 N 1.17 4.99 -0.02 4.02 1.01 0.73 -2.75 120.40 129.55 1y9j s VAL 40 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1y9j s VAL 40 Cb -0.13 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1y9j s VAL 40 CO -0.03 -0.71 0.07 -0.22 0.00 0.00 0.00 175.10 174.21 1y9j s LEU 41 N -4.52 1.77 -0.25 3.92 2.96 -0.49 0.12 118.68 122.19 1y9j s LEU 41 Ca 0.44 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1y9j s LEU 41 Cb -0.10 0.26 0.08 0.00 0.50 0.00 0.00 46.19 46.92 1y9j s LEU 41 CO 0.41 -0.07 0.04 -0.63 -1.32 0.00 0.00 176.35 174.77 1y9j s ILE 42 N -0.20 0.90 0.24 6.68 -1.09 1.00 -2.59 121.20 126.15 1y9j s ILE 42 Ca -0.03 -1.04 0.08 0.00 -2.23 0.00 0.00 60.65 57.43 1y9j s ILE 42 Cb -0.02 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 1y9j s ILE 42 CO 0.00 -0.36 0.07 -0.72 -1.23 0.00 0.00 174.94 172.70 1y9j s TYR 43 N 1.65 2.88 0.00 3.97 -0.85 -1.11 -0.81 117.35 123.09 1y9j s TYR 43 Ca 0.02 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 1y9j s TYR 43 Cb -0.18 -1.31 0.00 0.00 0.38 0.00 0.00 41.96 40.86 1y9j s TYR 43 CO -0.14 0.57 0.00 -3.47 -1.52 0.00 0.00 175.55 170.99 1y9j n ASP 44 N -0.86 1.92 -0.38 -0.18 2.03 -1.24 -3.09 116.55 114.74 1y9j n ASP 44 Ca -0.07 -0.85 -0.04 0.00 0.52 0.00 0.00 54.79 54.34 1y9j n ASP 44 Cb 0.58 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 1y9j n ASP 44 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1y9j n ARG 45 N -0.04 -0.30 0.05 -0.67 3.00 -1.26 -0.26 116.66 117.19 1y9j n ARG 45 Ca 0.00 1.46 -0.17 0.00 -0.01 0.00 0.00 57.85 59.13 1y9j n ARG 45 Cb 0.00 -2.16 -0.08 0.00 0.00 0.00 0.00 32.46 30.22 1y9j n ARG 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1y9j h PHE 46 N 0.00 0.88 -0.79 -1.55 -1.00 -1.95 -2.79 116.94 109.73 1y9j h PHE 46 Ca 0.27 -0.47 0.19 0.00 2.81 0.00 0.00 57.97 60.77 1y9j h PHE 46 Cb 0.51 -0.10 -0.13 0.00 3.61 0.00 0.00 35.95 39.83 1y9j h PHE 46 CO -0.89 1.29 0.08 0.78 -1.61 0.00 0.00 178.31 177.96 1y9j h GLY 47 N 0.75 1.00 2.00 -1.45 0.00 -0.81 0.57 103.07 105.13 1y9j h GLY 47 Ca -0.10 0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1y9j h GLY 47 CO 0.18 -0.31 -0.61 0.06 0.00 0.00 0.00 176.54 175.86 1y9j h GLN 48 N 0.14 0.00 0.00 4.80 3.07 -0.97 -0.49 115.11 121.66 1y9j h GLN 48 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.19 1y9j h GLN 48 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 1y9j h GLN 48 CO -0.66 0.61 0.00 -3.47 0.09 0.00 0.00 178.83 175.40 1y9j n ASP 49 N -3.32 0.15 0.00 0.06 -0.08 0.18 -2.60 116.55 110.94 1y9j n ASP 49 Ca 0.01 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1y9j n ASP 49 Cb 0.75 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1y9j n ILE 50 N -1.67 0.00 -0.13 5.18 5.41 -0.25 -4.59 119.36 123.31 1y9j n ILE 50 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.69 1y9j n ILE 50 Cb 0.16 -0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 38.50 1y9j n ILE 50 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 1y9j h ILE 51 N 0.00 1.17 0.85 1.39 2.10 -1.15 -3.11 117.51 118.77 1y9j h ILE 51 Ca 0.00 -0.48 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 1y9j h ILE 51 Cb 0.95 0.77 0.01 0.00 -1.09 0.00 0.00 36.82 37.46 1y9j h ILE 51 CO 0.00 0.18 -0.41 -1.28 -1.08 0.00 0.00 178.15 175.56 1y9j h SER 52 N 0.49 -0.97 -0.43 2.19 0.87 -1.61 1.08 113.55 115.17 1y9j h SER 52 Ca 0.13 0.03 0.13 0.00 -1.23 0.00 0.00 61.79 60.85 1y9j h SER 52 Cb 0.11 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1y9j h SER 52 CO -0.02 -0.67 0.71 1.55 -0.53 0.00 0.00 176.83 177.87 1y9j h PRO 53 N -1.18 0.00 0.00 2.24 0.13 -1.77 0.30 132.00 131.71 1y9j h PRO 53 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1y9j h PRO 53 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1y9j h PRO 53 CO 0.19 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.24 1y9j n LEU 54 N -3.23 1.57 -3.46 1.56 4.77 -1.07 -5.06 117.00 112.07 1y9j n LEU 54 Ca 0.09 -1.61 -0.13 0.00 -0.03 0.00 0.00 56.01 54.33 1y9j n LEU 54 Cb 0.87 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 1y9j n LEU 54 CO 0.19 0.40 0.38 -0.22 -1.33 0.00 0.00 177.39 176.82 1y9j s LEU 55 N -0.84 -0.49 0.40 2.23 0.20 0.37 -5.03 118.68 115.52 1y9j s LEU 55 Ca 0.01 0.12 0.04 0.00 0.69 0.00 0.00 54.13 54.99 1y9j s LEU 55 Cb 0.01 2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 48.23 1y9j s LEU 55 CO 0.00 -0.88 0.06 -0.44 -0.29 0.00 0.00 176.35 174.80 1y9j s SER 56 N -2.42 3.10 0.03 3.68 0.01 -1.26 -3.89 113.70 112.94 1y9j s SER 56 Ca -0.01 -1.53 -0.22 0.00 1.31 0.00 0.00 55.95 55.50 1y9j s SER 56 Cb -0.01 0.18 -0.15 0.00 0.21 0.00 0.00 66.02 66.26 1y9j s SER 56 CO -0.08 -0.74 1.39 0.58 0.41 0.00 0.00 173.24 174.81 1y9j h VAL 57 N 1.80 1.31 -0.30 3.43 2.07 -1.98 -1.44 116.25 121.15 1y9j h VAL 57 Ca -0.40 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1y9j h VAL 57 Cb 1.27 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1y9j h VAL 57 CO 0.68 0.30 -0.09 0.07 0.02 0.00 0.00 177.57 178.55 1y9j h LYS 58 N -0.12 0.50 -0.01 1.57 5.09 -2.00 -2.07 116.57 119.53 1y9j h LYS 58 Ca 0.03 -0.13 -0.14 0.00 0.09 0.00 0.00 60.65 60.50 1y9j h LYS 58 Cb 0.49 -0.06 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 1y9j h LYS 58 CO 0.01 0.60 -0.64 0.93 -2.09 0.00 0.00 179.45 178.27 1y9j h GLU 59 N 0.47 0.04 0.27 0.07 4.39 -1.96 -1.14 114.58 116.71 1y9j h GLU 59 Ca 0.09 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1y9j h GLU 59 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1y9j h GLU 59 CO 0.02 0.66 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.32 1y9j h LEU 60 N 0.03 -0.34 -1.01 1.33 3.38 -0.56 0.46 115.31 118.60 1y9j h LEU 60 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1y9j h LEU 60 Cb 1.13 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1y9j h LEU 60 CO 0.09 -0.23 -0.23 0.03 0.09 0.00 0.00 178.44 178.18 1y9j h ARG 61 N -0.38 0.00 0.00 1.13 2.47 -1.45 -2.49 114.38 113.65 1y9j h ARG 61 Ca -0.03 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 1y9j h ARG 61 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 1y9j h ARG 61 CO 0.05 0.23 -0.38 -0.44 0.56 0.00 0.00 179.97 179.98 1y9j h ASP 62 N 0.00 0.00 1.90 7.04 5.19 -0.67 -3.22 116.42 126.66 1y9j h ASP 62 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1y9j h ASP 62 Cb 0.79 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 1y9j h ASP 62 CO 0.03 0.28 -0.10 0.24 -3.12 0.00 0.00 179.24 176.57 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 0.14 -3.47 114.93 118.02 1y9j h MET 63 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1y9j h MET 63 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1y9j h MET 63 CO 0.03 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.42 1y9j n GLY 64 N 1.11 1.17 3.66 8.32 0.00 -1.19 -4.89 105.19 113.37 1y9j n GLY 64 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -2.00 5.22 -0.67 -0.61 2.07 -0.96 -0.55 121.20 123.70 1y9j s ILE 65 Ca 0.00 0.13 0.24 0.00 -1.41 0.00 0.00 60.65 59.61 1y9j s ILE 65 Cb 0.00 -3.42 0.01 0.00 0.13 0.00 0.00 42.46 39.18 1y9j s ILE 65 CO 0.00 0.38 1.27 1.07 -1.91 0.00 0.00 174.94 175.75 1y9j n THR 66 N 4.07 0.27 -3.65 4.00 5.66 -1.11 -4.57 114.28 118.95 1y9j n THR 66 Ca -0.15 -0.24 -0.02 0.00 -3.05 0.00 0.00 64.05 60.59 1y9j n THR 66 Cb 0.52 -0.02 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1y9j n THR 66 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1y9j s LEU 67 N -4.02 -0.10 -0.04 1.09 1.98 -1.26 -5.02 118.68 111.30 1y9j s LEU 67 Ca 0.06 0.19 -0.02 0.00 -2.89 0.00 0.00 54.13 51.47 1y9j s LEU 67 Cb 0.14 1.18 0.03 0.00 0.66 0.00 0.00 46.19 48.20 1y9j s LEU 67 CO 0.73 -0.03 0.07 -1.38 -1.89 0.00 0.00 176.35 173.85 1y9j s HIS 68 N 0.37 0.03 0.24 5.38 -3.43 -1.26 -1.39 115.29 115.22 1y9j s HIS 68 Ca 0.02 0.28 -0.12 0.00 -0.80 0.00 0.00 55.06 54.44 1y9j s HIS 68 Cb -0.04 -0.41 -0.00 0.00 -1.43 0.00 0.00 32.58 30.69 1y9j s HIS 68 CO -0.13 -0.18 0.46 -0.48 -2.00 0.00 0.00 174.74 172.40 1y9j s LEU 69 N 1.99 0.38 -0.01 5.38 -0.00 -1.07 -5.02 118.68 120.32 1y9j s LEU 69 Ca 0.02 -0.92 -0.25 0.00 -0.00 0.00 0.00 54.13 52.98 1y9j s LEU 69 Cb -0.12 1.70 -0.04 0.00 -0.00 0.00 0.00 46.19 47.73 1y9j s LEU 69 CO -0.03 -1.11 0.79 -0.76 -0.00 0.00 0.00 176.35 175.23 1y9j s LEU 70 N -3.01 4.37 0.58 1.48 1.43 -1.26 -2.77 118.68 119.50 1y9j s LEU 70 Ca 0.22 1.38 0.28 0.00 -1.03 0.00 0.00 54.13 54.99 1y9j s LEU 70 Cb -0.00 -3.24 1.51 0.00 0.03 0.00 0.00 46.19 44.48 1y9j s LEU 70 CO 0.08 -0.11 1.96 -0.07 0.23 0.00 0.00 176.35 178.45 1y9j h LEU 71 N 6.41 0.00 -3.32 1.79 4.07 -1.88 0.16 115.31 122.53 1y9j h LEU 71 Ca -0.42 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.24 1y9j h LEU 71 Cb 1.20 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.81 1y9j h LEU 71 CO 0.74 0.00 0.38 1.57 -1.08 0.00 0.00 178.44 180.05 1y9j n HIS 72 N -3.86 1.50 -3.87 1.13 -0.00 -1.26 -4.87 115.22 104.00 1y9j n HIS 72 Ca 0.07 -1.73 -0.09 0.00 0.46 0.00 0.00 57.72 56.43 1y9j n HIS 72 Cb 0.59 -0.85 -0.05 0.00 -0.12 0.00 0.00 29.99 29.56 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1y9j s SER 73 N 0.12 -0.13 -0.26 0.26 1.04 0.55 -5.10 113.70 110.17 1y9j s SER 73 Ca 0.30 -0.70 -0.28 0.00 0.48 0.00 0.00 55.95 55.75 1y9j s SER 73 Cb 0.24 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1y9j s SER 73 CO 0.01 -1.04 2.13 -1.81 0.98 0.00 0.00 173.24 173.52 1y9j s ASP 74 N -2.94 5.50 0.41 7.02 1.11 -1.26 -4.88 116.67 121.64 1y9j s ASP 74 Ca 0.15 1.72 -0.10 0.00 0.18 0.00 0.00 52.55 54.49 1y9j s ASP 74 Cb 0.00 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.42 1y9j s ASP 74 CO 0.01 -1.95 0.77 -0.13 1.18 0.00 0.00 175.17 175.05 1y9j s ARG 75 N 6.29 3.77 0.05 8.23 0.52 -1.26 -4.99 118.95 131.55 1y9j s ARG 75 Ca 0.96 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.63 1y9j s ARG 75 Cb -0.30 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1y9j s ARG 75 CO 0.34 -0.05 0.17 -0.51 0.02 0.00 0.00 175.30 175.27 1y9j s ASP 76 N -3.21 6.15 -0.46 0.23 1.01 -1.26 -5.07 116.67 114.06 1y9j s ASP 76 Ca 0.51 0.22 -0.25 0.00 0.71 0.00 0.00 52.55 53.74 1y9j s ASP 76 Cb -0.10 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 42.01 1y9j s ASP 76 CO 0.32 0.19 0.90 -2.16 0.21 0.00 0.00 175.17 174.64 1y9j s PRO 77 N -2.33 3.51 -0.43 8.23 0.04 -1.26 -4.80 135.00 137.95 1y9j s PRO 77 Ca 0.32 0.11 0.10 0.00 0.04 0.00 0.00 61.00 61.57 1y9j s PRO 77 Cb -0.13 -3.93 0.37 0.00 0.04 0.00 0.00 34.50 30.85 1y9j s PRO 77 CO 0.24 -1.21 0.86 -0.89 0.04 0.00 0.00 177.00 176.05 1y9j n ILE 78 N 6.37 1.21 0.34 0.56 -0.00 0.62 -4.90 119.36 123.55 1y9j n ILE 78 Ca 0.05 -4.71 0.23 0.00 -0.00 0.00 0.00 62.75 58.32 1y9j n ILE 78 Cb 0.48 -0.57 1.20 0.00 -0.00 0.00 0.00 39.64 40.76 1y9j n ILE 78 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1y9j h ARG 79 N 2.96 0.00 -0.72 0.38 -0.00 0.23 -1.74 114.38 115.48 1y9j h ARG 79 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.08 1y9j h ARG 79 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.82 1y9j h ARG 79 CO 0.63 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 177.13 1y9j n ASP 80 N -3.08 2.95 -3.74 0.08 2.03 -1.26 -2.66 116.55 110.87 1y9j n ASP 80 Ca -0.03 -2.35 -0.12 0.00 0.52 0.00 0.00 54.79 52.81 1y9j n ASP 80 Cb 0.08 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.85 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1y9j s VAL 81 N -1.77 -0.01 0.16 5.18 1.01 -0.65 -4.98 120.40 119.34 1y9j s VAL 81 Ca 0.25 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1y9j s VAL 81 Cb 0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 1y9j s VAL 81 CO 0.09 0.02 1.66 -2.84 0.00 0.00 0.00 175.10 174.02 1y9j s PRO 82 N 0.59 4.18 0.40 2.72 0.02 -1.26 -2.46 135.00 139.19 1y9j s PRO 82 Ca -0.03 2.46 0.08 0.00 0.02 0.00 0.00 61.00 63.52 1y9j s PRO 82 Cb -0.05 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1y9j s PRO 82 CO -0.04 -0.69 0.37 0.00 -0.33 0.00 0.00 177.00 176.31 1y9j s ALA 83 N 1.55 4.04 -0.01 -1.55 0.00 -1.08 -0.19 121.76 124.52 1y9j s ALA 83 Ca 0.73 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1y9j s ALA 83 Cb -0.45 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1y9j s ALA 83 CO 0.32 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 175.96 1y9j s VAL 84 N -2.42 0.31 -0.63 0.00 1.01 0.31 -0.55 120.40 118.44 1y9j s VAL 84 Ca 0.47 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1y9j s VAL 84 Cb -0.04 -0.30 0.18 0.00 0.00 0.00 0.00 36.38 36.22 1y9j s VAL 84 CO 0.28 0.12 0.49 -1.22 0.00 0.00 0.00 175.10 174.77 1y9j n TYR 85 N 3.34 2.31 -2.73 5.22 4.02 0.33 0.33 117.16 129.99 1y9j n TYR 85 Ca -0.17 -4.06 -0.43 0.00 -0.01 0.00 0.00 57.90 53.23 1y9j n TYR 85 Cb 0.56 -0.43 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 1y9j n TYR 85 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1y9j s PHE 86 N -1.26 2.86 0.29 -0.72 5.36 0.01 -0.80 117.98 123.71 1y9j s PHE 86 Ca 0.29 -1.24 0.04 0.00 -0.96 0.00 0.00 56.93 55.06 1y9j s PHE 86 Cb 0.00 -4.52 -0.03 0.00 -0.34 0.00 0.00 43.02 38.14 1y9j s PHE 86 CO -0.16 -1.71 0.25 0.14 -1.46 0.00 0.00 175.22 172.28 1y9j s VAL 87 N 3.76 0.00 0.24 3.12 -7.23 0.11 -3.65 120.40 116.75 1y9j s VAL 87 Ca 0.42 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 1y9j s VAL 87 Cb -0.02 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.33 1y9j s VAL 87 CO -0.07 0.00 0.83 -0.32 -0.31 0.00 0.00 175.10 175.23 1y9j s MET 88 N -3.64 4.51 -0.05 4.82 1.75 -1.26 -2.52 119.30 122.90 1y9j s MET 88 Ca 0.39 1.16 -0.03 0.00 -1.25 0.00 0.00 55.69 55.96 1y9j s MET 88 Cb 0.04 -3.01 -0.10 0.00 2.84 0.00 0.00 34.83 34.59 1y9j s MET 88 CO 0.22 0.43 2.80 -0.35 -0.65 0.00 0.00 175.02 177.47 1y9j n PRO 89 N 1.02 1.61 -2.25 4.11 -0.04 -1.26 -4.59 135.00 133.61 1y9j n PRO 89 Ca -0.02 -0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 62.38 1y9j n PRO 89 Cb 0.50 -1.58 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1y9j n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9j s THR 90 N 0.13 4.20 0.28 0.52 -4.23 -1.26 -4.74 115.64 110.53 1y9j s THR 90 Ca 0.37 1.06 -0.03 0.00 -1.18 0.00 0.00 61.69 61.91 1y9j s THR 90 Cb 0.19 -3.57 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1y9j s THR 90 CO -0.02 -0.60 1.60 -0.33 -0.54 0.00 0.00 174.62 174.74 1y9j h GLU 91 N 0.72 0.06 -0.04 3.99 5.08 -2.00 0.91 114.58 123.30 1y9j h GLU 91 Ca -0.47 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 1y9j h GLU 91 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1y9j h GLU 91 CO 0.60 0.04 -0.38 1.05 -1.00 0.00 0.00 179.01 179.32 1y9j h GLU 92 N 0.07 0.09 -0.08 2.33 9.09 -1.95 -2.90 114.58 121.22 1y9j h GLU 92 Ca 0.50 -0.04 -0.20 0.00 0.05 0.00 0.00 59.36 59.68 1y9j h GLU 92 Cb 0.96 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.06 1y9j h GLU 92 CO -0.80 0.45 -0.77 -0.91 0.05 0.00 0.00 179.01 177.04 1y9j h ASN 93 N 0.07 0.58 -0.32 3.06 2.35 0.44 -2.80 115.58 118.98 1y9j h ASN 93 Ca 0.01 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1y9j h ASN 93 Cb 0.71 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1y9j h ASN 93 CO 0.05 1.16 0.16 0.40 -1.65 0.00 0.00 177.43 177.55 1y9j h ILE 94 N 0.32 1.13 -0.08 2.81 1.08 -0.56 -0.44 117.51 121.77 1y9j h ILE 94 Ca -0.04 -0.38 -0.12 0.00 -0.39 0.00 0.00 64.86 63.93 1y9j h ILE 94 Cb 1.37 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1y9j h ILE 94 CO 0.14 0.15 -0.48 0.44 -0.69 0.00 0.00 178.15 177.71 1y9j h ASP 95 N 0.50 0.22 -0.63 1.72 3.32 -1.39 -2.91 116.42 117.25 1y9j h ASP 95 Ca 0.13 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1y9j h ASP 95 Cb 0.07 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1y9j h ASP 95 CO -0.02 0.67 0.13 0.03 -1.72 0.00 0.00 179.24 178.33 1y9j h ARG 96 N 0.17 1.02 -0.26 3.56 3.08 -0.83 0.13 114.38 121.24 1y9j h ARG 96 Ca 0.01 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1y9j h ARG 96 Cb 0.91 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1y9j h ARG 96 CO 0.07 0.94 0.17 -0.07 -1.07 0.00 0.00 179.97 180.01 1y9j h LEU 97 N 0.94 0.31 -1.42 3.04 -0.00 -1.26 0.34 115.31 117.26 1y9j h LEU 97 Ca 0.20 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.99 1y9j h LEU 97 Cb 0.39 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1y9j h LEU 97 CO 0.01 0.25 -0.29 0.00 -0.00 0.00 0.00 178.44 178.40 1y9j h GLN 99 N 0.00 0.21 0.11 0.00 1.08 0.20 -2.88 115.11 113.84 1y9j h GLN 99 Ca -0.00 -0.19 -0.27 0.00 -1.45 0.00 0.00 58.65 56.74 1y9j h GLN 99 Cb 0.56 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1y9j h GLN 99 CO 0.04 0.86 -1.20 0.38 -0.95 0.00 0.00 178.83 177.96 1y9j h ASP 100 N -0.37 0.48 -0.26 1.46 3.04 -0.21 -2.64 116.42 117.91 1y9j h ASP 100 Ca -0.02 -0.48 -0.02 0.00 -3.24 0.00 0.00 57.03 53.27 1y9j h ASP 100 Cb 0.92 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 39.04 1y9j h ASP 100 CO 0.05 1.36 0.12 -0.07 -2.04 0.00 0.00 179.24 178.65 1y9j h LEU 101 N 0.11 0.40 0.10 0.15 3.38 0.67 -1.84 115.31 118.28 1y9j h LEU 101 Ca -0.13 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.52 1y9j h LEU 101 Cb 1.91 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1y9j h LEU 101 CO 0.20 0.38 -1.33 0.03 0.09 0.00 0.00 178.44 177.81 1y9j h ARG 102 N 0.45 0.22 0.00 1.13 2.47 -1.55 -3.25 114.38 113.84 1y9j h ARG 102 Ca 0.11 -0.38 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1y9j h ARG 102 Cb 0.11 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1y9j h ARG 102 CO -0.01 1.13 -0.05 -0.91 0.56 0.00 0.00 179.97 180.69 1y9j h ASN 103 N 0.06 0.00 -4.89 7.04 2.35 -1.04 -3.47 115.58 115.63 1y9j h ASN 103 Ca -0.16 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.19 1y9j h ASN 103 Cb 1.97 0.00 0.09 0.00 0.05 0.00 0.00 38.32 40.43 1y9j h ASN 103 CO 0.18 0.05 -0.62 0.00 -1.65 0.00 0.00 177.43 175.39 1y9j n GLN 104 N -3.30 -5.99 -0.09 0.81 1.13 -0.74 -4.90 117.38 104.31 1y9j n GLN 104 Ca -0.01 0.86 -0.07 0.00 -1.94 0.00 0.00 57.00 55.83 1y9j n GLN 104 Cb 0.22 -5.74 0.00 0.00 0.11 0.00 0.00 30.24 24.84 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1y9j h LEU 105 N -1.87 0.18 -8.85 1.08 3.38 -1.88 -3.39 115.31 103.96 1y9j h LEU 105 Ca -0.53 0.02 -0.42 0.00 0.09 0.00 0.00 57.88 57.04 1y9j h LEU 105 Cb 1.36 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.96 1y9j h LEU 105 CO 0.55 0.14 -0.72 -0.31 0.09 0.00 0.00 178.44 178.19 1y9j s TYR 106 N -6.16 1.61 0.01 1.13 1.51 -1.26 0.23 117.35 114.41 1y9j s TYR 106 Ca -0.13 -0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 55.04 1y9j s TYR 106 Cb 0.11 -0.78 -0.18 0.00 -0.11 0.00 0.00 41.96 41.00 1y9j s TYR 106 CO 0.71 0.26 1.33 1.49 -1.11 0.00 0.00 175.55 178.23 1y9j h GLU 107 N 2.59 0.10 -6.31 -0.62 4.57 -1.25 -3.44 114.58 110.22 1y9j h GLU 107 Ca -0.38 -0.05 -0.48 0.00 -1.18 0.00 0.00 59.36 57.27 1y9j h GLU 107 Cb 1.21 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1y9j h GLU 107 CO 0.63 0.52 -0.28 -1.12 -1.18 0.00 0.00 179.01 177.58 1y9j s SER 108 N -5.77 5.19 -0.43 1.04 0.01 -1.26 -3.68 113.70 108.81 1y9j s SER 108 Ca -0.15 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.46 1y9j s SER 108 Cb 0.03 -0.30 0.31 0.00 0.21 0.00 0.00 66.02 66.27 1y9j s SER 108 CO 0.70 -0.88 0.89 -1.22 0.41 0.00 0.00 173.24 173.14 1y9j n TYR 109 N -1.80 -1.67 -1.56 2.43 4.02 -0.06 -2.63 117.16 115.90 1y9j n TYR 109 Ca 0.07 -2.79 -0.13 0.00 -0.01 0.00 0.00 57.90 55.03 1y9j n TYR 109 Cb 0.61 0.73 -0.09 0.00 -0.02 0.00 0.00 39.34 40.58 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1y9j n TYR 110 N 0.64 1.06 -2.63 -0.72 4.19 0.29 -2.94 117.16 117.05 1y9j n TYR 110 Ca 0.14 -0.05 -0.33 0.00 3.31 0.00 0.00 57.90 60.97 1y9j n TYR 110 Cb 0.66 -2.52 -0.05 0.00 0.49 0.00 0.00 39.34 37.92 1y9j n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1y9j s LEU 111 N 14.69 3.85 -0.24 2.98 1.43 0.12 0.12 118.68 141.64 1y9j s LEU 111 Ca 0.91 1.79 -0.03 0.00 -1.03 0.00 0.00 54.13 55.78 1y9j s LEU 111 Cb -0.14 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.66 1y9j s LEU 111 CO 0.12 -0.61 0.37 0.21 0.23 0.00 0.00 176.35 176.67 1y9j s ASN 112 N -2.19 0.28 0.02 2.29 2.47 0.02 0.27 114.94 118.10 1y9j s ASN 112 Ca 0.64 0.23 -0.22 0.00 0.42 0.00 0.00 52.86 53.93 1y9j s ASN 112 Cb -0.13 1.09 -0.05 0.00 -1.45 0.00 0.00 41.25 40.71 1y9j s ASN 112 CO 0.19 -0.30 0.64 -0.36 -3.72 0.00 0.00 177.10 173.55 1y9j s PHE 113 N 2.54 3.71 0.11 0.43 0.08 -1.21 0.08 117.98 123.72 1y9j s PHE 113 Ca 0.12 1.29 0.02 0.00 0.12 0.00 0.00 56.93 58.47 1y9j s PHE 113 Cb -0.15 -2.67 -0.19 0.00 -0.57 0.00 0.00 43.02 39.45 1y9j s PHE 113 CO -0.15 0.34 1.25 0.82 -0.10 0.00 0.00 175.22 177.38 1y9j h ILE 114 N 4.08 1.58 -5.02 0.64 1.08 -1.83 -3.36 117.51 114.69 1y9j h ILE 114 Ca -0.45 -3.09 -0.37 0.00 -0.39 0.00 0.00 64.86 60.56 1y9j h ILE 114 Cb 1.20 2.79 -0.04 0.00 -3.07 0.00 0.00 36.82 37.70 1y9j h ILE 114 CO 0.70 0.89 -0.20 -0.24 -0.69 0.00 0.00 178.15 178.61 1y9j n SER 115 N -3.50 2.28 -4.48 1.72 2.88 -1.26 -1.74 113.62 109.53 1y9j n SER 115 Ca -0.04 -2.22 -0.43 0.00 -1.33 0.00 0.00 58.87 54.85 1y9j n SER 115 Cb 0.94 0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.41 1y9j n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y9j s ALA 116 N -2.50 3.16 0.78 -1.46 0.00 -1.26 -4.79 121.76 115.69 1y9j s ALA 116 Ca 0.14 -2.48 -0.11 0.00 0.00 0.00 0.00 51.96 49.51 1y9j s ALA 116 Cb -0.01 -4.14 0.06 0.00 0.00 0.00 0.00 23.12 19.03 1y9j s ALA 116 CO 0.09 -3.12 1.09 -1.50 0.00 0.00 0.00 175.76 172.32 1y9j s ILE 117 N 3.51 3.30 0.28 0.00 2.07 -1.26 -5.06 121.20 124.04 1y9j s ILE 117 Ca 0.34 0.42 0.08 0.00 -1.41 0.00 0.00 60.65 60.09 1y9j s ILE 117 Cb -0.05 -2.95 -0.04 0.00 0.13 0.00 0.00 42.46 39.55 1y9j s ILE 117 CO -0.06 -0.55 0.15 -0.44 -1.91 0.00 0.00 174.94 172.12 1y9j s SER 118 N -3.46 5.09 0.35 4.50 0.01 -1.26 -4.96 113.70 113.97 1y9j s SER 118 Ca 0.61 -0.47 0.08 0.00 1.31 0.00 0.00 55.95 57.47 1y9j s SER 118 Cb -0.17 -1.08 0.78 0.00 0.21 0.00 0.00 66.02 65.76 1y9j s SER 118 CO 0.56 -0.12 1.89 0.08 0.41 0.00 0.00 173.24 176.06 1y9j h ARG 119 N 1.57 0.71 0.85 12.44 0.11 -1.97 0.57 114.38 128.66 1y9j h ARG 119 Ca -0.46 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.54 1y9j h ARG 119 Cb 1.25 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1y9j h ARG 119 CO 0.61 0.47 -0.48 0.66 0.10 0.00 0.00 179.97 181.32 1y9j h SER 120 N 0.73 -1.20 0.20 0.08 4.64 -1.99 0.29 113.55 116.30 1y9j h SER 120 Ca 0.42 0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 1y9j h SER 120 Cb 0.59 0.34 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1y9j h SER 120 CO -0.18 -0.76 -0.33 0.11 -0.87 0.00 0.00 176.83 174.79 1y9j h LYS 121 N -1.23 0.20 0.56 4.77 1.57 -1.87 -2.94 116.57 117.61 1y9j h LYS 121 Ca -0.11 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1y9j h LYS 121 Cb 0.98 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1y9j h LYS 121 CO 0.14 0.51 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.19 1y9j h LEU 122 N 0.17 -0.63 -1.60 2.94 3.38 0.36 -2.58 115.31 117.35 1y9j h LEU 122 Ca 0.02 -0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.21 1y9j h LEU 122 Cb 0.67 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1y9j h LEU 122 CO 0.05 -0.34 0.67 -0.33 0.09 0.00 0.00 178.44 178.58 1y9j h GLU 123 N -0.92 0.27 -0.63 1.13 5.08 -0.40 0.86 114.58 119.97 1y9j h GLU 123 Ca -0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1y9j h GLU 123 Cb 0.63 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1y9j h GLU 123 CO 0.13 0.18 0.36 -0.44 -1.00 0.00 0.00 179.01 178.24 1y9j h ASP 124 N 0.28 0.75 0.22 1.42 5.19 -1.29 -0.90 116.42 122.10 1y9j h ASP 124 Ca 0.52 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1y9j h ASP 124 Cb 1.54 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.86 1y9j h ASP 124 CO -0.17 0.59 -0.11 0.40 -3.12 0.00 0.00 179.24 176.83 1y9j h ILE 125 N 0.86 0.84 -0.93 0.35 1.08 1.00 0.22 117.51 120.92 1y9j h ILE 125 Ca 0.22 -0.73 0.15 0.00 -0.39 0.00 0.00 64.86 64.12 1y9j h ILE 125 Cb -0.01 1.24 -0.10 0.00 -3.07 0.00 0.00 36.82 34.88 1y9j h ILE 125 CO -0.04 0.15 0.54 0.00 -0.69 0.00 0.00 178.15 178.11 1y9j h ALA 126 N -0.05 1.45 -0.06 1.87 0.00 -1.15 0.46 119.26 121.78 1y9j h ALA 126 Ca -0.03 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1y9j h ALA 126 Cb 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y9j h ALA 126 CO 0.05 0.00 -0.70 -0.91 0.00 0.00 0.00 179.25 177.69 1y9j h ASN 127 N 0.76 0.34 -0.91 0.00 2.35 -1.13 -2.22 115.58 114.77 1y9j h ASN 127 Ca 0.50 -0.22 0.21 0.00 -0.55 0.00 0.00 56.30 56.25 1y9j h ASN 127 Cb 0.68 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1y9j h ASN 127 CO -0.34 0.93 0.60 0.00 -1.65 0.00 0.00 177.43 176.97 1y9j h ALA 128 N 1.06 2.28 0.15 -0.83 0.00 0.13 -0.57 119.26 121.47 1y9j h ALA 128 Ca -0.02 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1y9j h ALA 128 Cb 1.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1y9j h ALA 128 CO 0.11 -0.57 -1.29 0.00 0.00 0.00 0.00 179.25 177.51 1y9j h ALA 129 N 1.61 0.06 -0.85 0.00 0.00 -1.30 -3.32 119.26 115.46 1y9j h ALA 129 Ca 0.47 -0.96 0.25 0.00 0.00 0.00 0.00 54.91 54.67 1y9j h ALA 129 Cb 1.24 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1y9j h ALA 129 CO -0.16 0.71 0.73 -0.07 0.00 0.00 0.00 179.25 180.45 1y9j h LEU 130 N -0.23 0.00 -1.16 0.00 3.38 -0.50 1.20 115.31 118.00 1y9j h LEU 130 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1y9j h LEU 130 Cb 1.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 1y9j h LEU 130 CO 0.12 0.00 -0.40 0.00 0.09 0.00 0.00 178.44 178.26 1y9j h ALA 131 N 1.35 1.30 0.00 1.53 0.00 -1.45 -3.14 119.26 118.84 1y9j h ALA 131 Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1y9j h ALA 131 Cb 1.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1y9j h ALA 131 CO -0.00 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 1y9j n ALA 132 N -2.47 2.09 -2.96 0.00 0.00 0.29 -4.98 120.51 112.48 1y9j n ALA 132 Ca -0.02 -1.90 -0.15 0.00 0.00 0.00 0.00 53.44 51.37 1y9j n ALA 132 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1y9j n ALA 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1y9j n ASN 133 N -0.94 -2.80 -4.75 0.00 0.23 0.34 -4.89 115.26 102.45 1y9j n ASN 133 Ca 0.09 -0.04 -0.40 0.00 -0.53 0.00 0.00 54.58 53.69 1y9j n ASN 133 Cb 0.54 -2.40 -0.05 0.00 -2.08 0.00 0.00 39.78 35.79 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y9j s ALA 134 N -2.60 3.34 -0.47 -2.53 0.00 -0.88 -4.97 121.76 113.66 1y9j s ALA 134 Ca 0.21 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1y9j s ALA 134 Cb -0.12 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1y9j s ALA 134 CO 0.26 0.08 1.46 0.08 0.00 0.00 0.00 175.76 177.64 1y9j s VAL 135 N -0.94 3.81 0.19 0.00 1.01 -1.24 -4.68 120.40 118.54 1y9j s VAL 135 Ca 0.43 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.28 1y9j s VAL 135 Cb -0.27 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1y9j s VAL 135 CO 0.34 -0.88 -0.21 0.42 0.00 0.00 0.00 175.10 174.77 1y9j s THR 136 N 5.93 2.13 -0.28 3.92 -4.23 -1.26 -0.88 115.64 120.97 1y9j s THR 136 Ca 0.60 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.02 1y9j s THR 136 Cb -0.13 -2.02 0.13 0.00 1.34 0.00 0.00 72.50 71.82 1y9j s THR 136 CO 0.30 -0.22 0.59 0.00 -0.54 0.00 0.00 174.62 174.75 1y9j s GLN 137 N -2.78 0.52 -0.43 3.99 -2.07 -1.15 -4.96 119.66 112.79 1y9j s GLN 137 Ca 0.19 1.29 -0.23 0.00 -1.82 0.00 0.00 55.36 54.79 1y9j s GLN 137 Cb -0.07 0.69 0.02 0.00 -1.09 0.00 0.00 33.01 32.56 1y9j s GLN 137 CO 0.09 -0.29 0.76 0.08 -1.32 0.00 0.00 175.29 174.61 1y9j s VAL 138 N 2.83 4.70 1.09 3.63 1.01 -1.26 0.15 120.40 132.55 1y9j s VAL 138 Ca -0.01 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 1y9j s VAL 138 Cb -0.13 -4.27 0.26 0.00 0.00 0.00 0.00 36.38 32.24 1y9j s VAL 138 CO -0.18 -0.62 1.27 0.00 0.00 0.00 0.00 175.10 175.57 1y9j n ALA 139 N 6.56 -2.27 -1.36 5.51 0.00 0.14 -4.97 120.51 124.14 1y9j n ALA 139 Ca 0.02 -1.73 -0.30 0.00 0.00 0.00 0.00 53.44 51.43 1y9j n ALA 139 Cb 0.48 -0.10 0.12 0.00 0.00 0.00 0.00 19.45 19.96 1y9j n ALA 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y9j s LYS 140 N -5.81 1.50 0.10 0.00 1.02 -1.26 -4.36 119.74 110.93 1y9j s LYS 140 Ca 0.75 0.69 0.02 0.00 0.02 0.00 0.00 55.97 57.46 1y9j s LYS 140 Cb -0.04 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1y9j s LYS 140 CO 0.55 -2.04 0.16 0.08 -0.92 0.00 0.00 175.35 173.18 1y9j s VAL 141 N -3.04 4.90 -0.00 3.17 1.01 -1.26 -4.38 120.40 120.80 1y9j s VAL 141 Ca 0.63 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1y9j s VAL 141 Cb -0.16 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1y9j s VAL 141 CO 0.56 0.06 0.00 2.22 0.00 0.00 0.00 175.10 177.93 1y9j n PHE 142 N 0.12 0.00 -0.40 5.22 1.16 -1.26 -4.67 117.46 117.63 1y9j n PHE 142 Ca -0.07 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.57 1y9j n PHE 142 Cb 0.52 -0.00 0.31 0.00 -1.61 0.00 0.00 39.48 38.70 1y9j n PHE 142 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1y9j n ASP 143 N -1.98 4.52 0.17 5.98 9.92 -0.71 -4.23 116.55 130.22 1y9j n ASP 143 Ca -0.00 -2.65 0.04 0.00 -0.53 0.00 0.00 54.79 51.64 1y9j n ASP 143 Cb 0.48 -0.62 0.28 0.00 -0.64 0.00 0.00 41.12 40.62 1y9j n ASP 143 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1y9j h GLN 144 N 3.11 0.00 0.00 -1.24 4.15 -1.64 -3.29 115.11 116.20 1y9j h GLN 144 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1y9j h GLN 144 Cb 1.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.24 1y9j h GLN 144 CO 0.35 0.45 -1.56 2.48 -1.93 0.00 0.00 178.83 178.62 1y9j n TYR 145 N -3.60 0.00 -4.22 3.99 4.11 -1.26 -4.78 117.16 111.40 1y9j n TYR 145 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.78 1y9j n TYR 145 Cb 0.55 -0.34 -0.03 0.00 -0.00 0.00 0.00 39.34 39.51 1y9j n TYR 145 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 1y9j n LEU 146 N -2.07 0.00 0.00 -3.48 -0.00 -1.24 -5.23 117.00 104.98 1y9j n LEU 146 Ca -0.08 -1.41 0.00 0.00 -0.00 0.00 0.00 56.01 54.52 1y9j n LEU 146 Cb 0.50 0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 1y9j n LEU 146 CO 0.22 -0.22 0.00 -3.20 -0.00 0.00 0.00 177.39 174.19