#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 0.13 0.49 0.00 0.02 -2.06 -1.95 113.55 110.17 1y9j h SER 9 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1y9j h SER 9 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1y9j h SER 9 CO 0.00 0.18 -0.23 0.40 -1.14 0.00 0.00 176.83 176.03 1y9j h ILE 10 N 0.15 0.00 -0.86 3.27 1.08 -2.02 -3.04 117.51 116.09 1y9j h ILE 10 Ca 0.04 -0.50 0.25 0.00 -0.39 0.00 0.00 64.86 64.26 1y9j h ILE 10 Cb 0.13 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 1y9j h ILE 10 CO 0.00 0.00 0.69 -0.09 -0.69 0.00 0.00 178.15 178.06 1y9j h ARG 11 N -1.15 0.00 0.24 2.37 9.65 -1.97 0.68 114.38 124.19 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 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1y9j h ARG 11 CO 0.11 0.00 -0.11 0.93 2.80 0.00 0.00 179.97 183.70 1y9j h GLU 12 N 0.00 -0.31 -0.97 0.20 5.08 -1.31 -2.58 114.58 114.70 1y9j h GLU 12 Ca 0.41 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.04 1y9j h GLU 12 Cb 1.79 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 31.04 1y9j h GLU 12 CO -0.00 -0.09 0.65 0.00 -1.00 0.00 0.00 179.01 178.56 1y9j h ARG 13 N -0.47 0.29 -0.08 2.33 3.08 -0.74 0.86 114.38 119.63 1y9j h ARG 13 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1y9j h ARG 13 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1y9j h ARG 13 CO 0.05 0.19 -0.00 1.96 -1.07 0.00 0.00 179.97 181.10 1y9j h GLN 14 N 0.30 0.02 0.00 0.04 4.20 -1.30 -2.18 115.11 116.18 1y9j h GLN 14 Ca 0.51 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.13 1y9j h GLN 14 Cb 1.47 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 1y9j h GLN 14 CO -0.17 0.02 -0.42 1.79 -0.67 0.00 0.00 178.83 179.38 1y9j h THR 15 N 0.03 1.24 -0.12 -0.54 1.35 -0.79 -3.00 112.91 111.09 1y9j h THR 15 Ca 0.04 -1.46 0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1y9j h THR 15 Cb 0.05 1.80 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 1y9j h THR 15 CO -0.07 0.41 -0.39 0.58 -0.25 0.00 0.00 175.52 175.80 1y9j h VAL 16 N 0.00 0.18 -0.56 6.82 2.07 -0.51 0.91 116.25 125.16 1y9j h VAL 16 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1y9j h VAL 16 Cb 0.77 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1y9j h VAL 16 CO 0.05 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.92 1y9j h ALA 17 N 0.18 0.72 0.28 1.67 0.00 -1.53 -2.60 119.26 117.99 1y9j h ALA 17 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y9j h ALA 17 Cb 0.61 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y9j h ALA 17 CO -0.38 0.28 -0.17 -0.07 0.00 0.00 0.00 179.25 178.91 1y9j h LEU 18 N 0.76 -0.44 -1.84 0.00 3.38 -1.15 0.24 115.31 116.26 1y9j h LEU 18 Ca 0.19 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.51 1y9j h LEU 18 Cb 0.11 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1y9j h LEU 18 CO -0.02 -0.27 0.91 0.11 0.09 0.00 0.00 178.44 179.25 1y9j h LYS 19 N -0.43 0.00 0.07 1.13 1.57 0.77 0.51 116.57 120.20 1y9j h LYS 19 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1y9j h LYS 19 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1y9j h LYS 19 CO 0.04 0.00 -0.03 -0.09 -0.57 0.00 0.00 179.45 178.80 1y9j h ARG 20 N 0.00 -0.09 -0.61 3.15 2.43 -1.04 -3.06 114.38 115.16 1y9j h ARG 20 Ca 0.53 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.65 1y9j h ARG 20 Cb 2.33 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.88 1y9j h ARG 20 CO -0.01 0.45 0.16 0.00 -1.51 0.00 0.00 179.97 179.07 1y9j h MET 21 N -0.92 0.98 0.00 0.20 -0.00 0.11 1.47 114.93 116.77 1y9j h MET 21 Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 59.70 59.46 1y9j h MET 21 Cb 0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1y9j h MET 21 CO 0.02 0.88 0.00 -0.07 -0.00 0.00 0.00 176.91 177.74 1y9j h LEU 22 N 0.89 0.00 -0.22 -0.10 3.38 -0.21 -2.75 115.31 116.30 1y9j h LEU 22 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y9j h LEU 22 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1y9j h LEU 22 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1y9j n ASN 23 N -2.38 0.22 -4.54 -0.43 3.02 -0.85 -4.90 115.26 105.40 1y9j n ASN 23 Ca -0.00 -0.57 -0.32 0.00 -0.03 0.00 0.00 54.58 53.66 1y9j n ASN 23 Cb 0.14 0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 39.85 1y9j n ASN 23 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1y9j n PHE 24 N -0.62 1.12 -2.69 3.10 7.35 0.50 -4.86 117.46 121.36 1y9j n PHE 24 Ca 0.00 0.14 -0.42 0.00 -0.76 0.00 0.00 57.45 56.41 1y9j n PHE 24 Cb 0.01 -2.45 -0.03 0.00 0.35 0.00 0.00 39.48 37.36 1y9j n PHE 24 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1y9j s ASN 25 N 10.62 6.40 0.33 -2.13 2.20 -1.26 -5.00 114.94 126.10 1y9j s ASN 25 Ca 1.07 -1.29 -0.04 0.00 -0.94 0.00 0.00 52.86 51.66 1y9j s ASN 25 Cb -0.42 -2.50 -0.05 0.00 -2.00 0.00 0.00 41.25 36.29 1y9j s ASN 25 CO 0.29 -1.47 0.59 0.68 -2.94 0.00 0.00 177.10 174.25 1y9j s VAL 26 N 4.47 5.02 -0.96 3.54 -7.23 -1.26 -4.93 120.40 119.05 1y9j s VAL 26 Ca 0.36 -0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.29 1y9j s VAL 26 Cb -0.06 -3.78 -0.26 0.00 0.56 0.00 0.00 36.38 32.84 1y9j s VAL 26 CO -0.01 -0.45 2.41 -2.65 -0.31 0.00 0.00 175.10 174.09 1y9j n PRO 27 N -1.32 0.08 -4.38 4.82 -0.02 -1.26 -4.89 135.00 128.04 1y9j n PRO 27 Ca -0.02 -0.05 -0.27 0.00 -2.02 0.00 0.00 63.50 61.15 1y9j n PRO 27 Cb 0.55 -1.48 -0.12 0.00 -0.02 0.00 0.00 33.50 32.42 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1y9j s HIS 28 N 5.26 2.17 0.23 6.00 2.46 -1.26 -5.07 115.29 125.09 1y9j s HIS 28 Ca 1.30 -0.39 -0.30 0.00 0.47 0.00 0.00 55.06 56.15 1y9j s HIS 28 Cb -0.95 -1.13 -0.09 0.00 -0.13 0.00 0.00 32.58 30.28 1y9j s HIS 28 CO 0.49 0.38 0.93 0.08 -2.47 0.00 0.00 174.74 174.15 1y9j s VAL 29 N -1.40 4.11 -0.28 0.89 1.01 -1.26 -5.04 120.40 118.42 1y9j s VAL 29 Ca 0.15 2.06 -0.09 0.00 0.00 0.00 0.00 61.98 64.10 1y9j s VAL 29 Cb -0.09 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1y9j s VAL 29 CO 0.07 0.50 0.12 -0.54 0.00 0.00 0.00 175.10 175.25 1y9j s LYS 30 N -1.14 3.51 -0.22 2.72 1.02 -1.26 -4.95 119.74 119.41 1y9j s LYS 30 Ca 0.41 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1y9j s LYS 30 Cb -0.26 -3.47 -0.19 0.00 -0.52 0.00 0.00 37.83 33.39 1y9j s LYS 30 CO 0.31 -0.31 -0.07 -1.71 -0.92 0.00 0.00 175.35 172.66 1y9j n ASN 31 N 4.96 1.98 -4.12 2.83 2.85 -1.26 -4.78 115.26 117.73 1y9j n ASN 31 Ca -0.15 -0.05 -0.37 0.00 -0.11 0.00 0.00 54.58 53.90 1y9j n ASN 31 Cb 0.50 -0.50 -0.10 0.00 1.24 0.00 0.00 39.78 40.93 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1y9j s SER 32 N -6.63 5.33 0.05 1.20 0.15 -1.26 -5.07 113.70 107.46 1y9j s SER 32 Ca -0.31 -2.64 -0.36 0.00 0.70 0.00 0.00 55.95 53.34 1y9j s SER 32 Cb 0.08 -1.87 -0.15 0.00 -1.71 0.00 0.00 66.02 62.37 1y9j s SER 32 CO 0.65 -0.43 1.51 -2.65 1.20 0.00 0.00 173.24 173.52 1y9j n PRO 33 N 3.79 1.55 -0.36 5.44 -0.02 -1.26 -2.66 135.00 141.48 1y9j n PRO 33 Ca 0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1y9j n PRO 33 Cb 0.39 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1y9j n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9j n GLY 34 N 3.17 1.41 3.23 -1.23 0.00 -1.26 -5.10 105.19 105.41 1y9j n GLY 34 Ca 0.19 -0.20 -0.28 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 -1.26 1.79 0.61 1.61 0.41 -1.09 -5.14 118.70 115.62 1y9j s GLU 35 Ca 0.00 -0.76 -0.09 0.00 -0.41 0.00 0.00 54.97 53.71 1y9j s GLU 35 Cb 0.00 -1.70 0.14 0.00 -1.78 0.00 0.00 34.13 30.79 1y9j s GLU 35 CO 0.00 0.44 0.31 -2.30 -0.49 0.00 0.00 175.26 173.22 1y9j n PRO 36 N 2.63 -1.86 -3.39 0.39 -0.02 -1.26 -4.92 135.00 126.56 1y9j n PRO 36 Ca -0.16 -0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 60.36 1y9j n PRO 36 Cb 0.53 -0.83 -0.06 0.00 -0.02 0.00 0.00 33.50 33.12 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 -1.39 4.93 -0.16 -1.45 1.01 -1.26 -5.05 120.40 117.04 1y9j s VAL 37 Ca 0.24 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 1y9j s VAL 37 Cb -0.04 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1y9j s VAL 37 CO 0.20 -0.86 1.27 0.26 0.00 0.00 0.00 175.10 175.97 1y9j s TRP 38 N 1.30 2.84 -0.03 5.22 0.52 -1.26 -4.84 118.94 122.69 1y9j s TRP 38 Ca 0.06 0.99 0.06 0.00 0.02 0.00 0.00 56.10 57.23 1y9j s TRP 38 Cb -0.26 -3.51 -0.01 0.00 -1.15 0.00 0.00 33.47 28.53 1y9j s TRP 38 CO 0.00 -1.75 -0.21 0.21 0.02 0.00 0.00 176.95 175.22 1y9j s LYS 39 N 3.44 1.84 0.38 4.98 2.20 -0.64 -4.14 119.74 127.80 1y9j s LYS 39 Ca 0.55 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1y9j s LYS 39 Cb -0.22 -1.70 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1y9j s LYS 39 CO 0.15 0.40 0.59 0.08 -0.36 0.00 0.00 175.35 176.21 1y9j s VAL 40 N -0.34 4.73 -0.03 4.02 1.01 0.11 -1.49 120.40 128.41 1y9j s VAL 40 Ca 0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1y9j s VAL 40 Cb -0.10 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1y9j s VAL 40 CO 0.00 -0.49 0.10 -0.22 0.00 0.00 0.00 175.10 174.49 1y9j s LEU 41 N -4.40 1.64 -0.25 3.92 2.96 -0.06 0.14 118.68 122.64 1y9j s LEU 41 Ca 0.43 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1y9j s LEU 41 Cb -0.10 0.36 0.07 0.00 0.50 0.00 0.00 46.19 47.03 1y9j s LEU 41 CO 0.37 -0.08 0.02 -0.63 -1.32 0.00 0.00 176.35 174.71 1y9j s ILE 42 N -0.15 1.09 0.28 6.68 -1.09 0.86 -2.72 121.20 126.17 1y9j s ILE 42 Ca -0.02 -1.14 0.09 0.00 -2.23 0.00 0.00 60.65 57.35 1y9j s ILE 42 Cb -0.02 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 1y9j s ILE 42 CO 0.00 -0.32 0.05 -0.72 -1.23 0.00 0.00 174.94 172.72 1y9j s TYR 43 N 1.57 2.74 0.00 3.97 -0.85 -1.12 -0.86 117.35 122.79 1y9j s TYR 43 Ca 0.01 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.30 1y9j s TYR 43 Cb -0.18 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.83 1y9j s TYR 43 CO -0.12 0.54 0.00 -3.47 -1.52 0.00 0.00 175.55 170.98 1y9j n ASP 44 N -0.99 1.36 -0.33 -0.18 2.03 -1.25 -3.16 116.55 114.04 1y9j n ASP 44 Ca -0.06 -0.95 0.10 0.00 0.52 0.00 0.00 54.79 54.41 1y9j n ASP 44 Cb 0.59 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.27 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1y9j h ARG 45 N 0.00 0.68 0.22 -0.67 -0.00 -1.99 0.26 114.38 112.88 1y9j h ARG 45 Ca 0.00 -0.04 -0.30 0.00 -0.00 0.00 0.00 59.98 59.64 1y9j h ARG 45 Cb 0.00 -0.15 0.03 0.00 -0.00 0.00 0.00 29.97 29.85 1y9j h ARG 45 CO 0.00 0.45 -1.29 0.74 -0.00 0.00 0.00 179.97 179.87 1y9j h PHE 46 N 0.70 0.88 -0.78 4.08 -1.00 -1.95 -2.64 116.94 116.24 1y9j h PHE 46 Ca 0.53 -0.64 0.14 0.00 2.81 0.00 0.00 57.97 60.81 1y9j h PHE 46 Cb 0.78 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 40.22 1y9j h PHE 46 CO -0.05 1.49 0.35 0.78 -1.61 0.00 0.00 178.31 179.28 1y9j h GLY 47 N 0.02 1.21 2.00 -1.45 0.00 -1.39 0.36 103.07 103.81 1y9j h GLY 47 Ca -0.22 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1y9j h GLY 47 CO 0.24 -0.05 -0.53 0.06 0.00 0.00 0.00 176.54 176.26 1y9j h GLN 48 N 0.53 0.00 0.00 4.80 3.07 -0.64 0.21 115.11 123.09 1y9j h GLN 48 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 1y9j h GLN 48 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1y9j h GLN 48 CO -0.37 0.53 0.00 -3.47 0.09 0.00 0.00 178.83 175.61 1y9j n ASP 49 N -3.59 0.17 -0.00 0.06 2.03 0.12 -2.19 116.55 113.14 1y9j n ASP 49 Ca -0.00 0.55 -0.00 0.00 0.52 0.00 0.00 54.79 55.85 1y9j n ASP 49 Cb 0.60 -0.58 -0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1y9j n ILE 50 N -1.69 0.03 -0.11 5.18 5.41 -0.61 -4.58 119.36 122.99 1y9j n ILE 50 Ca 0.03 -0.01 -0.10 0.00 1.00 0.00 0.00 62.75 63.67 1y9j n ILE 50 Cb 0.16 -0.78 -0.02 0.00 -0.71 0.00 0.00 39.64 38.29 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 -0.01 1.21 0.93 1.39 2.10 -0.64 -3.11 117.51 119.38 1y9j h ILE 51 Ca -0.01 -0.69 -0.05 0.00 1.08 0.00 0.00 64.86 65.20 1y9j h ILE 51 Cb 1.02 1.04 0.01 0.00 -1.09 0.00 0.00 36.82 37.80 1y9j h ILE 51 CO -0.00 0.23 -0.45 -1.28 -1.08 0.00 0.00 178.15 175.57 1y9j h SER 52 N 0.37 -1.06 -0.68 2.19 0.87 -1.53 0.91 113.55 114.61 1y9j h SER 52 Ca 0.10 0.04 0.20 0.00 -1.23 0.00 0.00 61.79 60.90 1y9j h SER 52 Cb 0.26 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1y9j h SER 52 CO -0.00 -0.76 0.77 1.55 -0.53 0.00 0.00 176.83 177.86 1y9j h PRO 53 N -1.25 0.00 0.00 2.24 0.13 -1.76 0.52 132.00 131.88 1y9j h PRO 53 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1y9j h PRO 53 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1y9j h PRO 53 CO 0.21 0.00 -0.05 1.28 -0.23 0.00 0.00 178.00 179.21 1y9j n LEU 54 N -3.52 2.04 -3.56 1.56 4.77 -1.02 -5.05 117.00 112.22 1y9j n LEU 54 Ca 0.14 -2.72 -0.07 0.00 -0.03 0.00 0.00 56.01 53.33 1y9j n LEU 54 Cb 1.01 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1y9j n LEU 54 CO 0.26 0.63 0.84 -0.22 -1.33 0.00 0.00 177.39 177.57 1y9j s LEU 55 N -2.35 -0.28 0.42 2.23 0.20 0.31 -5.00 118.68 114.22 1y9j s LEU 55 Ca 0.25 0.13 0.04 0.00 0.69 0.00 0.00 54.13 55.24 1y9j s LEU 55 Cb 0.22 1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 47.68 1y9j s LEU 55 CO 0.02 -0.38 0.15 -0.55 -0.29 0.00 0.00 176.35 175.31 1y9j s SER 56 N -1.85 2.85 0.04 3.68 0.15 -1.26 -3.77 113.70 113.55 1y9j s SER 56 Ca 0.04 -1.73 -0.23 0.00 0.70 0.00 0.00 55.95 54.73 1y9j s SER 56 Cb -0.01 0.60 -0.16 0.00 -1.71 0.00 0.00 66.02 64.74 1y9j s SER 56 CO -0.04 -0.99 1.51 0.58 1.20 0.00 0.00 173.24 175.49 1y9j h VAL 57 N 1.74 1.21 -0.12 4.45 2.07 -1.98 0.19 116.25 123.81 1y9j h VAL 57 Ca -0.34 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1y9j h VAL 57 Cb 1.27 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1y9j h VAL 57 CO 0.53 0.17 -0.36 0.11 0.02 0.00 0.00 177.57 178.04 1y9j h LYS 58 N -0.16 0.25 -0.00 1.57 1.57 -1.99 -2.49 116.57 115.32 1y9j h LYS 58 Ca 0.02 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 1y9j h LYS 58 Cb 0.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1y9j h LYS 58 CO 0.00 0.59 -0.79 0.93 -0.57 0.00 0.00 179.45 179.61 1y9j h GLU 59 N 0.22 0.08 0.07 3.15 4.39 -1.94 -0.90 114.58 119.65 1y9j h GLU 59 Ca 0.02 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1y9j h GLU 59 Cb 0.75 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1y9j h GLU 59 CO 0.06 0.82 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.56 1y9j h LEU 60 N 0.05 -0.27 -0.39 1.33 3.38 -0.18 -0.75 115.31 118.48 1y9j h LEU 60 Ca -0.02 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1y9j h LEU 60 Cb 1.38 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1y9j h LEU 60 CO 0.11 -0.15 -0.30 0.03 0.09 0.00 0.00 178.44 178.22 1y9j h ARG 61 N -0.21 0.00 0.00 1.13 2.47 -1.50 -2.86 114.38 113.41 1y9j h ARG 61 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1y9j h ARG 61 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1y9j h ARG 61 CO -0.05 0.30 0.00 0.22 0.56 0.00 0.00 179.97 180.99 1y9j h ASP 62 N 0.00 0.00 0.76 7.04 3.58 -0.62 -2.97 116.42 124.21 1y9j h ASP 62 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1y9j h ASP 62 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1y9j h ASP 62 CO 0.04 0.00 -1.23 0.23 -2.88 0.00 0.00 179.24 175.40 1y9j n MET 63 N -2.42 0.61 0.00 0.28 2.81 -0.34 -4.96 117.12 113.11 1y9j n MET 63 Ca 0.03 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1y9j n MET 63 Cb 0.34 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y9j n GLY 64 N 1.20 1.40 3.69 3.03 0.00 -1.12 -5.01 105.19 108.37 1y9j n GLY 64 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 5.17 -0.15 -0.61 2.07 -1.09 -1.62 121.20 122.97 1y9j s ILE 65 Ca 0.00 0.87 0.15 0.00 -1.41 0.00 0.00 60.65 60.26 1y9j s ILE 65 Cb 0.00 -3.79 0.06 0.00 0.13 0.00 0.00 42.46 38.86 1y9j s ILE 65 CO 0.00 0.26 1.44 0.00 -1.91 0.00 0.00 174.94 174.73 1y9j h THR 66 N 4.94 0.88 -1.13 4.00 1.03 -1.57 -3.43 112.91 117.63 1y9j h THR 66 Ca -0.37 -2.24 0.18 0.00 -0.01 0.00 0.00 66.41 63.97 1y9j h THR 66 Cb 1.16 2.43 -0.32 0.00 -1.07 0.00 0.00 68.15 70.35 1y9j h THR 66 CO 0.74 0.50 0.79 -0.22 -0.01 0.00 0.00 175.52 177.32 1y9j s LEU 67 N -6.47 -0.11 -0.18 0.00 1.98 -1.26 -4.99 118.68 107.66 1y9j s LEU 67 Ca 0.04 0.19 -0.03 0.00 -2.89 0.00 0.00 54.13 51.45 1y9j s LEU 67 Cb 0.08 1.19 0.06 0.00 0.66 0.00 0.00 46.19 48.17 1y9j s LEU 67 CO 0.75 -0.03 0.03 -1.38 -1.89 0.00 0.00 176.35 173.82 1y9j s HIS 68 N 0.40 0.99 0.20 5.38 -3.43 -1.26 -0.88 115.29 116.70 1y9j s HIS 68 Ca 0.02 -0.78 -0.01 0.00 -0.80 0.00 0.00 55.06 53.49 1y9j s HIS 68 Cb -0.04 -1.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.06 1y9j s HIS 68 CO -0.13 -0.58 0.13 -0.48 -2.00 0.00 0.00 174.74 171.68 1y9j s LEU 69 N 1.87 1.17 -0.04 5.38 -0.00 -1.10 -5.03 118.68 120.93 1y9j s LEU 69 Ca -0.00 -1.39 -0.24 0.00 -0.00 0.00 0.00 54.13 52.49 1y9j s LEU 69 Cb -0.16 0.37 -0.04 0.00 -0.00 0.00 0.00 46.19 46.36 1y9j s LEU 69 CO -0.08 -0.84 0.72 -0.76 -0.00 0.00 0.00 176.35 175.40 1y9j s LEU 70 N -3.17 4.34 0.60 1.48 1.43 -1.26 -2.80 118.68 119.31 1y9j s LEU 70 Ca 0.39 1.25 0.28 0.00 -1.03 0.00 0.00 54.13 55.03 1y9j s LEU 70 Cb 0.07 -3.13 1.43 0.00 0.03 0.00 0.00 46.19 44.59 1y9j s LEU 70 CO 0.12 -0.10 1.84 -0.07 0.23 0.00 0.00 176.35 178.37 1y9j h LEU 71 N 6.57 0.00 -3.65 1.79 4.07 -1.89 0.26 115.31 122.46 1y9j h LEU 71 Ca -0.42 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.09 1y9j h LEU 71 Cb 1.20 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.74 1y9j h LEU 71 CO 0.74 0.00 0.59 1.57 -1.08 0.00 0.00 178.44 180.26 1y9j n HIS 72 N -3.52 2.21 -4.07 1.13 -0.00 -1.26 -4.90 115.22 104.81 1y9j n HIS 72 Ca 0.08 -2.29 -0.14 0.00 0.46 0.00 0.00 57.72 55.83 1y9j n HIS 72 Cb 0.70 -1.11 -0.04 0.00 -0.12 0.00 0.00 29.99 29.42 1y9j n HIS 72 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1y9j n SER 73 N -0.21 -0.98 -4.57 0.26 7.64 0.90 -5.10 113.62 111.56 1y9j n SER 73 Ca 0.43 -2.69 -0.42 0.00 1.01 0.00 0.00 58.87 57.20 1y9j n SER 73 Cb 0.69 1.92 -0.03 0.00 -1.01 0.00 0.00 64.21 65.78 1y9j n SER 73 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1y9j s ASP 74 N -2.88 6.34 0.21 6.43 -4.77 -1.26 -4.95 116.67 115.78 1y9j s ASP 74 Ca 0.28 -0.11 -0.30 0.00 -3.30 0.00 0.00 52.55 49.11 1y9j s ASP 74 Cb -0.00 -2.55 -0.08 0.00 -1.09 0.00 0.00 42.92 39.20 1y9j s ASP 74 CO 0.20 -1.59 0.95 -0.13 0.70 0.00 0.00 175.17 175.30 1y9j s ARG 75 N 5.16 4.81 0.33 2.11 0.52 -1.26 -5.02 118.95 125.59 1y9j s ARG 75 Ca 0.39 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.99 1y9j s ARG 75 Cb -0.08 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 32.02 1y9j s ARG 75 CO 0.21 0.43 0.69 -0.51 0.02 0.00 0.00 175.30 176.14 1y9j s ASP 76 N -0.86 6.60 -0.47 0.23 1.11 -1.26 -5.03 116.67 116.99 1y9j s ASP 76 Ca 0.43 1.07 -0.26 0.00 0.18 0.00 0.00 52.55 53.97 1y9j s ASP 76 Cb -0.26 -2.29 0.03 0.00 1.07 0.00 0.00 42.92 41.47 1y9j s ASP 76 CO 0.32 -0.26 0.99 -2.16 1.18 0.00 0.00 175.17 175.24 1y9j s PRO 77 N -3.38 3.58 -0.39 8.23 0.04 -1.26 -4.81 135.00 137.00 1y9j s PRO 77 Ca 0.50 0.26 0.12 0.00 0.04 0.00 0.00 61.00 61.92 1y9j s PRO 77 Cb -0.10 -3.93 0.39 0.00 0.04 0.00 0.00 34.50 30.90 1y9j s PRO 77 CO 0.25 -1.28 0.87 -0.89 0.04 0.00 0.00 177.00 176.00 1y9j n ILE 78 N 6.54 0.95 0.27 0.56 -0.00 0.63 -4.90 119.36 123.40 1y9j n ILE 78 Ca 0.08 -4.28 0.16 0.00 -0.00 0.00 0.00 62.75 58.70 1y9j n ILE 78 Cb 0.49 -0.24 0.79 0.00 -0.00 0.00 0.00 39.64 40.68 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 2.95 0.00 -0.34 0.38 -0.00 -1.37 -1.25 114.38 114.75 1y9j h ARG 79 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.04 1y9j h ARG 79 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 1y9j h ARG 79 CO 0.58 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 180.30 1y9j n ASP 80 N -2.60 1.75 -3.80 0.08 8.00 -1.26 -2.58 116.55 116.14 1y9j n ASP 80 Ca -0.01 -2.02 -0.13 0.00 0.71 0.00 0.00 54.79 53.34 1y9j n ASP 80 Cb 0.10 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y9j s VAL 81 N -1.59 -0.02 0.44 2.53 1.01 -0.47 -4.94 120.40 117.35 1y9j s VAL 81 Ca 0.21 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1y9j s VAL 81 Cb 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 36.38 36.23 1y9j s VAL 81 CO 0.14 0.03 1.41 -2.16 0.00 0.00 0.00 175.10 174.52 1y9j s PRO 82 N 0.47 3.76 0.25 2.72 0.04 -1.26 -2.35 135.00 138.64 1y9j s PRO 82 Ca -0.03 2.39 0.11 0.00 0.04 0.00 0.00 61.00 63.50 1y9j s PRO 82 Cb -0.05 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 1y9j s PRO 82 CO -0.02 -0.75 -0.19 0.00 0.04 0.00 0.00 177.00 176.08 1y9j s ALA 83 N -1.21 2.55 -0.02 8.56 0.00 -1.04 0.04 121.76 130.64 1y9j s ALA 83 Ca 0.60 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1y9j s ALA 83 Cb -0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1y9j s ALA 83 CO 0.56 0.25 -0.16 0.08 0.00 0.00 0.00 175.76 176.49 1y9j s VAL 84 N -2.51 1.25 -0.63 0.00 1.01 0.38 0.21 120.40 120.10 1y9j s VAL 84 Ca 0.27 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1y9j s VAL 84 Cb -0.04 -1.05 0.18 0.00 0.00 0.00 0.00 36.38 35.46 1y9j s VAL 84 CO 0.13 0.36 0.49 -1.22 0.00 0.00 0.00 175.10 174.85 1y9j n TYR 85 N 2.84 2.34 -2.79 5.22 4.02 0.28 0.30 117.16 129.37 1y9j n TYR 85 Ca -0.16 -4.08 -0.43 0.00 -0.01 0.00 0.00 57.90 53.23 1y9j n TYR 85 Cb 0.54 -0.43 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.25 2.94 0.29 -0.72 5.36 -0.04 -0.29 117.98 124.28 1y9j s PHE 86 Ca 0.28 -1.28 0.02 0.00 -0.96 0.00 0.00 56.93 54.98 1y9j s PHE 86 Cb -0.00 -4.44 -0.03 0.00 -0.34 0.00 0.00 43.02 38.21 1y9j s PHE 86 CO -0.16 -1.64 0.29 0.14 -1.46 0.00 0.00 175.22 172.38 1y9j s VAL 87 N 3.41 0.00 0.11 3.12 -7.23 0.23 -3.74 120.40 116.30 1y9j s VAL 87 Ca 0.39 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 1y9j s VAL 87 Cb -0.03 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1y9j s VAL 87 CO -0.08 0.00 0.88 -0.32 -0.31 0.00 0.00 175.10 175.27 1y9j s MET 88 N -3.62 4.64 0.00 4.82 1.75 -1.26 -2.37 119.30 123.26 1y9j s MET 88 Ca 0.37 1.30 -0.04 0.00 -1.25 0.00 0.00 55.69 56.07 1y9j s MET 88 Cb 0.03 -3.35 -0.19 0.00 2.84 0.00 0.00 34.83 34.16 1y9j s MET 88 CO 0.20 0.30 2.82 -0.35 -0.65 0.00 0.00 175.02 177.35 1y9j n PRO 89 N 2.53 1.49 -2.50 4.11 -0.04 -1.26 -4.53 135.00 134.80 1y9j n PRO 89 Ca -0.00 -0.70 -0.30 0.00 -0.04 0.00 0.00 63.50 62.46 1y9j n PRO 89 Cb 0.49 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.28 4.76 0.27 0.52 -4.23 -1.26 -4.76 115.64 112.23 1y9j s THR 90 Ca 0.47 0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 1y9j s THR 90 Cb 0.22 -3.80 0.42 0.00 1.34 0.00 0.00 72.50 70.69 1y9j s THR 90 CO 0.00 -0.77 1.57 -0.33 -0.54 0.00 0.00 174.62 174.55 1y9j h GLU 91 N 0.58 0.00 -0.32 3.99 5.08 -1.99 0.36 114.58 122.28 1y9j h GLU 91 Ca -0.46 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1y9j h GLU 91 Cb 1.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1y9j h GLU 91 CO 0.62 0.00 0.13 1.05 -1.00 0.00 0.00 179.01 179.81 1y9j h GLU 92 N 0.00 0.49 -0.05 2.33 4.11 -1.94 -2.82 114.58 116.70 1y9j h GLU 92 Ca 0.46 -0.09 0.01 0.00 0.07 0.00 0.00 59.36 59.81 1y9j h GLU 92 Cb 0.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1y9j h GLU 92 CO -0.96 0.49 -0.03 -0.91 0.07 0.00 0.00 179.01 177.67 1y9j h ASN 93 N 0.37 -0.09 -1.03 3.06 2.35 -0.71 -1.37 115.58 118.17 1y9j h ASN 93 Ca 0.11 0.02 0.28 0.00 -0.55 0.00 0.00 56.30 56.16 1y9j h ASN 93 Cb 0.19 0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 1y9j h ASN 93 CO -0.01 -0.04 0.71 0.40 -1.65 0.00 0.00 177.43 176.84 1y9j h ILE 94 N -0.03 0.51 -0.04 2.81 1.08 -0.48 0.83 117.51 122.20 1y9j h ILE 94 Ca 0.03 -0.07 -0.18 0.00 -0.39 0.00 0.00 64.86 64.26 1y9j h ILE 94 Cb 0.07 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1y9j h ILE 94 CO -0.07 0.04 -0.76 0.44 -0.69 0.00 0.00 178.15 177.11 1y9j h ASP 95 N 0.19 0.31 0.65 1.72 5.19 -1.02 -3.01 116.42 120.45 1y9j h ASP 95 Ca 0.53 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.62 1y9j h ASP 95 Cb 1.73 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 41.13 1y9j h ASP 95 CO -0.13 0.95 -0.50 0.03 -3.12 0.00 0.00 179.24 176.47 1y9j h ARG 96 N 0.16 0.00 -0.10 3.56 -0.00 0.12 -1.43 114.38 116.70 1y9j h ARG 96 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 1y9j h ARG 96 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.30 1y9j h ARG 96 CO 0.12 0.50 0.02 -0.07 0.00 0.00 0.00 179.97 180.54 1y9j h LEU 97 N 0.00 0.15 -0.98 3.04 -0.00 -0.94 0.86 115.31 117.45 1y9j h LEU 97 Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1y9j h LEU 97 Cb 0.96 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1y9j h LEU 97 CO 0.06 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.87 1y9j h GLN 99 N 0.00 0.49 0.00 0.00 4.20 -0.83 -2.85 115.11 116.11 1y9j h GLN 99 Ca 0.00 -0.66 -0.20 0.00 0.06 0.00 0.00 58.65 57.85 1y9j h GLN 99 Cb 0.63 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1y9j h GLN 99 CO 0.00 1.28 -1.04 0.38 -0.67 0.00 0.00 178.83 178.78 1y9j h ASP 100 N 0.01 0.00 0.21 1.46 3.04 -0.72 -2.91 116.42 117.50 1y9j h ASP 100 Ca -0.15 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.53 1y9j h ASP 100 Cb 1.71 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.99 1y9j h ASP 100 CO 0.19 0.87 -0.41 -0.07 -2.04 0.00 0.00 179.24 177.77 1y9j h LEU 101 N 0.00 0.28 0.05 0.15 3.38 -0.83 -2.06 115.31 116.28 1y9j h LEU 101 Ca -0.06 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 1y9j h LEU 101 Cb 1.72 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 1y9j h LEU 101 CO 0.10 0.67 -1.28 0.03 0.09 0.00 0.00 178.44 178.06 1y9j h ARG 102 N 0.23 0.10 0.00 1.13 3.08 -1.57 -3.28 114.38 114.07 1y9j h ARG 102 Ca 0.02 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 1y9j h ARG 102 Cb 0.83 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1y9j h ARG 102 CO 0.07 0.98 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.76 1y9j h ASN 103 N 0.03 0.00 -4.22 7.04 2.35 -1.40 -3.47 115.58 115.92 1y9j h ASN 103 Ca -0.13 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.23 1y9j h ASN 103 Cb 1.90 0.00 0.06 0.00 0.05 0.00 0.00 38.32 40.32 1y9j h ASN 103 CO 0.14 0.28 -0.58 0.00 -1.65 0.00 0.00 177.43 175.62 1y9j n GLN 104 N -3.44 -4.56 0.15 0.81 6.02 -0.78 -4.86 117.38 110.71 1y9j n GLN 104 Ca 0.00 0.89 0.13 0.00 -0.01 0.00 0.00 57.00 58.00 1y9j n GLN 104 Cb 0.46 -5.66 0.66 0.00 1.02 0.00 0.00 30.24 26.71 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1y9j h LEU 105 N -1.27 0.01 -8.05 1.08 3.38 -1.90 -3.38 115.31 105.18 1y9j h LEU 105 Ca -0.51 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.22 1y9j h LEU 105 Cb 1.35 -0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.88 1y9j h LEU 105 CO 0.55 0.01 -0.72 -0.31 0.09 0.00 0.00 178.44 178.05 1y9j s TYR 106 N -5.06 0.47 0.12 1.13 1.51 -1.26 0.23 117.35 114.49 1y9j s TYR 106 Ca -0.05 -0.44 -0.20 0.00 -1.01 0.00 0.00 57.07 55.37 1y9j s TYR 106 Cb 0.18 -0.29 -0.06 0.00 -0.11 0.00 0.00 41.96 41.68 1y9j s TYR 106 CO 0.70 -0.11 1.75 1.49 -1.11 0.00 0.00 175.55 178.26 1y9j h GLU 107 N 4.78 0.14 -5.95 -0.62 4.81 -1.19 -3.45 114.58 113.10 1y9j h GLU 107 Ca -0.33 -0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.33 1y9j h GLU 107 Cb 1.20 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1y9j h GLU 107 CO 0.42 0.09 -0.38 -1.54 -0.73 0.00 0.00 179.01 176.88 1y9j s SER 108 N -5.28 4.66 -0.44 1.04 1.04 -1.26 -4.16 113.70 109.29 1y9j s SER 108 Ca -0.13 -1.11 0.07 0.00 0.48 0.00 0.00 55.95 55.27 1y9j s SER 108 Cb 0.09 -0.03 0.28 0.00 0.10 0.00 0.00 66.02 66.46 1y9j s SER 108 CO 0.69 -0.85 0.84 -1.22 0.98 0.00 0.00 173.24 173.67 1y9j n TYR 109 N -1.57 -2.01 -1.81 5.02 4.01 -0.59 -2.49 117.16 117.73 1y9j n TYR 109 Ca -0.01 -2.58 -0.26 0.00 -0.16 0.00 0.00 57.90 54.89 1y9j n TYR 109 Cb 0.64 0.85 -0.05 0.00 -0.31 0.00 0.00 39.34 40.46 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1y9j s TYR 110 N -0.33 1.43 0.47 -0.72 5.04 0.13 -3.01 117.35 120.36 1y9j s TYR 110 Ca 0.31 1.26 -0.20 0.00 -2.44 0.00 0.00 57.07 56.01 1y9j s TYR 110 Cb 0.25 -3.78 -0.09 0.00 0.35 0.00 0.00 41.96 38.69 1y9j s TYR 110 CO -0.14 -1.94 0.99 -0.51 -1.34 0.00 0.00 175.55 172.61 1y9j s LEU 111 N 11.78 3.83 -0.23 6.97 1.43 0.58 0.10 118.68 143.15 1y9j s LEU 111 Ca 0.82 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1y9j s LEU 111 Cb -0.12 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.68 1y9j s LEU 111 CO 0.11 -0.59 0.32 0.21 0.23 0.00 0.00 176.35 176.62 1y9j s ASN 112 N -2.27 0.66 0.08 2.29 3.84 0.60 0.10 114.94 120.24 1y9j s ASN 112 Ca 0.64 0.08 -0.20 0.00 0.21 0.00 0.00 52.86 53.58 1y9j s ASN 112 Cb -0.12 0.84 -0.07 0.00 -0.55 0.00 0.00 41.25 41.35 1y9j s ASN 112 CO 0.19 -0.31 0.60 -0.36 -2.79 0.00 0.00 177.10 174.43 1y9j s PHE 113 N 2.46 3.81 0.02 0.43 0.08 -1.22 0.74 117.98 124.30 1y9j s PHE 113 Ca 0.10 1.31 -0.00 0.00 0.12 0.00 0.00 56.93 58.46 1y9j s PHE 113 Cb -0.15 -2.54 -0.26 0.00 -0.57 0.00 0.00 43.02 39.49 1y9j s PHE 113 CO -0.14 0.56 0.91 0.82 -0.10 0.00 0.00 175.22 177.27 1y9j h ILE 114 N 3.57 1.22 -1.07 0.64 1.08 -1.81 -3.36 117.51 117.78 1y9j h ILE 114 Ca -0.49 -2.88 -0.55 0.00 -0.39 0.00 0.00 64.86 60.55 1y9j h ILE 114 Cb 1.21 2.75 -0.05 0.00 -3.07 0.00 0.00 36.82 37.67 1y9j h ILE 114 CO 0.64 0.81 -0.36 -0.94 -0.69 0.00 0.00 178.15 177.62 1y9j s SER 115 N -6.88 4.74 -0.91 1.72 1.04 -1.26 -1.90 113.70 110.25 1y9j s SER 115 Ca -0.07 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.09 1y9j s SER 115 Cb 0.07 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1y9j s SER 115 CO 0.85 -0.86 1.31 0.00 0.98 0.00 0.00 173.24 175.51 1y9j s ALA 116 N -2.64 2.88 0.74 5.32 0.00 -1.26 -4.77 121.76 122.03 1y9j s ALA 116 Ca 0.41 -2.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.11 1y9j s ALA 116 Cb -0.01 -4.32 0.04 0.00 0.00 0.00 0.00 23.12 18.83 1y9j s ALA 116 CO 0.24 -3.35 1.09 -1.50 0.00 0.00 0.00 175.76 172.24 1y9j s ILE 117 N 4.60 3.49 0.35 0.00 2.07 -1.26 -5.06 121.20 125.38 1y9j s ILE 117 Ca 0.39 0.51 0.08 0.00 -1.41 0.00 0.00 60.65 60.22 1y9j s ILE 117 Cb -0.04 -3.05 -0.03 0.00 0.13 0.00 0.00 42.46 39.46 1y9j s ILE 117 CO -0.03 -0.61 0.23 -0.94 -1.91 0.00 0.00 174.94 171.68 1y9j s SER 118 N -3.38 4.95 0.28 4.50 1.04 -1.26 -4.94 113.70 114.89 1y9j s SER 118 Ca 0.61 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 56.39 1y9j s SER 118 Cb -0.17 -0.81 0.59 0.00 0.10 0.00 0.00 66.02 65.73 1y9j s SER 118 CO 0.54 -0.36 1.81 0.03 0.98 0.00 0.00 173.24 176.24 1y9j h ARG 119 N 1.38 0.84 0.79 4.02 3.08 -1.97 0.83 114.38 123.35 1y9j h ARG 119 Ca -0.44 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 1y9j h ARG 119 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1y9j h ARG 119 CO 0.61 0.56 -0.43 1.03 -1.07 0.00 0.00 179.97 180.67 1y9j h SER 120 N 0.87 -1.04 -0.07 7.04 0.87 -1.99 0.52 113.55 119.75 1y9j h SER 120 Ca 0.51 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 61.06 1y9j h SER 120 Cb 0.61 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1y9j h SER 120 CO -0.31 -0.69 -0.11 0.11 -0.53 0.00 0.00 176.83 175.30 1y9j h LYS 121 N -1.12 0.37 -0.25 2.24 1.57 -1.84 -2.78 116.57 114.76 1y9j h LYS 121 Ca -0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1y9j h LYS 121 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1y9j h LYS 121 CO 0.14 0.49 0.01 -0.07 -0.57 0.00 0.00 179.45 179.45 1y9j h LEU 122 N 0.35 0.43 -1.64 2.94 3.38 0.95 -2.67 115.31 119.05 1y9j h LEU 122 Ca 0.07 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 57.87 1y9j h LEU 122 Cb 0.41 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1y9j h LEU 122 CO 0.02 0.62 0.46 -0.33 0.09 0.00 0.00 178.44 179.30 1y9j h GLU 123 N 0.22 0.37 -0.22 1.13 5.08 0.32 0.34 114.58 121.81 1y9j h GLU 123 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1y9j h GLU 123 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1y9j h GLU 123 CO 0.01 0.24 0.11 -0.44 -1.00 0.00 0.00 179.01 177.93 1y9j h ASP 124 N 0.38 0.28 -0.19 1.42 5.19 -1.28 0.14 116.42 122.36 1y9j h ASP 124 Ca 0.33 -0.11 -0.21 0.00 -0.62 0.00 0.00 57.03 56.41 1y9j h ASP 124 Cb 0.76 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 40.21 1y9j h ASP 124 CO -0.09 0.31 -0.70 0.40 -3.12 0.00 0.00 179.24 176.04 1y9j h ILE 125 N 0.23 1.28 -0.41 0.35 5.03 -1.03 0.95 117.51 123.90 1y9j h ILE 125 Ca 0.07 -1.89 0.03 0.00 -0.12 0.00 0.00 64.86 62.95 1y9j h ILE 125 Cb 0.11 1.86 -0.03 0.00 -3.03 0.00 0.00 36.82 35.72 1y9j h ILE 125 CO -0.01 0.61 0.22 0.00 -0.68 0.00 0.00 178.15 178.28 1y9j h ALA 126 N 0.61 0.52 0.00 1.87 0.00 -0.26 -1.66 119.26 120.34 1y9j h ALA 126 Ca -0.03 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1y9j h ALA 126 Cb 1.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1y9j h ALA 126 CO 0.15 -0.13 -0.70 -0.91 0.00 0.00 0.00 179.25 177.65 1y9j h ASN 127 N 0.44 0.00 -0.99 0.00 2.35 -0.70 -3.05 115.58 113.63 1y9j h ASN 127 Ca 0.17 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.20 1y9j h ASN 127 Cb 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1y9j h ASN 127 CO -0.11 0.70 0.70 0.00 -1.65 0.00 0.00 177.43 177.07 1y9j h ALA 128 N 1.30 2.78 0.12 -0.83 0.00 0.19 0.64 119.26 123.46 1y9j h ALA 128 Ca -0.01 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1y9j h ALA 128 Cb 1.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1y9j h ALA 128 CO 0.09 -1.08 -1.58 0.00 0.00 0.00 0.00 179.25 176.68 1y9j h ALA 129 N 1.53 0.23 -0.78 0.00 0.00 -1.43 -3.35 119.26 115.46 1y9j h ALA 129 Ca 0.49 -1.17 0.23 0.00 0.00 0.00 0.00 54.91 54.45 1y9j h ALA 129 Cb 1.77 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 1y9j h ALA 129 CO -0.06 0.95 0.71 -0.07 0.00 0.00 0.00 179.25 180.79 1y9j h LEU 130 N -0.21 0.00 -1.43 0.00 3.38 -0.79 1.70 115.31 117.97 1y9j h LEU 130 Ca -0.34 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1y9j h LEU 130 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1y9j h LEU 130 CO 0.07 0.00 0.07 0.00 0.09 0.00 0.00 178.44 178.67 1y9j h ALA 131 N 1.31 1.54 -0.00 1.53 0.00 -1.49 -3.11 119.26 119.04 1y9j h ALA 131 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1y9j h ALA 131 Cb 1.79 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1y9j h ALA 131 CO -0.00 0.34 -0.10 0.00 0.00 0.00 0.00 179.25 179.49 1y9j n ALA 132 N -2.48 2.36 -3.22 0.00 0.00 0.18 -5.02 120.51 112.32 1y9j n ALA 132 Ca 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1y9j n ALA 132 Cb 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.59 1y9j n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y9j n ASN 133 N -0.84 -4.31 -4.77 0.00 2.85 0.53 -4.99 115.26 103.72 1y9j n ASN 133 Ca 0.01 -0.41 -0.39 0.00 -0.11 0.00 0.00 54.58 53.68 1y9j n ASN 133 Cb 0.04 -3.80 -0.06 0.00 1.24 0.00 0.00 39.78 37.21 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y9j s ALA 134 N -3.24 3.48 -0.31 5.20 0.00 -1.14 -4.99 121.76 120.76 1y9j s ALA 134 Ca 0.31 0.07 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 1y9j s ALA 134 Cb -0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1y9j s ALA 134 CO 0.53 0.18 1.91 0.08 0.00 0.00 0.00 175.76 178.46 1y9j s VAL 135 N -0.28 3.35 0.20 0.00 1.01 -1.26 -4.81 120.40 118.61 1y9j s VAL 135 Ca 0.32 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1y9j s VAL 135 Cb -0.19 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1y9j s VAL 135 CO 0.18 -0.32 -0.06 0.42 0.00 0.00 0.00 175.10 175.32 1y9j s THR 136 N 7.39 1.21 -0.28 3.92 -4.23 -1.26 -1.55 115.64 120.84 1y9j s THR 136 Ca 0.85 -2.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 1y9j s THR 136 Cb -0.25 -2.12 0.13 0.00 1.34 0.00 0.00 72.50 71.61 1y9j s THR 136 CO 0.34 -0.53 0.58 0.00 -0.54 0.00 0.00 174.62 174.47 1y9j s GLN 137 N -3.78 0.51 -0.40 3.99 -2.07 -1.17 -4.97 119.66 111.77 1y9j s GLN 137 Ca 0.23 1.27 -0.27 0.00 -1.82 0.00 0.00 55.36 54.77 1y9j s GLN 137 Cb 0.04 0.67 0.02 0.00 -1.09 0.00 0.00 33.01 32.64 1y9j s GLN 137 CO 0.05 -0.28 1.01 0.08 -1.32 0.00 0.00 175.29 174.83 1y9j s VAL 138 N 2.82 4.45 1.08 3.63 1.01 -1.26 -0.31 120.40 131.82 1y9j s VAL 138 Ca -0.01 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.01 1y9j s VAL 138 Cb -0.13 -4.44 0.26 0.00 0.00 0.00 0.00 36.38 32.08 1y9j s VAL 138 CO -0.18 -0.70 1.26 0.00 0.00 0.00 0.00 175.10 175.48 1y9j n ALA 139 N 7.13 -2.24 -1.58 5.51 0.00 0.28 -4.96 120.51 124.66 1y9j n ALA 139 Ca 0.09 -1.71 -0.30 0.00 0.00 0.00 0.00 53.44 51.52 1y9j n ALA 139 Cb 0.48 -0.10 0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 -5.78 1.98 0.11 0.00 3.01 -1.26 -4.38 119.74 113.41 1y9j s LYS 140 Ca 0.75 0.56 0.04 0.00 -1.01 0.00 0.00 55.97 56.31 1y9j s LYS 140 Cb -0.04 -1.91 -0.04 0.00 -1.01 0.00 0.00 37.83 34.83 1y9j s LYS 140 CO 0.54 -1.68 0.07 0.08 0.51 0.00 0.00 175.35 174.87 1y9j s VAL 141 N -3.20 4.34 -0.02 3.17 1.01 -1.26 -4.34 120.40 120.11 1y9j s VAL 141 Ca 0.61 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1y9j s VAL 141 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1y9j s VAL 141 CO 0.54 0.05 -0.02 2.22 0.00 0.00 0.00 175.10 177.88 1y9j n PHE 142 N 0.24 0.00 0.77 5.22 -1.74 -1.26 -4.68 117.46 116.01 1y9j n PHE 142 Ca -0.09 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.87 1y9j n PHE 142 Cb 0.53 -0.07 0.38 0.00 1.52 0.00 0.00 39.48 41.84 1y9j n PHE 142 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1y9j n ASP 143 N -2.93 0.00 0.32 5.98 9.92 -1.07 -3.20 116.55 125.57 1y9j n ASP 143 Ca -0.04 -0.24 0.20 0.00 -0.53 0.00 0.00 54.79 54.18 1y9j n ASP 143 Cb 0.53 -0.10 1.05 0.00 -0.64 0.00 0.00 41.12 41.96 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 0.00 0.00 0.00 -1.24 -0.00 -1.65 -2.43 115.11 109.78 1y9j h GLN 144 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1y9j h GLN 144 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 1y9j h GLN 144 CO 0.00 0.00 -1.56 2.48 0.00 0.00 0.00 178.83 179.75 1y9j n TYR 145 N -3.15 0.00 -4.20 3.99 4.11 -1.19 -4.86 117.16 111.85 1y9j n TYR 145 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.77 1y9j n TYR 145 Cb 0.19 -0.37 -0.03 0.00 -0.00 0.00 0.00 39.34 39.13 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 -2.17 0.00 0.00 -3.48 -0.00 -0.92 -5.23 117.00 105.20 1y9j n LEU 146 Ca -0.11 -1.39 0.00 0.00 -0.00 0.00 0.00 56.01 54.52 1y9j n LEU 146 Cb 0.62 0.53 0.00 0.00 -0.00 0.00 0.00 43.42 44.57 1y9j n LEU 146 CO 0.19 -0.22 0.00 -3.20 -0.00 0.00 0.00 177.39 174.17