#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuj s SER 2 N 0.00 0.48 -0.53 1.61 1.04 -1.26 -5.10 113.70 109.94 2yuj s SER 2 Ca 0.00 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 54.95 2yuj s SER 2 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2yuj s SER 2 CO 0.00 -0.70 1.55 -0.44 0.98 0.00 0.00 173.24 174.63 2yuj s SER 3 N -3.07 5.95 0.00 7.02 0.01 -1.26 -4.62 113.70 117.73 2yuj s SER 3 Ca 0.24 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2yuj s SER 3 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2yuj s SER 3 CO 0.02 -1.82 0.00 0.61 0.41 0.00 0.00 173.24 172.47 2yuj n GLY 4 N 5.35 1.85 3.50 3.44 0.00 -1.26 -5.03 105.19 113.05 2yuj n GLY 4 Ca 0.15 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2yuj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuj s SER 5 N 0.00 6.32 -0.43 1.61 0.01 -1.26 -5.02 113.70 114.93 2yuj s SER 5 Ca 0.00 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 56.70 2yuj s SER 5 Cb 0.00 -2.36 0.07 0.00 0.21 0.00 0.00 66.02 63.94 2yuj s SER 5 CO 0.00 -0.95 0.30 -0.94 0.41 0.00 0.00 173.24 172.06 2yuj s SER 6 N 2.43 5.84 0.00 2.44 1.04 -1.26 -5.08 113.70 119.11 2yuj s SER 6 Ca 0.24 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2yuj s SER 6 Cb -0.15 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2yuj s SER 6 CO 0.18 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2yuj n GLY 7 N 5.03 -3.09 3.27 7.32 0.00 -1.26 -5.03 105.19 111.43 2yuj n GLY 7 Ca -0.11 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 2yuj n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yuj s ILE 8 N 0.00 2.03 0.00 -0.61 1.01 -1.26 -5.14 121.20 117.23 2yuj s ILE 8 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2yuj s ILE 8 Cb 0.00 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2yuj s ILE 8 CO 0.00 0.57 0.00 -0.81 0.00 0.00 0.00 174.94 174.70 2yuj n PRO 9 N 2.88 -0.24 -1.15 2.79 -0.04 -1.26 -4.95 135.00 133.03 2yuj n PRO 9 Ca -0.17 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.44 2yuj n PRO 9 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2yuj n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2yuj n ARG 10 N -0.97 -2.43 -0.53 0.54 1.74 -1.26 -4.88 116.66 108.86 2yuj n ARG 10 Ca 0.00 1.75 -0.30 0.00 -0.77 0.00 0.00 57.85 58.53 2yuj n ARG 10 Cb 0.00 -2.92 0.28 0.00 -1.02 0.00 0.00 32.46 28.80 2yuj n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2yuj s VAL 11 N -2.67 1.31 -0.21 1.55 -7.23 -1.26 -4.98 120.40 106.92 2yuj s VAL 11 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.29 2yuj s VAL 11 Cb 0.00 -2.16 0.43 0.00 0.56 0.00 0.00 36.38 35.20 2yuj s VAL 11 CO 0.00 0.00 1.21 0.33 -0.31 0.00 0.00 175.10 176.33 2yuj n PHE 12 N -5.43 0.29 -4.01 2.82 -0.00 -1.26 -5.01 117.46 104.85 2yuj n PHE 12 Ca 0.12 -1.52 -0.35 0.00 -0.00 0.00 0.00 57.45 55.70 2yuj n PHE 12 Cb 0.60 -0.25 -0.12 0.00 -0.00 0.00 0.00 39.48 39.70 2yuj n PHE 12 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2yuj s GLN 13 N -3.09 3.69 0.29 -4.13 0.74 -1.26 -5.10 119.66 110.79 2yuj s GLN 13 Ca 0.39 -0.48 0.11 0.00 0.05 0.00 0.00 55.36 55.43 2yuj s GLN 13 Cb 0.37 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 2yuj s GLN 13 CO -0.06 0.02 -0.15 -0.80 -0.55 0.00 0.00 175.29 173.75 2yuj s ASN 14 N 1.00 3.77 -0.22 6.67 0.01 -1.26 -5.14 114.94 119.77 2yuj s ASN 14 Ca 0.02 -0.99 -0.04 0.00 -0.71 0.00 0.00 52.86 51.14 2yuj s ASN 14 Cb -0.14 -0.40 0.11 0.00 0.41 0.00 0.00 41.25 41.24 2yuj s ASN 14 CO 0.02 -0.00 0.39 -0.13 -1.51 0.00 0.00 177.10 175.87 2yuj s ARG 15 N -3.55 0.33 -0.54 -0.60 0.52 -1.26 -5.06 118.95 108.78 2yuj s ARG 15 Ca 0.31 0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 55.99 2yuj s ARG 15 Cb -0.04 -0.15 -0.08 0.00 0.52 0.00 0.00 34.95 35.20 2yuj s ARG 15 CO 0.16 -0.48 2.39 0.12 0.02 0.00 0.00 175.30 177.51 2yuj s PHE 16 N 2.57 1.10 -0.04 -0.53 5.36 -1.26 -4.87 117.98 120.31 2yuj s PHE 16 Ca 0.07 1.62 0.03 0.00 -0.96 0.00 0.00 56.93 57.68 2yuj s PHE 16 Cb -0.14 -3.57 0.01 0.00 -0.34 0.00 0.00 43.02 38.97 2yuj s PHE 16 CO -0.14 -2.37 -0.11 -1.54 -1.46 0.00 0.00 175.22 169.60 2yuj s SER 17 N 11.89 1.48 -0.06 6.13 1.04 -1.26 -2.66 113.70 130.26 2yuj s SER 17 Ca 0.96 -0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.84 2yuj s SER 17 Cb -0.16 -0.49 0.13 0.00 0.10 0.00 0.00 66.02 65.60 2yuj s SER 17 CO 0.23 0.06 1.34 0.28 0.98 0.00 0.00 173.24 176.13 2yuj s THR 18 N 0.32 0.00 -0.23 2.02 -1.32 -0.88 -4.99 115.64 110.56 2yuj s THR 18 Ca -0.06 -0.14 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 2yuj s THR 18 Cb -0.11 -1.94 -0.05 0.00 -1.51 0.00 0.00 72.50 68.89 2yuj s THR 18 CO 0.01 0.00 0.18 -1.10 -2.21 0.00 0.00 174.62 171.50 2yuj s GLN 19 N -2.28 4.08 0.14 7.08 -0.21 -1.26 -0.55 119.66 126.67 2yuj s GLN 19 Ca 0.14 -0.23 0.09 0.00 0.02 0.00 0.00 55.36 55.38 2yuj s GLN 19 Cb 0.06 -3.53 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2yuj s GLN 19 CO -0.05 0.07 -0.21 0.71 -2.12 0.00 0.00 175.29 173.69 2yuj s TYR 20 N 1.04 1.94 -0.04 0.91 2.02 -1.18 -4.87 117.35 117.16 2yuj s TYR 20 Ca 0.08 -0.42 -0.25 0.00 -0.37 0.00 0.00 57.07 56.11 2yuj s TYR 20 Cb -0.13 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 2yuj s TYR 20 CO 0.04 0.31 0.78 1.03 -1.57 0.00 0.00 175.55 176.15 2yuj s ARG 21 N -2.34 4.47 -0.13 -0.62 0.52 -1.26 -2.21 118.95 117.38 2yuj s ARG 21 Ca 0.13 1.04 -0.16 0.00 -0.52 0.00 0.00 55.73 56.21 2yuj s ARG 21 Cb -0.08 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 2yuj s ARG 21 CO 0.06 0.04 0.40 0.00 0.02 0.00 0.00 175.30 175.82 2yuj s PHE 23 N 0.49 1.64 0.60 0.00 0.08 -0.81 -0.67 117.98 119.32 2yuj s PHE 23 Ca 0.22 -1.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.03 2yuj s PHE 23 Cb -0.14 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2yuj s PHE 23 CO 0.08 -0.29 0.93 0.45 -0.10 0.00 0.00 175.22 176.28 2yuj s SER 24 N -3.37 5.62 -0.02 1.36 0.15 -1.26 -1.98 113.70 114.19 2yuj s SER 24 Ca 0.36 0.81 0.11 0.00 0.70 0.00 0.00 55.95 57.94 2yuj s SER 24 Cb 0.07 -1.79 0.36 0.00 -1.71 0.00 0.00 66.02 62.95 2yuj s SER 24 CO 0.15 -1.08 1.27 1.33 1.20 0.00 0.00 173.24 176.10 2yuj n VAL 25 N -2.64 0.68 0.13 4.45 0.24 -1.18 -3.98 118.33 116.03 2yuj n VAL 25 Ca 0.05 -0.56 -0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2yuj n VAL 25 Cb 0.57 0.15 0.09 0.00 -1.47 0.00 0.00 33.84 33.19 2yuj n VAL 25 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2yuj h SER 26 N 2.26 0.00 -0.25 -1.34 4.64 -1.93 -3.27 113.55 113.65 2yuj h SER 26 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2yuj h SER 26 Cb 0.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 2yuj h SER 26 CO 0.04 0.64 0.08 0.24 -0.87 0.00 0.00 176.83 176.97 2yuj h MET 27 N 0.00 0.19 -5.86 4.77 2.07 -2.00 -3.32 114.93 110.78 2yuj h MET 27 Ca -0.01 -0.01 -0.64 0.00 -2.07 0.00 0.00 59.70 56.97 2yuj h MET 27 Cb 1.31 -0.04 -0.10 0.00 -1.87 0.00 0.00 31.60 30.90 2yuj h MET 27 CO 0.08 0.13 1.68 -1.17 1.07 0.00 0.00 176.91 178.70 2yuj s LEU 28 N -10.28 3.83 0.00 1.22 0.20 -1.23 -4.96 118.68 107.45 2yuj s LEU 28 Ca -0.13 -1.93 0.08 0.00 0.69 0.00 0.00 54.13 52.84 2yuj s LEU 28 Cb 0.10 -2.55 0.08 0.00 -0.43 0.00 0.00 46.19 43.39 2yuj s LEU 28 CO 0.70 -1.31 0.62 0.00 -0.29 0.00 0.00 176.35 176.07 2yuj n ALA 29 N 8.35 0.99 -3.00 5.97 0.00 -1.25 -5.05 120.51 126.52 2yuj n ALA 29 Ca 0.38 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 52.03 2yuj n ALA 29 Cb 0.49 0.53 0.00 0.00 0.00 0.00 0.00 19.45 20.46 2yuj n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuj n GLY 30 N -0.90 1.26 0.14 0.00 0.00 -1.26 -5.05 105.19 99.38 2yuj n GLY 30 Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 2yuj n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuj h PRO 31 N 0.00 0.38 -7.38 1.61 0.13 -2.07 -3.45 132.00 121.22 2yuj h PRO 31 Ca 0.00 -0.20 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 2yuj h PRO 31 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.24 2yuj h PRO 31 CO 0.00 0.76 0.24 -0.80 -0.23 0.00 0.00 178.00 177.96 2yuj s ASN 32 N -6.15 4.10 -0.29 1.44 -0.87 -1.26 -5.07 114.94 106.84 2yuj s ASN 32 Ca -0.14 0.06 -0.05 0.00 -1.57 0.00 0.00 52.86 51.16 2yuj s ASN 32 Cb 0.05 -0.41 0.02 0.00 -0.02 0.00 0.00 41.25 40.89 2yuj s ASN 32 CO 0.76 -2.05 0.04 -1.81 -2.57 0.00 0.00 177.10 171.47 2yuj s ASP 33 N -4.72 4.92 -0.15 -1.22 1.11 -1.26 -5.08 116.67 110.27 2yuj s ASP 33 Ca 0.67 -0.85 -0.24 0.00 0.18 0.00 0.00 52.55 52.31 2yuj s ASP 33 Cb -0.06 -1.81 -0.02 0.00 1.07 0.00 0.00 42.92 42.09 2yuj s ASP 33 CO 0.47 -0.20 0.75 -0.60 1.18 0.00 0.00 175.17 176.78 2yuj s ARG 34 N 1.42 4.31 -0.08 8.23 6.06 -1.26 -4.92 118.95 132.71 2yuj s ARG 34 Ca 0.01 0.89 0.23 0.00 -2.50 0.00 0.00 55.73 54.36 2yuj s ARG 34 Cb -0.18 -3.54 0.44 0.00 0.06 0.00 0.00 34.95 31.74 2yuj s ARG 34 CO 0.00 -0.21 1.17 0.43 -2.50 0.00 0.00 175.30 174.19 2yuj n SER 35 N 4.83 1.31 -0.04 -2.12 7.64 -1.26 -4.81 113.62 119.17 2yuj n SER 35 Ca 0.02 -2.27 -0.04 0.00 1.01 0.00 0.00 58.87 57.59 2yuj n SER 35 Cb 0.50 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2yuj n SER 35 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuj n ASP 36 N 0.08 2.83 0.24 6.43 -0.08 -1.26 -4.35 116.55 120.44 2yuj n ASP 36 Ca 0.09 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.44 2yuj n ASP 36 Cb 1.03 0.75 0.59 0.00 2.34 0.00 0.00 41.12 45.83 2yuj n ASP 36 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2yuj h VAL 37 N 0.00 1.02 0.02 5.18 2.07 -1.88 0.90 116.25 123.56 2yuj h VAL 37 Ca -0.23 -0.34 -0.24 0.00 0.82 0.00 0.00 66.70 66.72 2yuj h VAL 37 Cb 1.49 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2yuj h VAL 37 CO 0.01 0.09 -1.20 -0.33 0.02 0.00 0.00 177.57 176.16 2yuj h GLU 38 N 0.00 0.03 0.01 1.57 5.08 -1.92 -3.33 114.58 116.02 2yuj h GLU 38 Ca -0.00 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 2yuj h GLU 38 Cb 0.18 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2yuj h GLU 38 CO 0.01 0.91 -1.53 0.87 -1.00 0.00 0.00 179.01 178.27 2yuj h LYS 39 N 0.01 0.02 0.00 2.33 1.57 -1.59 -3.45 116.57 115.46 2yuj h LYS 39 Ca -0.09 -0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 58.17 2yuj h LYS 39 Cb 1.85 0.01 0.07 0.00 0.08 0.00 0.00 32.23 34.25 2yuj h LYS 39 CO 0.13 0.67 0.08 0.41 -0.57 0.00 0.00 179.45 180.17 2yuj n GLY 40 N 1.52 0.92 2.78 3.86 0.00 0.31 -4.73 105.19 109.85 2yuj n GLY 40 Ca -0.13 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 2yuj n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuj n GLY 41 N -2.72 5.37 3.16 -0.02 0.00 -1.25 -4.83 105.19 104.89 2yuj n GLY 41 Ca 0.17 -2.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.26 2yuj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuj s LYS 42 N -3.17 0.79 0.34 1.61 3.01 -1.26 -3.75 119.74 117.31 2yuj s LYS 42 Ca 0.46 -1.04 0.05 0.00 -1.01 0.00 0.00 55.97 54.43 2yuj s LYS 42 Cb 0.24 -0.57 -0.03 0.00 -1.01 0.00 0.00 37.83 36.46 2yuj s LYS 42 CO -0.10 0.10 0.21 0.96 0.51 0.00 0.00 175.35 177.04 2yuj s ILE 43 N -1.97 0.19 -0.18 2.17 -4.36 -0.60 -4.62 121.20 111.82 2yuj s ILE 43 Ca 0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 2yuj s ILE 43 Cb -0.06 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.24 2yuj s ILE 43 CO 0.01 0.00 -0.08 -0.63 0.24 0.00 0.00 174.94 174.47 2yuj s ILE 44 N -3.46 1.43 0.32 8.37 1.01 -1.07 -2.78 121.20 125.02 2yuj s ILE 44 Ca 0.35 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.23 2yuj s ILE 44 Cb 0.03 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2yuj s ILE 44 CO 0.22 0.16 0.20 -0.04 0.00 0.00 0.00 174.94 175.48 2yuj s MET 45 N 1.49 2.58 0.47 2.79 -1.94 -0.94 -2.41 119.30 121.34 2yuj s MET 45 Ca -0.00 -1.38 -0.23 0.00 -1.71 0.00 0.00 55.69 52.37 2yuj s MET 45 Cb -0.16 -2.35 -0.09 0.00 2.01 0.00 0.00 34.83 34.25 2yuj s MET 45 CO -0.08 0.15 1.09 -2.30 -0.01 0.00 0.00 175.02 173.87 2yuj n PRO 46 N -1.23 1.42 0.03 2.03 -0.02 -1.26 -1.99 135.00 133.98 2yuj n PRO 46 Ca -0.03 0.52 0.21 0.00 -2.02 0.00 0.00 63.50 62.17 2yuj n PRO 46 Cb 0.60 -2.20 0.73 0.00 -0.02 0.00 0.00 33.50 32.61 2yuj n PRO 46 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2yuj h PRO 47 N 1.44 0.00 0.00 0.52 0.11 -1.74 0.89 132.00 133.22 2yuj h PRO 47 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2yuj h PRO 47 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 2yuj h PRO 47 CO 0.56 0.00 -0.26 1.03 -0.21 0.00 0.00 178.00 179.12 2yuj h SER 48 N 0.00 0.00 -0.25 -2.05 0.87 -1.92 -2.95 113.55 107.25 2yuj h SER 48 Ca 0.23 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2yuj h SER 48 Cb 1.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 2yuj h SER 48 CO -0.00 0.26 0.09 0.00 -0.53 0.00 0.00 176.83 176.66 2yuj h ALA 49 N 1.74 0.29 -0.64 6.23 0.00 -1.15 0.32 119.26 126.05 2yuj h ALA 49 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2yuj h ALA 49 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2yuj h ALA 49 CO 0.03 -0.31 0.40 1.25 0.00 0.00 0.00 179.25 180.62 2yuj h LEU 50 N 0.21 0.75 -0.97 0.00 5.85 -1.63 -0.61 115.31 118.90 2yuj h LEU 50 Ca 0.11 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 2yuj h LEU 50 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2yuj h LEU 50 CO -0.10 0.57 -0.45 -0.78 -0.34 0.00 0.00 178.44 177.33 2yuj h ASP 51 N 0.86 0.14 -0.20 1.25 1.82 -1.41 -3.06 116.42 115.83 2yuj h ASP 51 Ca 0.23 -0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 2yuj h ASP 51 Cb -0.06 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 2yuj h ASP 51 CO -0.05 0.58 -0.22 -0.61 -1.61 0.00 0.00 179.24 177.33 2yuj h GLN 52 N 0.11 0.51 -0.19 0.28 5.75 0.24 -3.01 115.11 118.80 2yuj h GLN 52 Ca 0.01 -0.28 0.05 0.00 -0.15 0.00 0.00 58.65 58.28 2yuj h GLN 52 Cb 0.84 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2yuj h GLN 52 CO 0.06 0.86 0.14 -0.07 -2.65 0.00 0.00 178.83 177.17 2yuj h LEU 53 N 0.18 0.02 -0.73 -2.39 3.38 -1.07 0.08 115.31 114.78 2yuj h LEU 53 Ca 0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2yuj h LEU 53 Cb 0.78 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2yuj h LEU 53 CO 0.05 0.01 -0.43 0.28 0.09 0.00 0.00 178.44 178.44 2yuj h SER 54 N 0.02 0.00 -0.44 -0.43 0.02 -1.43 -2.56 113.55 108.73 2yuj h SER 54 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2yuj h SER 54 Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2yuj h SER 54 CO -0.00 0.43 0.01 0.54 -1.14 0.00 0.00 176.83 176.67 2yuj n ARG 55 N -3.48 3.93 -0.37 3.45 1.74 0.00 -3.94 116.66 117.98 2yuj n ARG 55 Ca 0.00 -2.38 0.03 0.00 -0.77 0.00 0.00 57.85 54.73 2yuj n ARG 55 Cb 0.57 -2.08 0.04 0.00 -1.02 0.00 0.00 32.46 29.97 2yuj n ARG 55 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2yuj n LEU 56 N 0.45 0.70 -2.44 0.55 4.77 -1.12 -4.98 117.00 114.93 2yuj n LEU 56 Ca 0.21 -1.62 -0.17 0.00 -0.03 0.00 0.00 56.01 54.40 2yuj n LEU 56 Cb 0.97 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.93 2yuj n LEU 56 CO 0.25 0.39 -0.21 0.59 -1.33 0.00 0.00 177.39 177.08 2yuj n ASN 57 N -0.43 -5.02 -4.72 -1.43 3.02 -1.25 -4.81 115.26 100.62 2yuj n ASN 57 Ca 0.05 0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 2yuj n ASN 57 Cb 0.68 -4.21 -0.08 0.00 -0.61 0.00 0.00 39.78 35.56 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2yuj s ILE 58 N -2.86 5.34 0.33 2.41 1.01 -0.98 -5.09 121.20 121.37 2yuj s ILE 58 Ca 0.01 0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2yuj s ILE 58 Cb -0.01 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 2yuj s ILE 58 CO 0.01 0.45 -0.09 0.42 0.00 0.00 0.00 174.94 175.73 2yuj s THR 59 N 0.32 2.16 0.37 2.92 -4.23 -1.26 -4.50 115.64 111.42 2yuj s THR 59 Ca 0.08 -2.20 -0.28 0.00 -1.18 0.00 0.00 61.69 58.11 2yuj s THR 59 Cb -0.11 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 2yuj s THR 59 CO -0.02 -0.22 1.36 -0.47 -0.54 0.00 0.00 174.62 174.74 2yuj s TYR 60 N -2.66 2.83 0.75 3.99 5.04 -1.26 -4.15 117.35 121.88 2yuj s TYR 60 Ca 0.32 1.34 -0.11 0.00 -2.44 0.00 0.00 57.07 56.17 2yuj s TYR 60 Cb 0.02 -3.79 0.04 0.00 0.35 0.00 0.00 41.96 38.59 2yuj s TYR 60 CO 0.16 -2.30 1.10 -1.25 -1.34 0.00 0.00 175.55 171.92 2yuj s PRO 61 N -2.03 2.50 -0.44 4.97 0.04 -1.26 -5.15 135.00 133.64 2yuj s PRO 61 Ca 0.53 0.56 0.09 0.00 0.04 0.00 0.00 61.00 62.22 2yuj s PRO 61 Cb -0.41 -1.97 0.30 0.00 0.04 0.00 0.00 34.50 32.46 2yuj s PRO 61 CO 0.55 -1.31 0.69 -1.33 0.04 0.00 0.00 177.00 175.64 2yuj n MET 62 N -3.21 1.36 -1.27 4.56 2.81 -1.26 -4.98 117.12 115.14 2yuj n MET 62 Ca 0.07 -3.67 -0.30 0.00 -1.81 0.00 0.00 57.70 51.99 2yuj n MET 62 Cb 0.57 -1.67 0.13 0.00 -0.71 0.00 0.00 33.22 31.54 2yuj n MET 62 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yuj s LEU 63 N -2.14 2.32 -0.06 4.03 1.43 -1.26 -4.47 118.68 118.52 2yuj s LEU 63 Ca 0.39 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2yuj s LEU 63 Cb 0.25 -3.90 0.02 0.00 0.03 0.00 0.00 46.19 42.59 2yuj s LEU 63 CO -0.09 -2.52 -0.05 -0.36 0.23 0.00 0.00 176.35 173.55 2yuj s PHE 64 N -2.98 0.98 -0.41 0.29 0.40 -1.04 -3.76 117.98 111.47 2yuj s PHE 64 Ca 0.63 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 56.35 2yuj s PHE 64 Cb -0.17 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.52 2yuj s PHE 64 CO 0.56 -0.29 0.98 0.21 0.70 0.00 0.00 175.22 177.39 2yuj s LYS 65 N 1.21 3.77 -1.11 0.44 2.20 0.26 -2.12 119.74 124.38 2yuj s LYS 65 Ca -0.06 0.53 -0.14 0.00 -0.36 0.00 0.00 55.97 55.94 2yuj s LYS 65 Cb -0.14 -3.85 0.18 0.00 -1.51 0.00 0.00 37.83 32.52 2yuj s LYS 65 CO -0.02 -1.09 1.28 -0.51 -0.36 0.00 0.00 175.35 174.65 2yuj s LEU 66 N 3.75 5.34 -0.69 5.43 1.43 0.21 -2.77 118.68 131.38 2yuj s LEU 66 Ca 0.41 -2.86 -0.23 0.00 -1.03 0.00 0.00 54.13 50.41 2yuj s LEU 66 Cb -0.11 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.81 2yuj s LEU 66 CO 0.23 -0.74 1.05 -0.89 0.23 0.00 0.00 176.35 176.23 2yuj s THR 67 N 1.33 4.19 0.10 5.49 2.01 -1.02 -2.52 115.64 125.22 2yuj s THR 67 Ca 0.37 -0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 2yuj s THR 67 Cb -0.05 -4.75 -0.10 0.00 0.01 0.00 0.00 72.50 67.62 2yuj s THR 67 CO -0.04 -1.56 1.76 0.21 -0.69 0.00 0.00 174.62 174.30 2yuj s ASN 68 N 3.71 6.50 -0.50 3.53 3.84 -0.57 -3.02 114.94 128.43 2yuj s ASN 68 Ca 0.26 2.65 0.02 0.00 0.21 0.00 0.00 52.86 55.99 2yuj s ASN 68 Cb -0.14 -2.57 0.54 0.00 -0.55 0.00 0.00 41.25 38.53 2yuj s ASN 68 CO 0.10 -0.96 1.92 0.29 -2.79 0.00 0.00 177.10 175.67 2yuj n LYS 69 N 5.64 2.32 0.00 0.43 5.02 -1.26 -3.15 118.16 127.16 2yuj n LYS 69 Ca 0.17 -2.88 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2yuj n LYS 69 Cb 0.39 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 2yuj n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2yuj n ASN 70 N -0.91 0.47 -0.32 4.39 5.03 -1.26 -4.84 115.26 117.81 2yuj n ASN 70 Ca 0.57 0.00 0.09 0.00 0.87 0.00 0.00 54.58 56.10 2yuj n ASN 70 Cb 1.22 0.00 0.17 0.00 -1.02 0.00 0.00 39.78 40.15 2yuj n ASN 70 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2yuj n SER 71 N -2.73 2.53 -3.17 6.41 7.64 -1.26 -4.96 113.62 118.08 2yuj n SER 71 Ca 0.00 -3.21 -0.22 0.00 1.01 0.00 0.00 58.87 56.44 2yuj n SER 71 Cb 0.34 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.08 2yuj n SER 71 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yuj n ASP 72 N -1.23 -4.80 -4.90 6.43 -0.08 -1.21 -4.95 116.55 105.81 2yuj n ASP 72 Ca 0.18 -0.32 -0.28 0.00 -1.51 0.00 0.00 54.79 52.86 2yuj n ASP 72 Cb 0.71 -3.92 0.02 0.00 2.34 0.00 0.00 41.12 40.26 2yuj n ASP 72 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2yuj s ARG 73 N -5.83 3.27 -0.13 -0.67 1.81 -1.19 -4.93 118.95 111.28 2yuj s ARG 73 Ca 0.34 0.29 -0.06 0.00 -1.72 0.00 0.00 55.73 54.59 2yuj s ARG 73 Cb -0.17 -2.23 0.06 0.00 -0.45 0.00 0.00 34.95 32.16 2yuj s ARG 73 CO 0.42 -0.55 0.29 1.41 -0.68 0.00 0.00 175.30 176.19 2yuj s MET 74 N -5.00 0.23 -0.19 3.54 -2.45 -1.26 -1.51 119.30 112.66 2yuj s MET 74 Ca 0.53 0.66 -0.11 0.00 -1.25 0.00 0.00 55.69 55.51 2yuj s MET 74 Cb -0.11 -0.06 0.06 0.00 1.25 0.00 0.00 34.83 35.97 2yuj s MET 74 CO 0.48 -0.20 0.46 0.99 1.05 0.00 0.00 175.02 177.80 2yuj s THR 75 N 1.64 -0.02 -0.42 10.11 2.01 -1.05 -4.87 115.64 123.04 2yuj s THR 75 Ca -0.06 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2yuj s THR 75 Cb -0.11 -0.67 0.06 0.00 0.01 0.00 0.00 72.50 71.80 2yuj s THR 75 CO -0.09 0.03 0.28 -1.00 -0.69 0.00 0.00 174.62 173.14 2yuj s HIS 76 N 1.28 3.29 0.63 4.92 3.76 -1.26 0.64 115.29 128.54 2yuj s HIS 76 Ca -0.08 -1.23 0.01 0.00 -0.15 0.00 0.00 55.06 53.61 2yuj s HIS 76 Cb -0.07 -2.86 0.08 0.00 1.11 0.00 0.00 32.58 30.84 2yuj s HIS 76 CO -0.12 -0.78 0.87 0.00 -0.85 0.00 0.00 174.74 173.86 2yuj s GLY 78 N -4.60 0.63 0.50 0.00 0.00 -1.25 -2.48 107.32 100.12 2yuj s GLY 78 Ca 0.62 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.74 2yuj s GLY 78 CO 0.41 -0.37 0.85 0.54 0.00 0.00 0.00 173.10 174.53 2yuj s VAL 79 N -0.17 4.81 0.34 1.40 0.11 -1.26 -1.56 120.40 124.07 2yuj s VAL 79 Ca 0.03 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2yuj s VAL 79 Cb -0.06 -3.83 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 2yuj s VAL 79 CO -0.00 -0.83 0.00 -0.11 -3.33 0.00 0.00 175.10 170.82 2yuj n LEU 80 N -2.11 -2.21 -4.78 2.54 7.94 -1.12 -4.75 117.00 112.52 2yuj n LEU 80 Ca 0.03 0.64 -0.32 0.00 -1.11 0.00 0.00 56.01 55.25 2yuj n LEU 80 Cb 0.54 2.18 -0.07 0.00 0.53 0.00 0.00 43.42 46.61 2yuj n LEU 80 CO 0.53 -0.20 -0.26 -0.70 -1.11 0.00 0.00 177.39 175.65 2yuj s GLU 81 N -2.00 2.99 -0.53 1.96 2.12 -1.13 -5.06 118.70 117.05 2yuj s GLU 81 Ca 0.00 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2yuj s GLU 81 Cb 0.00 -2.80 0.14 0.00 0.26 0.00 0.00 34.13 31.73 2yuj s GLU 81 CO 0.00 0.61 0.32 -0.06 -0.54 0.00 0.00 175.26 175.59 2yuj s PHE 82 N -1.28 2.65 -0.07 5.30 0.08 -1.26 -2.22 117.98 121.19 2yuj s PHE 82 Ca 0.26 -2.87 0.07 0.00 0.12 0.00 0.00 56.93 54.51 2yuj s PHE 82 Cb -0.12 -2.28 0.16 0.00 -0.57 0.00 0.00 43.02 40.20 2yuj s PHE 82 CO 0.17 -0.72 1.12 1.33 -0.10 0.00 0.00 175.22 177.03 2yuj n VAL 83 N 2.97 0.05 -2.84 -0.44 0.24 -0.84 -4.23 118.33 113.24 2yuj n VAL 83 Ca 0.12 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.74 2yuj n VAL 83 Cb 0.35 0.70 0.02 0.00 -1.47 0.00 0.00 33.84 33.44 2yuj n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yuj s ALA 84 N -0.14 3.73 0.65 2.33 0.00 -1.02 -4.90 121.76 122.41 2yuj s ALA 84 Ca 0.08 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2yuj s ALA 84 Cb 0.15 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 21.10 2yuj s ALA 84 CO -0.05 -0.51 1.00 -0.51 0.00 0.00 0.00 175.76 175.69 2yuj s ASP 85 N -4.27 5.46 0.02 0.00 1.01 -1.25 -4.03 116.67 113.61 2yuj s ASP 85 Ca 0.51 0.87 -0.30 0.00 0.71 0.00 0.00 52.55 54.34 2yuj s ASP 85 Cb -0.10 -1.75 -0.08 0.00 1.01 0.00 0.00 42.92 42.00 2yuj s ASP 85 CO 0.39 -1.23 1.75 -1.61 0.21 0.00 0.00 175.17 174.68 2yuj s GLU 86 N -5.17 4.17 -0.78 8.23 8.01 -1.26 -2.14 118.70 129.75 2yuj s GLU 86 Ca 0.56 2.37 -0.02 0.00 0.01 0.00 0.00 54.97 57.90 2yuj s GLU 86 Cb -0.11 -3.90 0.00 0.00 -4.31 0.00 0.00 34.13 25.81 2yuj s GLU 86 CO 0.48 -0.84 0.21 0.41 0.01 0.00 0.00 175.26 175.53 2yuj n GLY 87 N 4.21 0.06 2.79 -1.39 0.00 -1.26 -5.01 105.19 104.59 2yuj n GLY 87 Ca 0.18 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 2yuj n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yuj s ILE 88 N -2.74 -0.41 -0.21 -0.61 1.01 -0.91 -4.19 121.20 113.14 2yuj s ILE 88 Ca 0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 2yuj s ILE 88 Cb -0.05 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 2yuj s ILE 88 CO 0.13 -0.49 0.23 0.00 0.00 0.00 0.00 174.94 174.80 2yuj s TYR 90 N 0.87 3.52 0.07 0.00 2.02 -1.01 -1.93 117.35 120.89 2yuj s TYR 90 Ca 0.12 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 2yuj s TYR 90 Cb -0.13 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.74 2yuj s TYR 90 CO 0.04 0.11 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.55 2yuj s LEU 91 N 0.79 2.39 0.00 -1.29 1.02 -0.84 -2.59 118.68 118.16 2yuj s LEU 91 Ca 0.30 -0.79 -0.07 0.00 0.02 0.00 0.00 54.13 53.59 2yuj s LEU 91 Cb -0.16 -0.09 0.11 0.00 0.02 0.00 0.00 46.19 46.07 2yuj s LEU 91 CO 0.13 -0.36 0.25 -2.65 0.02 0.00 0.00 176.35 173.74 2yuj n PRO 92 N 0.67 -1.45 -0.05 1.29 -0.02 -1.26 -3.09 135.00 131.08 2yuj n PRO 92 Ca -0.17 -0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 60.73 2yuj n PRO 92 Cb 0.58 -0.70 -0.14 0.00 -0.02 0.00 0.00 33.50 33.22 2yuj n PRO 92 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2yuj n HIS 93 N -3.63 0.65 -0.12 6.00 -0.00 -1.26 -3.70 115.22 113.16 2yuj n HIS 93 Ca 0.04 0.17 -0.04 0.00 0.46 0.00 0.00 57.72 58.36 2yuj n HIS 93 Cb 0.17 -1.10 0.18 0.00 -0.12 0.00 0.00 29.99 29.12 2yuj n HIS 93 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 2yuj h TRP 94 N 0.02 0.85 -0.27 1.57 5.08 -1.93 -1.56 115.95 119.71 2yuj h TRP 94 Ca -0.46 -0.09 -0.18 0.00 1.08 0.00 0.00 58.89 59.24 2yuj h TRP 94 Cb 2.03 -0.24 -0.00 0.00 -3.00 0.00 0.00 29.16 27.95 2yuj h TRP 94 CO 0.03 0.74 -0.55 1.98 -1.28 0.00 0.00 178.44 179.37 2yuj h MET 95 N 0.78 0.81 -0.35 0.12 4.05 -1.89 0.33 114.93 118.78 2yuj h MET 95 Ca 0.16 -0.51 -0.03 0.00 -0.28 0.00 0.00 59.70 59.04 2yuj h MET 95 Cb 0.36 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2yuj h MET 95 CO 0.01 1.14 0.08 0.52 0.23 0.00 0.00 176.91 178.90 2yuj h MET 96 N 0.62 0.55 -0.23 0.39 2.86 -1.58 -2.01 114.93 115.54 2yuj h MET 96 Ca 0.01 -0.13 -0.20 0.00 -2.06 0.00 0.00 59.70 57.32 2yuj h MET 96 Cb 1.14 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2yuj h MET 96 CO 0.12 0.60 -0.64 0.37 1.06 0.00 0.00 176.91 178.42 2yuj h GLN 97 N 0.41 0.81 -0.22 1.72 5.75 -1.30 0.25 115.11 122.51 2yuj h GLN 97 Ca 0.11 -0.57 0.01 0.00 -0.15 0.00 0.00 58.65 58.05 2yuj h GLN 97 Cb 0.30 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2yuj h GLN 97 CO 0.00 1.19 0.15 -0.97 -2.65 0.00 0.00 178.83 176.55 2yuj h ASN 98 N 0.59 0.22 0.08 -0.69 -1.24 -0.84 -1.33 115.58 112.37 2yuj h ASN 98 Ca -0.01 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2yuj h ASN 98 Cb 1.25 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.25 2yuj h ASN 98 CO 0.14 0.15 -0.80 0.18 -1.29 0.00 0.00 177.43 175.81 2yuj n LEU 99 N -4.50 1.12 -2.43 0.34 4.77 -0.77 -4.90 117.00 110.63 2yuj n LEU 99 Ca 0.01 -0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 55.33 2yuj n LEU 99 Cb 0.11 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2yuj n LEU 99 CO 0.35 0.25 -0.07 0.18 -1.33 0.00 0.00 177.39 176.77 2yuj n LEU 100 N -1.19 -2.31 -4.73 2.23 4.77 -0.08 -4.93 117.00 110.77 2yuj n LEU 100 Ca 0.06 -0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.48 2yuj n LEU 100 Cb 0.36 -2.61 -0.06 0.00 -2.33 0.00 0.00 43.42 38.78 2yuj n LEU 100 CO 0.38 0.08 0.16 -0.76 -1.33 0.00 0.00 177.39 175.92 2yuj s LEU 101 N -5.57 4.28 0.90 2.23 1.43 -0.32 -5.02 118.68 116.61 2yuj s LEU 101 Ca 0.18 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 2yuj s LEU 101 Cb -0.08 -2.67 0.19 0.00 0.03 0.00 0.00 46.19 43.66 2yuj s LEU 101 CO 0.22 0.02 1.23 -0.70 0.23 0.00 0.00 176.35 177.35 2yuj s GLU 102 N 0.56 0.84 -0.75 1.70 2.12 -1.26 -4.72 118.70 117.18 2yuj s GLU 102 Ca 0.25 -0.73 -0.26 0.00 0.36 0.00 0.00 54.97 54.60 2yuj s GLU 102 Cb -0.15 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.19 2yuj s GLU 102 CO 0.10 -2.19 2.01 -1.21 -0.54 0.00 0.00 175.26 173.44 2yuj s GLU 103 N -5.67 2.42 0.00 4.30 2.02 -1.26 -2.65 118.70 117.85 2yuj s GLU 103 Ca 0.73 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.98 2yuj s GLU 103 Cb -0.03 -4.76 0.00 0.00 0.10 0.00 0.00 34.13 29.44 2yuj s GLU 103 CO 0.51 -3.28 0.00 0.41 0.02 0.00 0.00 175.26 172.92 2yuj n GLY 104 N 6.38 0.96 3.60 -1.39 0.00 0.16 -5.01 105.19 109.87 2yuj n GLY 104 Ca 0.34 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 2yuj n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yuj s GLY 105 N -1.78 1.90 -0.01 -0.02 0.00 -1.09 -4.73 107.32 101.60 2yuj s GLY 105 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 2yuj s GLY 105 CO 0.00 0.84 1.26 1.08 0.00 0.00 0.00 173.10 176.28 2yuj s LEU 106 N 1.93 4.31 0.02 0.66 1.43 -1.26 -1.90 118.68 123.89 2yuj s LEU 106 Ca 0.11 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.23 2yuj s LEU 106 Cb -0.16 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 2yuj s LEU 106 CO 0.10 -0.59 -0.17 -0.69 0.23 0.00 0.00 176.35 175.23 2yuj s VAL 107 N 1.94 1.35 -0.46 -1.59 1.01 -0.94 -4.72 120.40 117.00 2yuj s VAL 107 Ca 0.59 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2yuj s VAL 107 Cb -0.28 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2yuj s VAL 107 CO 0.25 0.19 1.92 -1.58 0.00 0.00 0.00 175.10 175.88 2yuj s GLN 108 N -0.91 2.88 -0.00 2.72 2.00 -1.17 -3.12 119.66 122.06 2yuj s GLN 108 Ca 0.05 1.13 -0.19 0.00 -2.00 0.00 0.00 55.36 54.35 2yuj s GLN 108 Cb -0.08 -4.33 -0.06 0.00 0.80 0.00 0.00 33.01 29.35 2yuj s GLN 108 CO 0.01 -2.40 0.53 0.08 -0.50 0.00 0.00 175.29 173.01 2yuj s VAL 109 N 8.53 4.94 0.01 1.34 1.01 0.29 -2.43 120.40 134.08 2yuj s VAL 109 Ca 0.78 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.84 2yuj s VAL 109 Cb -0.18 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2yuj s VAL 109 CO 0.28 0.47 0.05 -1.61 0.00 0.00 0.00 175.10 174.28 2yuj s GLU 110 N -0.45 0.33 -0.31 2.72 0.41 -1.11 -2.07 118.70 118.21 2yuj s GLU 110 Ca 0.28 -0.41 -0.09 0.00 -0.41 0.00 0.00 54.97 54.34 2yuj s GLU 110 Cb -0.18 0.13 -0.00 0.00 -1.78 0.00 0.00 34.13 32.30 2yuj s GLU 110 CO 0.16 -0.07 0.15 -1.54 -0.49 0.00 0.00 175.26 173.47 2yuj s SER 111 N -1.17 5.53 0.33 -0.19 1.04 -1.09 -0.58 113.70 117.58 2yuj s SER 111 Ca -0.13 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.76 2yuj s SER 111 Cb -0.07 -1.99 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 2yuj s SER 111 CO 0.00 -0.21 0.10 0.68 0.98 0.00 0.00 173.24 174.80 2yuj s VAL 112 N 1.60 0.75 -0.30 5.02 -7.23 -1.25 -4.80 120.40 114.19 2yuj s VAL 112 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2yuj s VAL 112 Cb -0.17 -2.59 0.10 0.00 0.56 0.00 0.00 36.38 34.28 2yuj s VAL 112 CO 0.06 0.00 0.10 0.21 -0.31 0.00 0.00 175.10 175.16 2yuj s ASN 113 N -3.47 3.91 0.81 4.85 3.84 -1.26 -4.27 114.94 119.36 2yuj s ASN 113 Ca 0.33 -1.55 -0.05 0.00 0.21 0.00 0.00 52.86 51.80 2yuj s ASN 113 Cb 0.06 -0.75 0.17 0.00 -0.55 0.00 0.00 41.25 40.19 2yuj s ASN 113 CO 0.15 -0.42 1.11 0.18 -2.79 0.00 0.00 177.10 175.33 2yuj n LEU 114 N 4.94 0.00 -4.54 3.21 4.77 -1.26 -5.10 117.00 119.02 2yuj n LEU 114 Ca -0.03 -1.99 -0.25 0.00 -0.03 0.00 0.00 56.01 53.71 2yuj n LEU 114 Cb 0.42 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 2yuj n LEU 114 CO 0.10 -1.12 -0.28 0.00 -1.33 0.00 0.00 177.39 174.75 2yuj s GLN 115 N -5.38 1.82 0.45 3.23 0.00 -1.26 -4.63 119.66 113.88 2yuj s GLN 115 Ca 0.70 -2.02 -0.25 0.00 -0.00 0.00 0.00 55.36 53.79 2yuj s GLN 115 Cb -0.03 -1.26 -0.08 0.00 0.00 0.00 0.00 33.01 31.64 2yuj s GLN 115 CO 0.47 -0.12 1.32 0.14 0.00 0.00 0.00 175.29 177.10 2yuj s VAL 116 N -2.99 2.48 0.49 3.63 -7.23 -1.16 0.15 120.40 115.77 2yuj s VAL 116 Ca 0.35 0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 60.81 2yuj s VAL 116 Cb 0.09 -3.23 -0.06 0.00 0.56 0.00 0.00 36.38 33.74 2yuj s VAL 116 CO 0.17 0.04 0.89 0.00 -0.31 0.00 0.00 175.10 175.88 2yuj s ALA 117 N -1.30 3.22 -0.03 1.32 0.00 -1.26 -4.64 121.76 119.08 2yuj s ALA 117 Ca 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2yuj s ALA 117 Cb -0.38 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2yuj s ALA 117 CO 0.48 -0.25 -0.03 0.25 0.00 0.00 0.00 175.76 176.21 2yuj n THR 118 N -1.79 0.18 -3.80 0.00 -2.24 -1.06 -4.58 114.28 100.98 2yuj n THR 118 Ca 0.04 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2yuj n THR 118 Cb 0.54 -0.61 -0.13 0.00 -2.10 0.00 0.00 70.33 68.03 2yuj n THR 118 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2yuj s TYR 119 N -2.06 2.71 -0.27 4.78 5.04 -1.26 0.64 117.35 126.92 2yuj s TYR 119 Ca -0.04 -2.91 -0.11 0.00 -2.44 0.00 0.00 57.07 51.58 2yuj s TYR 119 Cb 0.01 -2.28 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 2yuj s TYR 119 CO 0.07 -0.70 0.18 -1.12 -1.34 0.00 0.00 175.55 172.64 2yuj s SER 120 N -0.43 5.98 0.09 4.32 0.01 -1.17 -1.41 113.70 121.08 2yuj s SER 120 Ca 0.22 -0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.52 2yuj s SER 120 Cb -0.15 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2yuj s SER 120 CO -0.08 -0.04 -0.02 -0.75 0.41 0.00 0.00 173.24 172.77 2yuj s LYS 121 N 1.69 2.48 0.17 12.44 2.20 0.17 -1.53 119.74 137.37 2yuj s LYS 121 Ca 0.07 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 2yuj s LYS 121 Cb -0.16 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2yuj s LYS 121 CO 0.10 0.54 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.56 2yuj s PHE 122 N -1.28 1.22 -0.37 4.03 0.40 -1.19 -2.50 117.98 118.29 2yuj s PHE 122 Ca 0.24 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.62 2yuj s PHE 122 Cb -0.12 -0.69 0.16 0.00 0.51 0.00 0.00 43.02 42.88 2yuj s PHE 122 CO 0.17 -0.18 0.39 -1.14 0.70 0.00 0.00 175.22 175.15 2yuj s GLN 123 N -3.90 0.66 0.01 0.44 0.74 -0.77 -2.56 119.66 114.29 2yuj s GLN 123 Ca 0.23 -0.87 -0.36 0.00 0.05 0.00 0.00 55.36 54.42 2yuj s GLN 123 Cb 0.06 -0.70 -0.14 0.00 1.10 0.00 0.00 33.01 33.32 2yuj s GLN 123 CO 0.04 -1.20 1.61 -2.30 -0.55 0.00 0.00 175.29 172.88 2yuj n PRO 124 N 4.21 1.72 0.10 1.67 -0.02 -1.26 -3.66 135.00 137.75 2yuj n PRO 124 Ca 0.11 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 2yuj n PRO 124 Cb 0.45 -2.36 0.09 0.00 -0.02 0.00 0.00 33.50 31.66 2yuj n PRO 124 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2yuj h GLN 125 N 6.48 0.16 -6.14 -0.52 7.50 -1.91 -3.44 115.11 117.24 2yuj h GLN 125 Ca -0.47 -0.13 -0.65 0.00 0.50 0.00 0.00 58.65 57.90 2yuj h GLN 125 Cb 1.29 0.03 -0.10 0.00 0.05 0.00 0.00 27.48 28.75 2yuj h GLN 125 CO 0.88 0.79 -0.60 -1.12 -1.50 0.00 0.00 178.83 177.28 2yuj s SER 126 N -6.89 5.50 0.14 1.46 0.01 -1.26 -5.01 113.70 107.65 2yuj s SER 126 Ca -0.03 0.02 0.22 0.00 1.31 0.00 0.00 55.95 57.47 2yuj s SER 126 Cb 0.12 -1.49 0.87 0.00 0.21 0.00 0.00 66.02 65.72 2yuj s SER 126 CO 0.80 0.21 1.66 -0.81 0.41 0.00 0.00 173.24 175.51 2yuj n PRO 127 N 0.74 0.12 -0.31 12.44 -0.04 -1.26 -3.39 135.00 143.30 2yuj n PRO 127 Ca -0.10 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 2yuj n PRO 127 Cb 0.52 -1.70 0.18 0.00 -0.04 0.00 0.00 33.50 32.47 2yuj n PRO 127 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2yuj h ASP 128 N 0.00 0.76 0.07 3.54 3.32 -1.97 -0.67 116.42 121.47 2yuj h ASP 128 Ca 0.00 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.95 2yuj h ASP 128 Cb 0.39 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2yuj h ASP 128 CO 0.00 0.43 -0.51 0.15 -1.72 0.00 0.00 179.24 177.59 2yuj h PHE 129 N 0.86 0.60 0.00 4.55 3.57 -1.92 -2.95 116.94 121.66 2yuj h PHE 129 Ca 0.42 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2yuj h PHE 129 Cb 0.38 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2yuj h PHE 129 CO -0.04 0.90 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.54 2yuj h LEU 130 N 0.39 0.00 -2.12 0.59 3.38 -1.39 -2.38 115.31 113.78 2yuj h LEU 130 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2yuj h LEU 130 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2yuj h LEU 130 CO 0.09 0.32 -0.07 -0.78 0.09 0.00 0.00 178.44 178.10 2yuj h ASP 131 N 0.00 0.00 -3.78 -0.43 1.82 -0.99 -3.43 116.42 109.61 2yuj h ASP 131 Ca -0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 2yuj h ASP 131 Cb 0.58 0.00 0.08 0.00 0.68 0.00 0.00 39.33 40.68 2yuj h ASP 131 CO 0.04 0.07 0.75 -0.63 -1.61 0.00 0.00 179.24 177.86 2yuj s ILE 132 N -4.50 2.34 0.18 2.25 1.01 -0.90 -4.92 121.20 116.67 2yuj s ILE 132 Ca -0.04 0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2yuj s ILE 132 Cb 0.15 -3.21 0.06 0.00 0.01 0.00 0.00 42.46 39.47 2yuj s ILE 132 CO 0.59 0.07 1.63 0.00 0.00 0.00 0.00 174.94 177.23 2yuj h THR 133 N 3.12 1.27 -2.85 2.92 1.03 -1.88 -3.36 112.91 113.15 2yuj h THR 133 Ca -0.49 -1.20 -0.61 0.00 -0.01 0.00 0.00 66.41 64.10 2yuj h THR 133 Cb 1.23 0.88 -0.41 0.00 -1.07 0.00 0.00 68.15 68.78 2yuj h THR 133 CO 0.68 0.43 -0.71 0.21 -0.01 0.00 0.00 175.52 176.12 2yuj s ASN 134 N -6.62 3.70 0.38 0.00 2.47 -1.26 -4.96 114.94 108.65 2yuj s ASN 134 Ca -0.11 -3.57 0.10 0.00 0.42 0.00 0.00 52.86 49.70 2yuj s ASN 134 Cb 0.13 -1.24 0.86 0.00 -1.45 0.00 0.00 41.25 39.56 2yuj s ASN 134 CO 0.86 -0.12 1.91 -0.65 -3.72 0.00 0.00 177.10 175.38 2yuj h PRO 135 N 5.52 0.62 -0.59 0.43 0.11 -1.85 -0.82 132.00 135.41 2yuj h PRO 135 Ca 0.18 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.27 2yuj h PRO 135 Cb 0.81 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 2yuj h PRO 135 CO 0.60 0.41 0.39 0.87 -0.21 0.00 0.00 178.00 180.06 2yuj h LYS 136 N 0.63 0.75 -0.35 1.05 1.57 -1.96 0.61 116.57 118.88 2yuj h LYS 136 Ca 0.39 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 2yuj h LYS 136 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2yuj h LYS 136 CO -0.15 0.49 -0.29 0.00 -0.57 0.00 0.00 179.45 178.93 2yuj h ALA 137 N 1.64 0.84 0.04 3.86 0.00 -1.57 0.78 119.26 124.83 2yuj h ALA 137 Ca 0.22 -0.40 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 2yuj h ALA 137 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2yuj h ALA 137 CO -0.05 0.64 -1.26 0.28 0.00 0.00 0.00 179.25 178.85 2yuj h VAL 138 N 0.63 1.42 -0.04 0.00 2.07 -1.23 -2.99 116.25 116.10 2yuj h VAL 138 Ca 0.07 -3.13 -0.25 0.00 0.82 0.00 0.00 66.70 64.22 2yuj h VAL 138 Cb 0.81 2.76 0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2yuj h VAL 138 CO 0.07 0.84 -0.95 0.25 0.02 0.00 0.00 177.57 177.80 2yuj h LEU 139 N 0.02 0.84 -0.87 2.57 5.85 0.26 -3.14 115.31 120.84 2yuj h LEU 139 Ca -0.12 -0.64 -0.12 0.00 0.84 0.00 0.00 57.88 57.84 2yuj h LEU 139 Cb 1.89 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2yuj h LEU 139 CO 0.14 1.43 -0.52 -0.33 -0.34 0.00 0.00 178.44 178.82 2yuj h GLU 140 N 0.40 0.12 -0.07 1.25 4.39 -0.96 -0.69 114.58 119.02 2yuj h GLU 140 Ca -0.10 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 2yuj h GLU 140 Cb 1.59 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 2yuj h GLU 140 CO 0.18 0.61 -0.27 -0.91 -1.16 0.00 0.00 179.01 177.46 2yuj h ASN 141 N 0.10 0.12 0.13 1.42 2.35 -1.53 -2.29 115.58 115.88 2yuj h ASN 141 Ca 0.00 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.38 2yuj h ASN 141 Cb 0.95 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2yuj h ASN 141 CO 0.07 0.40 -1.77 0.00 -1.65 0.00 0.00 177.43 174.48 2yuj h ALA 142 N 1.61 0.30 -0.04 -0.83 0.00 -1.47 -3.35 119.26 115.48 2yuj h ALA 142 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 54.91 53.69 2yuj h ALA 142 Cb 0.55 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2yuj h ALA 142 CO 0.04 1.10 0.04 -0.07 0.00 0.00 0.00 179.25 180.36 2yuj h LEU 143 N -0.06 0.00 -2.00 0.00 3.38 -1.08 -1.32 115.31 114.23 2yuj h LEU 143 Ca -0.38 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.68 2yuj h LEU 143 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2yuj h LEU 143 CO 0.09 0.00 0.22 0.03 0.09 0.00 0.00 178.44 178.87 2yuj h ARG 144 N 0.00 0.00 0.08 1.13 3.08 -1.54 -2.20 114.38 114.92 2yuj h ARG 144 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2yuj h ARG 144 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 2yuj h ARG 144 CO -0.00 0.00 -0.56 -0.97 -1.07 0.00 0.00 179.97 177.37 2yuj h ASN 145 N 0.00 0.35 -3.23 7.04 -0.00 -1.45 -3.46 115.58 114.84 2yuj h ASN 145 Ca 0.14 -0.92 -0.53 0.00 -0.00 0.00 0.00 56.30 54.99 2yuj h ASN 145 Cb 0.58 -0.11 0.08 0.00 -0.00 0.00 0.00 38.32 38.86 2yuj h ASN 145 CO -0.00 1.24 0.89 -0.36 -0.00 0.00 0.00 177.43 179.20 2yuj s PHE 146 N -2.54 2.81 -0.16 0.67 0.40 -0.83 -3.90 117.98 114.42 2yuj s PHE 146 Ca -0.15 0.74 0.18 0.00 -0.60 0.00 0.00 56.93 57.10 2yuj s PHE 146 Cb 0.00 -4.05 -0.25 0.00 0.51 0.00 0.00 43.02 39.23 2yuj s PHE 146 CO 0.79 -3.59 0.22 0.00 0.70 0.00 0.00 175.22 173.33 2yuj n ALA 147 N 2.50 1.67 -2.29 5.36 0.00 -1.26 -4.75 120.51 121.73 2yuj n ALA 147 Ca 0.09 -1.14 -0.16 0.00 0.00 0.00 0.00 53.44 52.23 2yuj n ALA 147 Cb 0.37 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.37 2yuj n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuj s LEU 149 N -3.26 -0.42 -0.04 0.00 1.43 -1.06 -4.96 118.68 110.37 2yuj s LEU 149 Ca 0.30 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2yuj s LEU 149 Cb 0.07 2.30 0.01 0.00 0.03 0.00 0.00 46.19 48.60 2yuj s LEU 149 CO 0.09 -0.49 -0.06 -0.89 0.23 0.00 0.00 176.35 175.22 2yuj s THR 150 N -0.80 0.65 -0.30 5.49 2.01 -1.24 -2.50 115.64 118.95 2yuj s THR 150 Ca -0.08 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 2yuj s THR 150 Cb -0.02 -0.62 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 2yuj s THR 150 CO 0.07 0.23 2.29 0.41 -0.69 0.00 0.00 174.62 176.93 2yuj n THR 151 N 3.74 0.22 0.00 -0.82 -1.04 -1.17 -2.25 114.28 112.95 2yuj n THR 151 Ca -0.23 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 2yuj n THR 151 Cb 0.52 -2.65 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 2yuj n THR 151 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yuj n GLY 152 N 5.85 1.96 3.20 3.41 0.00 -0.43 -5.03 105.19 114.14 2yuj n GLY 152 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 2yuj n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuj s ASP 153 N -2.00 2.67 -0.35 1.61 1.01 -0.95 -4.98 116.67 113.67 2yuj s ASP 153 Ca 0.00 -0.45 -0.20 0.00 0.71 0.00 0.00 52.55 52.61 2yuj s ASP 153 Cb 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 43.10 2yuj s ASP 153 CO 0.00 0.19 0.62 -0.69 0.21 0.00 0.00 175.17 175.50 2yuj s VAL 154 N 0.03 4.91 -0.23 -1.27 1.01 -1.26 -2.88 120.40 120.70 2yuj s VAL 154 Ca -0.06 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 2yuj s VAL 154 Cb -0.14 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2yuj s VAL 154 CO 0.04 -0.30 -0.05 0.27 0.00 0.00 0.00 175.10 175.07 2yuj s ILE 155 N 2.67 3.23 0.25 2.22 -4.36 -0.83 -4.80 121.20 119.57 2yuj s ILE 155 Ca 0.24 -0.66 -0.27 0.00 -0.26 0.00 0.00 60.65 59.70 2yuj s ILE 155 Cb -0.15 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 2yuj s ILE 155 CO 0.14 0.35 0.89 0.00 0.24 0.00 0.00 174.94 176.56 2yuj s ALA 156 N 1.43 3.33 0.03 2.27 0.00 -1.26 -3.48 121.76 124.09 2yuj s ALA 156 Ca 0.04 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2yuj s ALA 156 Cb -0.15 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2yuj s ALA 156 CO -0.04 0.23 -0.08 0.96 0.00 0.00 0.00 175.76 176.83 2yuj s ILE 157 N -1.32 0.61 0.05 0.00 -4.36 -1.20 -4.76 121.20 110.21 2yuj s ILE 157 Ca 0.43 -0.89 -0.04 0.00 -0.26 0.00 0.00 60.65 59.88 2yuj s ILE 157 Cb -0.23 -0.62 -0.02 0.00 1.25 0.00 0.00 42.46 42.85 2yuj s ILE 157 CO 0.28 -0.22 0.07 0.21 0.24 0.00 0.00 174.94 175.52 2yuj s ASN 158 N -1.21 0.25 0.00 4.36 3.84 -1.26 -0.35 114.94 120.57 2yuj s ASN 158 Ca -0.06 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.36 2yuj s ASN 158 Cb -0.08 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.85 2yuj s ASN 158 CO 0.00 -0.55 0.00 0.00 -2.79 0.00 0.00 177.10 173.77 2yuj n TYR 159 N 0.55 -0.24 -1.43 0.43 4.11 -1.26 -4.97 117.16 114.36 2yuj n TYR 159 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.38 2yuj n TYR 159 Cb 0.59 0.05 0.07 0.00 -0.00 0.00 0.00 39.34 40.05 2yuj n TYR 159 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2yuj n ASN 160 N -1.30 7.50 -2.50 9.48 5.15 -1.26 -4.83 115.26 127.49 2yuj n ASN 160 Ca 0.00 -3.79 -0.21 0.00 -0.60 0.00 0.00 54.58 49.98 2yuj n ASN 160 Cb 0.00 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 2yuj n ASN 160 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2yuj n GLU 161 N -0.88 -2.37 -3.71 1.20 1.02 -1.26 -4.97 120.64 109.67 2yuj n GLU 161 Ca 0.61 0.98 -0.12 0.00 -0.02 0.00 0.00 57.16 58.62 2yuj n GLU 161 Cb 0.65 -5.68 -0.10 0.00 -0.02 0.00 0.00 31.44 26.29 2yuj n GLU 161 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yuj s LYS 162 N -5.18 0.46 -0.55 3.49 1.02 -1.26 -5.12 119.74 112.59 2yuj s LYS 162 Ca 0.07 0.71 -0.25 0.00 0.02 0.00 0.00 55.97 56.52 2yuj s LYS 162 Cb -0.03 0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2yuj s LYS 162 CO 0.08 -0.11 0.98 0.42 -0.92 0.00 0.00 175.35 175.81 2yuj s ILE 163 N 0.84 4.33 -0.42 2.17 1.09 -1.26 -4.03 121.20 123.92 2yuj s ILE 163 Ca -0.05 0.40 -0.22 0.00 -1.10 0.00 0.00 60.65 59.68 2yuj s ILE 163 Cb -0.06 -4.57 0.02 0.00 -1.06 0.00 0.00 42.46 36.79 2yuj s ILE 163 CO -0.07 -1.15 0.73 -0.31 -0.10 0.00 0.00 174.94 174.05 2yuj s TYR 164 N 4.11 3.05 0.31 3.97 1.51 0.53 -4.90 117.35 125.94 2yuj s TYR 164 Ca 0.33 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.30 2yuj s TYR 164 Cb -0.12 -3.46 -0.10 0.00 -0.11 0.00 0.00 41.96 38.17 2yuj s TYR 164 CO 0.20 -0.86 1.35 -1.21 -1.11 0.00 0.00 175.55 173.93 2yuj s GLU 165 N 3.05 4.32 -0.26 -0.62 2.02 -1.26 -3.24 118.70 122.71 2yuj s GLU 165 Ca 0.27 2.25 -0.07 0.00 0.02 0.00 0.00 54.97 57.45 2yuj s GLU 165 Cb -0.13 -3.08 0.12 0.00 0.10 0.00 0.00 34.13 31.14 2yuj s GLU 165 CO 0.20 -0.27 0.54 -0.51 0.02 0.00 0.00 175.26 175.23 2yuj s LEU 166 N -1.38 -0.96 -0.06 1.80 1.43 -1.23 -2.95 118.68 115.33 2yuj s LEU 166 Ca 0.52 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.85 2yuj s LEU 166 Cb -0.41 1.86 -0.02 0.00 0.03 0.00 0.00 46.19 47.66 2yuj s LEU 166 CO 0.51 -0.23 -0.17 -0.60 0.23 0.00 0.00 176.35 176.08 2yuj s ARG 167 N 2.77 2.62 -0.43 1.70 3.52 -1.24 -1.97 118.95 125.92 2yuj s ARG 167 Ca 0.00 -0.76 -0.28 0.00 -0.13 0.00 0.00 55.73 54.56 2yuj s ARG 167 Cb -0.13 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.92 2yuj s ARG 167 CO -0.17 0.51 1.48 0.08 -0.81 0.00 0.00 175.30 176.39 2yuj s VAL 168 N -0.44 3.81 -0.05 7.11 1.01 -1.14 -1.84 120.40 128.86 2yuj s VAL 168 Ca 0.05 0.80 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 2yuj s VAL 168 Cb -0.12 -4.15 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 2yuj s VAL 168 CO 0.02 -0.77 1.00 0.24 0.00 0.00 0.00 175.10 175.59 2yuj h MET 169 N 11.22 0.20 -3.74 2.72 2.86 -1.79 -1.15 114.93 125.26 2yuj h MET 169 Ca -0.28 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.01 2yuj h MET 169 Cb 1.11 0.07 -0.17 0.00 0.06 0.00 0.00 31.60 32.68 2yuj h MET 169 CO 1.10 0.99 -0.46 -2.00 1.06 0.00 0.00 176.91 177.59 2yuj s GLU 170 N -2.98 0.67 -0.28 1.72 2.12 -1.20 -4.66 118.70 114.09 2yuj s GLU 170 Ca -0.16 -0.77 -0.19 0.00 0.36 0.00 0.00 54.97 54.22 2yuj s GLU 170 Cb 0.01 0.27 0.08 0.00 0.26 0.00 0.00 34.13 34.74 2yuj s GLU 170 CO 0.76 -0.18 0.70 0.95 -0.54 0.00 0.00 175.26 176.94 2yuj s THR 171 N -2.87 0.00 0.23 -1.70 -4.23 -1.25 0.44 115.64 106.26 2yuj s THR 171 Ca -0.03 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.56 2yuj s THR 171 Cb 0.00 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.80 2yuj s THR 171 CO -0.06 0.00 0.09 -0.54 -0.54 0.00 0.00 174.62 173.57 2yuj s LYS 172 N 1.27 2.64 0.30 3.99 1.02 -0.50 -3.69 119.74 124.76 2yuj s LYS 172 Ca -0.07 -1.14 0.15 0.00 0.02 0.00 0.00 55.97 54.93 2yuj s LYS 172 Cb -0.05 -2.42 0.33 0.00 -0.52 0.00 0.00 37.83 35.17 2yuj s LYS 172 CO -0.14 0.41 1.57 -1.00 -0.92 0.00 0.00 175.35 175.27 2yuj h PRO 173 N 1.99 0.00 -5.07 -1.68 0.13 -1.91 -2.82 132.00 122.63 2yuj h PRO 173 Ca -0.47 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.04 2yuj h PRO 173 Cb 1.23 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.23 2yuj h PRO 173 CO 0.60 0.53 -0.50 0.34 -0.23 0.00 0.00 178.00 178.74 2yuj s ASP 174 N -6.52 3.46 0.12 1.44 2.15 -1.24 -5.06 116.67 111.02 2yuj s ASP 174 Ca 0.01 -1.71 -0.19 0.00 0.43 0.00 0.00 52.55 51.09 2yuj s ASP 174 Cb 0.10 0.62 -0.06 0.00 -0.30 0.00 0.00 42.92 43.28 2yuj s ASP 174 CO 0.73 -0.95 1.78 0.07 -0.17 0.00 0.00 175.17 176.63 2yuj h LYS 175 N 1.54 0.29 -5.58 4.34 2.10 -1.92 -3.41 116.57 113.92 2yuj h LYS 175 Ca -0.38 -0.02 -0.60 0.00 -2.00 0.00 0.00 60.65 57.65 2yuj h LYS 175 Cb 1.30 -0.06 -0.10 0.00 -0.90 0.00 0.00 32.23 32.46 2yuj h LYS 175 CO 0.63 0.19 -0.01 0.00 -2.00 0.00 0.00 179.45 178.26 2yuj s ALA 176 N -6.17 3.54 0.03 0.07 0.00 -1.25 -3.06 121.76 114.91 2yuj s ALA 176 Ca -0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2yuj s ALA 176 Cb 0.09 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2yuj s ALA 176 CO 0.69 -0.44 -0.00 0.14 0.00 0.00 0.00 175.76 176.15 2yuj s VAL 177 N 1.64 0.13 -0.43 0.00 -7.23 -1.04 -4.65 120.40 108.83 2yuj s VAL 177 Ca 0.25 -1.10 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2yuj s VAL 177 Cb -0.16 -0.60 0.12 0.00 0.56 0.00 0.00 36.38 36.30 2yuj s VAL 177 CO 0.10 -0.61 0.23 -0.55 -0.31 0.00 0.00 175.10 173.96 2yuj s SER 178 N -1.83 5.24 -1.08 4.85 0.15 0.12 -2.57 113.70 118.59 2yuj s SER 178 Ca -0.10 -2.13 -0.17 0.00 0.70 0.00 0.00 55.95 54.25 2yuj s SER 178 Cb -0.05 -1.83 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 2yuj s SER 178 CO -0.03 -0.52 1.33 0.27 1.20 0.00 0.00 173.24 175.49 2yuj s ILE 179 N 1.00 4.75 -0.64 6.45 -4.36 -0.65 -2.98 121.20 124.77 2yuj s ILE 179 Ca 0.09 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2yuj s ILE 179 Cb -0.23 -4.89 0.16 0.00 1.25 0.00 0.00 42.46 38.76 2yuj s ILE 179 CO -0.04 -1.63 0.45 -0.63 0.24 0.00 0.00 174.94 173.32 2yuj s ILE 180 N 2.52 3.59 -0.48 8.37 -1.09 -1.26 -4.65 121.20 128.19 2yuj s ILE 180 Ca 0.40 -3.14 -0.11 0.00 -2.23 0.00 0.00 60.65 55.56 2yuj s ILE 180 Cb -0.03 -3.34 0.01 0.00 -1.58 0.00 0.00 42.46 37.52 2yuj s ILE 180 CO -0.04 -0.89 0.59 1.21 -1.23 0.00 0.00 174.94 174.58 2yuj n GLU 181 N 3.28 -2.01 -3.54 2.79 2.13 -1.26 -5.06 120.64 116.96 2yuj n GLU 181 Ca 0.09 1.89 -0.15 0.00 0.66 0.00 0.00 57.16 59.65 2yuj n GLU 181 Cb 0.37 -5.48 -0.06 0.00 0.27 0.00 0.00 31.44 26.54 2yuj n GLU 181 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yuj s ASP 183 N -1.15 6.02 0.25 0.00 1.01 -1.26 -5.07 116.67 116.48 2yuj s ASP 183 Ca -0.08 0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.40 2yuj s ASP 183 Cb -0.00 -2.03 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 2yuj s ASP 183 CO 0.07 0.20 0.12 0.00 0.21 0.00 0.00 175.17 175.77 2yuj s MET 184 N 0.20 1.40 -0.69 8.23 0.23 -1.26 -4.96 119.30 122.45 2yuj s MET 184 Ca 0.07 -1.76 -0.20 0.00 -1.03 0.00 0.00 55.69 52.77 2yuj s MET 184 Cb -0.12 -0.09 0.10 0.00 -1.53 0.00 0.00 34.83 33.19 2yuj s MET 184 CO -0.01 -0.35 0.89 1.21 -2.03 0.00 0.00 175.02 174.73 2yuj s ASN 185 N -3.29 6.29 0.16 -1.18 2.47 0.21 -4.99 114.94 114.60 2yuj s ASN 185 Ca 0.38 -1.43 -0.25 0.00 0.42 0.00 0.00 52.86 51.98 2yuj s ASN 185 Cb 0.07 -2.36 -0.08 0.00 -1.45 0.00 0.00 41.25 37.43 2yuj s ASN 185 CO 0.14 -1.21 0.77 -0.69 -3.72 0.00 0.00 177.10 172.39 2yuj s VAL 186 N 3.11 4.40 0.48 -5.21 1.01 -1.26 -3.04 120.40 119.88 2yuj s VAL 186 Ca 0.20 1.69 0.04 0.00 0.00 0.00 0.00 61.98 63.90 2yuj s VAL 186 Cb -0.17 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2yuj s VAL 186 CO 0.04 0.52 0.07 -0.62 0.00 0.00 0.00 175.10 175.11 2yuj s ASP 187 N -1.08 4.16 0.01 3.32 2.15 -0.58 -4.97 116.67 119.67 2yuj s ASP 187 Ca 0.36 -1.47 -0.02 0.00 0.43 0.00 0.00 52.55 51.85 2yuj s ASP 187 Cb -0.23 0.15 -0.01 0.00 -0.30 0.00 0.00 42.92 42.53 2yuj s ASP 187 CO 0.26 -0.74 0.03 -0.36 -0.17 0.00 0.00 175.17 174.19 2yuj s PHE 188 N -2.79 0.15 -0.38 -5.34 0.08 -1.26 -3.18 117.98 105.26 2yuj s PHE 188 Ca 0.21 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.95 2yuj s PHE 188 Cb 0.04 -0.12 0.14 0.00 -0.57 0.00 0.00 43.02 42.50 2yuj s PHE 188 CO 0.11 -0.19 0.22 0.34 -0.10 0.00 0.00 175.22 175.59 2yuj s ASP 189 N -1.21 3.27 0.00 1.36 2.15 -1.06 -4.95 116.67 116.22 2yuj s ASP 189 Ca -0.13 -2.31 0.16 0.00 0.43 0.00 0.00 52.55 50.70 2yuj s ASP 189 Cb -0.08 -0.65 0.97 0.00 -0.30 0.00 0.00 42.92 42.86 2yuj s ASP 189 CO -0.00 -0.30 1.37 0.00 -0.17 0.00 0.00 175.17 176.07