#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 -0.30 -0.10 1.61 0.15 -1.26 -5.06 113.70 108.75 2yuj s SER 2 Ca 0.00 0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 2yuj s SER 2 Cb 0.00 0.24 -0.26 0.00 -1.71 0.00 0.00 66.02 64.29 2yuj s SER 2 CO 0.00 -0.28 0.46 0.28 1.20 0.00 0.00 173.24 174.90 2yuj h SER 3 N 2.44 0.38 -2.72 5.45 0.02 -2.13 -3.48 113.55 113.51 2yuj h SER 3 Ca -0.16 -0.80 -0.42 0.00 -0.84 0.00 0.00 61.79 59.57 2yuj h SER 3 Cb 1.17 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 2yuj h SER 3 CO 0.29 1.71 -0.51 0.61 -1.14 0.00 0.00 176.83 177.79 2yuj n GLY 4 N 1.91 -0.13 2.99 -3.77 0.00 -1.26 -4.95 105.19 99.98 2yuj n GLY 4 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.16 4.64 0.15 1.61 0.01 -1.26 -5.06 113.70 111.63 2yuj s SER 5 Ca 0.00 -2.34 -0.18 0.00 1.31 0.00 0.00 55.95 54.73 2yuj s SER 5 Cb 0.00 -1.61 0.06 0.00 0.21 0.00 0.00 66.02 64.69 2yuj s SER 5 CO 0.00 -0.35 0.88 -1.54 0.41 0.00 0.00 173.24 172.65 2yuj n SER 6 N 4.00 -1.47 0.00 2.44 3.41 -1.26 -5.19 113.62 115.55 2yuj n SER 6 Ca 0.04 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2yuj n SER 6 Cb 0.40 2.39 0.00 0.00 -0.26 0.00 0.00 64.21 66.73 2yuj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuj n GLY 7 N -0.62 -0.41 3.03 5.00 0.00 -1.26 -5.16 105.19 105.77 2yuj n GLY 7 Ca -0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2yuj n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yuj s ILE 8 N -3.06 0.17 0.31 -0.61 -5.25 -1.26 -5.14 121.20 106.35 2yuj s ILE 8 Ca 0.00 -1.31 -0.29 0.00 -0.99 0.00 0.00 60.65 58.06 2yuj s ILE 8 Cb 0.00 -0.82 -0.10 0.00 2.95 0.00 0.00 42.46 44.49 2yuj s ILE 8 CO 0.00 -0.71 1.24 -2.16 -1.79 0.00 0.00 174.94 171.51 2yuj s PRO 9 N -2.53 4.45 -0.44 0.37 0.04 -1.26 -4.94 135.00 130.69 2yuj s PRO 9 Ca -0.06 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.09 2yuj s PRO 9 Cb -0.02 -3.12 0.63 0.00 0.04 0.00 0.00 34.50 32.03 2yuj s PRO 9 CO -0.05 -0.06 1.89 0.54 0.04 0.00 0.00 177.00 179.36 2yuj n ARG 10 N 1.01 2.22 -2.68 4.56 5.12 -1.26 -4.24 116.66 121.38 2yuj n ARG 10 Ca -0.00 -2.89 -0.02 0.00 -1.93 0.00 0.00 57.85 53.00 2yuj n ARG 10 Cb 0.43 -2.13 0.13 0.00 -1.16 0.00 0.00 32.46 29.72 2yuj n ARG 10 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2yuj n VAL 11 N -1.07 0.07 0.07 1.55 3.14 -1.26 -4.91 118.33 115.92 2yuj n VAL 11 Ca 0.58 -1.12 0.00 0.00 -2.96 0.00 0.00 64.34 60.83 2yuj n VAL 11 Cb 1.58 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 35.38 2yuj n VAL 11 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2yuj n PHE 12 N -1.47 -0.86 -1.30 1.45 3.72 -1.26 -4.84 117.46 112.90 2yuj n PHE 12 Ca -0.16 0.15 -0.21 0.00 -0.05 0.00 0.00 57.45 57.18 2yuj n PHE 12 Cb 0.87 0.23 0.17 0.00 -0.94 0.00 0.00 39.48 39.81 2yuj n PHE 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2yuj n GLN 13 N -3.39 2.22 -2.87 -1.08 6.02 -1.26 -4.98 117.38 112.04 2yuj n GLN 13 Ca 0.00 -3.09 -0.20 0.00 -0.01 0.00 0.00 57.00 53.70 2yuj n GLN 13 Cb 0.05 -2.12 0.02 0.00 1.02 0.00 0.00 30.24 29.22 2yuj n GLN 13 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2yuj s ASN 14 N -1.64 5.52 0.28 1.08 2.47 -1.26 -5.13 114.94 116.26 2yuj s ASN 14 Ca 0.55 -0.13 -0.04 0.00 0.42 0.00 0.00 52.86 53.66 2yuj s ASN 14 Cb 0.47 -0.91 -0.01 0.00 -1.45 0.00 0.00 41.25 39.35 2yuj s ASN 14 CO 0.07 -0.91 0.37 -0.13 -3.72 0.00 0.00 177.10 172.79 2yuj s ARG 15 N -4.55 1.62 -0.08 0.43 0.52 -1.26 -4.96 118.95 110.67 2yuj s ARG 15 Ca 0.54 -1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 53.85 2yuj s ARG 15 Cb -0.10 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 2yuj s ARG 15 CO 0.36 -0.64 1.59 0.12 0.02 0.00 0.00 175.30 176.75 2yuj s PHE 16 N -3.63 2.12 -0.30 -0.53 2.19 -1.26 -4.95 117.98 111.62 2yuj s PHE 16 Ca 0.31 0.34 0.06 0.00 0.33 0.00 0.00 56.93 57.97 2yuj s PHE 16 Cb 0.02 -3.85 0.20 0.00 -1.31 0.00 0.00 43.02 38.07 2yuj s PHE 16 CO 0.16 -3.46 0.59 -1.54 1.83 0.00 0.00 175.22 172.79 2yuj s SER 17 N 3.19 -1.56 0.17 6.13 1.04 -1.26 -2.52 113.70 118.89 2yuj s SER 17 Ca 0.70 0.12 -0.23 0.00 0.48 0.00 0.00 55.95 57.02 2yuj s SER 17 Cb -0.31 2.00 0.06 0.00 0.10 0.00 0.00 66.02 67.88 2yuj s SER 17 CO 0.27 -0.30 0.66 0.28 0.98 0.00 0.00 173.24 175.13 2yuj s THR 18 N 2.77 0.00 -0.15 2.02 -1.32 -1.17 -4.98 115.64 112.81 2yuj s THR 18 Ca 0.10 -0.23 -0.14 0.00 -1.21 0.00 0.00 61.69 60.21 2yuj s THR 18 Cb -0.10 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.61 2yuj s THR 18 CO -0.25 0.00 0.30 -1.10 -2.21 0.00 0.00 174.62 171.36 2yuj s GLN 19 N -3.73 4.23 0.02 7.08 -0.21 -1.26 -1.10 119.66 124.69 2yuj s GLN 19 Ca 0.04 0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.59 2yuj s GLN 19 Cb -0.02 -3.41 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2yuj s GLN 19 CO -0.08 0.26 -0.19 0.71 -2.12 0.00 0.00 175.29 173.87 2yuj s TYR 20 N 0.40 1.64 0.32 0.91 2.02 -0.97 -4.83 117.35 116.83 2yuj s TYR 20 Ca 0.17 -0.34 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 2yuj s TYR 20 Cb -0.13 -1.00 -0.09 0.00 -0.40 0.00 0.00 41.96 40.33 2yuj s TYR 20 CO 0.04 0.04 0.99 1.03 -1.57 0.00 0.00 175.55 176.08 2yuj s ARG 21 N -0.90 4.56 -0.18 -0.62 3.00 -1.26 -0.70 118.95 122.85 2yuj s ARG 21 Ca 0.06 1.48 -0.07 0.00 0.00 0.00 0.00 55.73 57.20 2yuj s ARG 21 Cb -0.08 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 31.93 2yuj s ARG 21 CO 0.01 0.23 0.05 0.00 0.00 0.00 0.00 175.30 175.59 2yuj s PHE 23 N 0.33 0.39 0.99 0.00 0.08 -0.76 -0.43 117.98 118.58 2yuj s PHE 23 Ca 0.02 -0.77 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 2yuj s PHE 23 Cb -0.13 -0.29 0.19 0.00 -0.57 0.00 0.00 43.02 42.22 2yuj s PHE 23 CO 0.00 -0.27 1.12 -1.12 -0.10 0.00 0.00 175.22 174.85 2yuj s SER 24 N -2.13 2.33 -0.19 1.36 0.01 -1.26 -3.01 113.70 110.81 2yuj s SER 24 Ca -0.05 2.03 0.11 0.00 1.31 0.00 0.00 55.95 59.35 2yuj s SER 24 Cb -0.02 -2.51 0.64 0.00 0.21 0.00 0.00 66.02 64.35 2yuj s SER 24 CO -0.05 -3.45 1.48 1.33 0.41 0.00 0.00 173.24 172.96 2yuj n VAL 25 N -4.45 2.17 0.00 3.43 0.24 -1.26 -4.14 118.33 114.33 2yuj n VAL 25 Ca 0.10 -1.10 -0.10 0.00 -2.04 0.00 0.00 64.34 61.19 2yuj n VAL 25 Cb 0.53 -0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 32.43 2yuj n VAL 25 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2yuj h SER 26 N 3.11 0.07 -0.37 -1.34 0.02 -1.95 -3.37 113.55 109.72 2yuj h SER 26 Ca 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2yuj h SER 26 Cb 1.67 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 2yuj h SER 26 CO 0.39 1.12 0.21 0.24 -1.14 0.00 0.00 176.83 177.65 2yuj h MET 27 N 0.01 0.52 -3.11 3.45 2.07 -1.98 -3.19 114.93 112.70 2yuj h MET 27 Ca -0.25 -0.06 -0.73 0.00 -2.07 0.00 0.00 59.70 56.60 2yuj h MET 27 Cb 1.98 -0.10 -0.09 0.00 -1.87 0.00 0.00 31.60 31.52 2yuj h MET 27 CO 0.10 0.41 2.73 -0.11 1.07 0.00 0.00 176.91 181.11 2yuj n LEU 28 N -4.76 7.70 -3.65 1.22 7.94 -1.26 -4.82 117.00 119.36 2yuj n LEU 28 Ca -0.00 -4.62 -0.05 0.00 -1.11 0.00 0.00 56.01 50.23 2yuj n LEU 28 Cb 0.07 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.48 2yuj n LEU 28 CO 0.35 1.76 0.21 0.00 -1.11 0.00 0.00 177.39 178.61 2yuj s ALA 29 N 0.54 -1.73 1.00 1.96 0.00 -1.21 -5.05 121.76 117.27 2yuj s ALA 29 Ca 0.53 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.60 2yuj s ALA 29 Cb 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2yuj s ALA 29 CO -0.06 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2yuj n GLY 30 N 5.06 -0.71 0.42 0.00 0.00 -1.26 -4.84 105.19 103.87 2yuj n GLY 30 Ca -0.14 -1.46 0.24 0.00 0.00 0.00 0.00 46.02 44.66 2yuj n GLY 30 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2yuj h PRO 31 N 0.00 0.00 -6.29 1.61 0.11 -2.02 -3.41 132.00 122.00 2yuj h PRO 31 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.65 2yuj h PRO 31 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2yuj h PRO 31 CO 0.00 0.00 -0.36 -0.80 -0.21 0.00 0.00 178.00 176.63 2yuj s ASN 32 N -5.49 5.60 0.36 -2.05 0.01 -1.26 -5.14 114.94 106.97 2yuj s ASN 32 Ca -0.05 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 2yuj s ASN 32 Cb 0.18 -0.96 -0.06 0.00 0.41 0.00 0.00 41.25 40.82 2yuj s ASN 32 CO 0.65 -0.51 0.05 -1.81 -1.51 0.00 0.00 177.10 173.98 2yuj s ASP 33 N -4.16 2.80 0.02 -1.22 1.01 -1.26 -4.87 116.67 108.99 2yuj s ASP 33 Ca 0.46 -1.42 0.00 0.00 0.71 0.00 0.00 52.55 52.31 2yuj s ASP 33 Cb -0.08 -0.06 -0.01 0.00 1.01 0.00 0.00 42.92 43.78 2yuj s ASP 33 CO 0.30 -0.62 -0.03 -0.60 0.21 0.00 0.00 175.17 174.43 2yuj s ARG 34 N -3.84 0.25 -0.06 8.23 3.52 -1.26 -5.04 118.95 120.76 2yuj s ARG 34 Ca 0.33 -0.42 0.10 0.00 -0.13 0.00 0.00 55.73 55.61 2yuj s ARG 34 Cb 0.08 -0.01 -0.14 0.00 -1.56 0.00 0.00 34.95 33.32 2yuj s ARG 34 CO 0.15 -0.01 0.13 -1.13 -0.81 0.00 0.00 175.30 173.63 2yuj n SER 35 N 2.10 2.58 -0.02 -2.12 3.41 -1.26 -4.53 113.62 113.79 2yuj n SER 35 Ca -0.20 0.00 0.22 0.00 -0.26 0.00 0.00 58.87 58.63 2yuj n SER 35 Cb 0.57 1.10 0.70 0.00 -0.26 0.00 0.00 64.21 66.32 2yuj n SER 35 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2yuj h ASP 36 N 0.00 0.00 0.32 4.04 3.58 -1.96 0.43 116.42 122.82 2yuj h ASP 36 Ca -0.14 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2yuj h ASP 36 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2yuj h ASP 36 CO 0.01 0.00 -0.15 0.58 -2.88 0.00 0.00 179.24 176.80 2yuj h VAL 37 N 0.00 0.71 -0.14 2.25 2.07 -1.94 -3.27 116.25 115.92 2yuj h VAL 37 Ca 0.27 -0.44 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 2yuj h VAL 37 Cb 1.12 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2yuj h VAL 37 CO -0.00 0.09 -0.71 -0.33 0.02 0.00 0.00 177.57 176.64 2yuj h GLU 38 N -0.67 0.72 -5.28 1.57 3.07 -1.63 -3.40 114.58 108.97 2yuj h GLU 38 Ca -0.04 -0.59 -0.23 0.00 -0.50 0.00 0.00 59.36 58.00 2yuj h GLU 38 Cb 0.47 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2yuj h GLU 38 CO 0.07 1.21 0.73 1.63 -1.40 0.00 0.00 179.01 181.25 2yuj n LYS 39 N -4.02 1.02 0.00 2.33 5.02 0.14 -4.67 118.16 117.98 2yuj n LYS 39 Ca -0.08 -2.15 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 2yuj n LYS 39 Cb 0.71 -3.77 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 2yuj n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yuj n GLY 40 N 5.86 0.82 3.13 0.72 0.00 -1.26 -4.81 105.19 109.64 2yuj n GLY 40 Ca 0.44 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.33 4.13 2.83 -0.02 0.00 -1.13 -4.89 105.19 105.79 2yuj n GLY 41 Ca 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.39 -0.00 0.38 1.61 1.02 -1.26 -4.22 119.74 115.87 2yuj s LYS 42 Ca 0.28 0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.47 2yuj s LYS 42 Cb -0.07 -0.13 -0.07 0.00 -0.52 0.00 0.00 37.83 37.03 2yuj s LYS 42 CO -0.12 -0.10 0.03 0.96 -0.92 0.00 0.00 175.35 175.19 2yuj s ILE 43 N 0.63 1.74 -0.38 2.17 -4.36 -1.10 -4.61 121.20 115.29 2yuj s ILE 43 Ca -0.05 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.36 2yuj s ILE 43 Cb -0.07 -2.93 0.11 0.00 1.25 0.00 0.00 42.46 40.82 2yuj s ILE 43 CO -0.02 0.00 0.12 -0.63 0.24 0.00 0.00 174.94 174.65 2yuj s ILE 44 N -2.89 1.84 0.40 8.37 1.01 -1.03 -2.44 121.20 126.46 2yuj s ILE 44 Ca 0.35 -2.30 -0.04 0.00 0.00 0.00 0.00 60.65 58.67 2yuj s ILE 44 Cb 0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2yuj s ILE 44 CO 0.17 -0.70 0.67 -0.04 0.00 0.00 0.00 174.94 175.04 2yuj s MET 45 N 0.81 3.56 0.59 2.79 -1.94 -0.98 -2.82 119.30 121.31 2yuj s MET 45 Ca 0.13 0.02 -0.19 0.00 -1.71 0.00 0.00 55.69 53.94 2yuj s MET 45 Cb -0.21 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.06 2yuj s MET 45 CO -0.10 -0.00 0.87 -2.30 -0.01 0.00 0.00 175.02 173.48 2yuj n PRO 46 N -1.78 0.83 -0.06 2.03 -0.02 -1.26 -3.25 135.00 131.48 2yuj n PRO 46 Ca -0.01 0.32 0.23 0.00 -2.02 0.00 0.00 63.50 62.01 2yuj n PRO 46 Cb 0.55 -2.06 0.70 0.00 -0.02 0.00 0.00 33.50 32.67 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 0.48 0.01 -0.01 0.52 0.11 -1.74 0.10 132.00 131.47 2yuj h PRO 47 Ca -0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2yuj h PRO 47 Cb 1.37 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 2yuj h PRO 47 CO 0.50 0.01 -0.24 0.66 -0.21 0.00 0.00 178.00 178.72 2yuj h SER 48 N 0.01 0.02 -0.16 -2.05 4.64 -1.90 -2.38 113.55 111.73 2yuj h SER 48 Ca 0.31 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.67 2yuj h SER 48 Cb 1.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2yuj h SER 48 CO -0.01 0.26 0.12 0.00 -0.87 0.00 0.00 176.83 176.33 2yuj h ALA 49 N 1.74 2.14 0.03 5.18 0.00 -1.11 -0.80 119.26 126.44 2yuj h ALA 49 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2yuj h ALA 49 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2yuj h ALA 49 CO 0.03 -0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.33 2yuj h LEU 50 N 0.01 -0.03 -1.46 0.00 5.85 -1.54 0.54 115.31 118.67 2yuj h LEU 50 Ca 0.08 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 2yuj h LEU 50 Cb 0.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2yuj h LEU 50 CO -0.00 0.49 -0.05 0.44 -0.34 0.00 0.00 178.44 178.98 2yuj h ASP 51 N -0.57 0.26 0.03 1.25 3.32 -1.50 -2.10 116.42 117.11 2yuj h ASP 51 Ca -0.00 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 2yuj h ASP 51 Cb 0.53 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.03 2yuj h ASP 51 CO 0.01 0.36 -0.67 -0.61 -1.72 0.00 0.00 179.24 176.60 2yuj h GLN 52 N 0.28 0.40 -0.75 3.56 4.15 -1.15 -1.20 115.11 120.39 2yuj h GLN 52 Ca 0.06 -0.47 0.04 0.00 0.77 0.00 0.00 58.65 59.05 2yuj h GLN 52 Cb 0.28 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 2yuj h GLN 52 CO 0.01 1.14 0.49 -0.07 -1.93 0.00 0.00 178.83 178.48 2yuj h LEU 53 N -0.14 0.78 0.00 -2.39 3.38 -0.67 -0.09 115.31 116.18 2yuj h LEU 53 Ca -0.09 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 2yuj h LEU 53 Cb 1.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2yuj h LEU 53 CO 0.13 0.53 -1.10 -1.28 0.09 0.00 0.00 178.44 176.82 2yuj h SER 54 N 0.90 0.00 1.48 -0.43 0.87 -1.44 -2.85 113.55 112.07 2yuj h SER 54 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2yuj h SER 54 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2yuj h SER 54 CO -0.09 0.88 0.00 0.03 -0.53 0.00 0.00 176.83 177.12 2yuj h ARG 55 N 0.00 0.00 -0.62 2.24 2.47 -0.39 -2.93 114.38 115.15 2yuj h ARG 55 Ca -0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2yuj h ARG 55 Cb 1.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 2yuj h ARG 55 CO 0.10 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.91 2yuj n LEU 56 N -3.09 3.37 -2.79 3.04 4.77 -0.12 -4.90 117.00 117.28 2yuj n LEU 56 Ca 0.02 -1.70 -0.20 0.00 -0.03 0.00 0.00 56.01 54.11 2yuj n LEU 56 Cb 0.41 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2yuj n LEU 56 CO 0.30 0.56 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.61 2yuj n ASN 57 N 0.62 -5.07 -4.85 -1.43 5.15 -1.11 -4.91 115.26 103.66 2yuj n ASN 57 Ca 0.17 -0.12 -0.35 0.00 -0.60 0.00 0.00 54.58 53.67 2yuj n ASN 57 Cb 0.65 -4.18 -0.06 0.00 -0.53 0.00 0.00 39.78 35.66 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2yuj s ILE 58 N -2.96 5.01 0.46 -1.44 1.01 -1.08 -5.08 121.20 117.13 2yuj s ILE 58 Ca 0.17 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2yuj s ILE 58 Cb -0.08 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 2yuj s ILE 58 CO 0.21 0.33 0.10 0.42 0.00 0.00 0.00 174.94 176.00 2yuj s THR 59 N -1.36 0.66 0.26 2.92 -4.23 -1.26 -4.66 115.64 107.96 2yuj s THR 59 Ca 0.33 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2yuj s THR 59 Cb -0.15 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 2yuj s THR 59 CO 0.18 0.00 1.17 -0.47 -0.54 0.00 0.00 174.62 174.95 2yuj s TYR 60 N -3.09 3.44 0.59 3.99 5.04 -1.26 -3.75 117.35 122.32 2yuj s TYR 60 Ca 0.15 1.56 -0.14 0.00 -2.44 0.00 0.00 57.07 56.20 2yuj s TYR 60 Cb 0.01 -3.40 -0.04 0.00 0.35 0.00 0.00 41.96 38.88 2yuj s TYR 60 CO 0.11 -0.98 1.03 -1.25 -1.34 0.00 0.00 175.55 173.12 2yuj s PRO 61 N -1.12 3.49 -0.22 4.97 0.04 -1.26 -5.12 135.00 135.78 2yuj s PRO 61 Ca 0.48 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.62 2yuj s PRO 61 Cb -0.34 -2.06 0.43 0.00 0.04 0.00 0.00 34.50 32.57 2yuj s PRO 61 CO 0.42 -0.66 1.22 -1.33 0.04 0.00 0.00 177.00 176.68 2yuj n MET 62 N -2.23 1.86 -1.82 4.56 2.81 -1.25 -4.91 117.12 116.14 2yuj n MET 62 Ca 0.07 -3.42 -0.37 0.00 -1.81 0.00 0.00 57.70 52.17 2yuj n MET 62 Cb 0.54 -1.71 0.05 0.00 -0.71 0.00 0.00 33.22 31.39 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 -3.29 3.66 0.02 4.03 1.43 -1.26 -4.54 118.68 118.73 2yuj s LEU 63 Ca 0.40 2.60 0.03 0.00 -1.03 0.00 0.00 54.13 56.12 2yuj s LEU 63 Cb 0.38 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.02 2yuj s LEU 63 CO -0.06 -1.81 -0.03 -0.36 0.23 0.00 0.00 176.35 174.32 2yuj s PHE 64 N -1.42 2.97 -1.02 0.29 0.08 -0.57 -3.48 117.98 114.83 2yuj s PHE 64 Ca 0.79 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 57.69 2yuj s PHE 64 Cb -0.36 -1.61 0.17 0.00 -0.57 0.00 0.00 43.02 40.65 2yuj s PHE 64 CO 0.40 0.43 1.16 0.21 -0.10 0.00 0.00 175.22 177.31 2yuj s LYS 65 N -1.64 3.82 -0.91 0.44 2.20 0.27 -3.03 119.74 120.89 2yuj s LYS 65 Ca 0.19 -2.28 -0.24 0.00 -0.36 0.00 0.00 55.97 53.28 2yuj s LYS 65 Cb -0.11 -4.84 -0.04 0.00 -1.51 0.00 0.00 37.83 31.32 2yuj s LYS 65 CO 0.10 -1.64 1.90 -0.51 -0.36 0.00 0.00 175.35 174.85 2yuj s LEU 66 N 1.51 3.20 -0.39 5.43 1.43 0.09 -3.86 118.68 126.09 2yuj s LEU 66 Ca 0.33 -0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2yuj s LEU 66 Cb -0.06 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.61 2yuj s LEU 66 CO -0.06 -2.62 0.33 -0.89 0.23 0.00 0.00 176.35 173.33 2yuj s THR 67 N 9.59 5.21 -0.39 5.49 2.01 -0.86 -2.18 115.64 134.51 2yuj s THR 67 Ca 0.68 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 62.00 2yuj s THR 67 Cb -0.06 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2yuj s THR 67 CO -0.01 -0.26 0.95 0.21 -0.69 0.00 0.00 174.62 174.82 2yuj s ASN 68 N 1.72 6.64 -0.80 3.53 2.47 -0.40 -2.95 114.94 125.16 2yuj s ASN 68 Ca 0.08 0.49 -0.05 0.00 0.42 0.00 0.00 52.86 53.79 2yuj s ASN 68 Cb -0.18 -2.47 0.03 0.00 -1.45 0.00 0.00 41.25 37.18 2yuj s ASN 68 CO 0.11 -0.93 2.76 0.29 -3.72 0.00 0.00 177.10 175.61 2yuj n LYS 69 N 6.94 3.24 0.00 0.43 5.02 -1.26 -3.18 118.16 129.35 2yuj n LYS 69 Ca 0.07 -2.56 0.00 0.00 -2.02 0.00 0.00 58.31 53.80 2yuj n LYS 69 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2yuj n LYS 69 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2yuj n ASN 70 N 1.60 0.00 -0.28 4.39 5.15 -1.26 -4.91 115.26 119.95 2yuj n ASN 70 Ca 0.55 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.61 2yuj n ASN 70 Cb 0.46 0.05 0.14 0.00 -0.53 0.00 0.00 39.78 39.90 2yuj n ASN 70 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2yuj n SER 71 N -2.25 1.93 -3.43 1.20 7.64 -1.25 -4.97 113.62 112.48 2yuj n SER 71 Ca 0.00 -3.12 -0.25 0.00 1.01 0.00 0.00 58.87 56.51 2yuj n SER 71 Cb 0.00 -0.42 0.02 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.16 -4.99 -4.86 6.43 -0.08 -1.20 -4.95 116.55 105.74 2yuj n ASP 72 Ca 0.15 -0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 52.61 2yuj n ASP 72 Cb 0.67 -4.03 -0.06 0.00 2.34 0.00 0.00 41.12 40.05 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 -6.12 3.87 0.00 -0.67 1.81 -1.19 -4.97 118.95 111.69 2yuj s ARG 73 Ca 0.46 0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.85 2yuj s ARG 73 Cb -0.23 -2.76 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2yuj s ARG 73 CO 0.57 0.38 -0.03 1.41 -0.68 0.00 0.00 175.30 176.95 2yuj s MET 74 N -2.47 0.25 -0.08 3.54 -2.45 -1.26 -1.27 119.30 115.55 2yuj s MET 74 Ca 0.44 -0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 54.36 2yuj s MET 74 Cb -0.13 -0.17 0.07 0.00 1.25 0.00 0.00 34.83 35.85 2yuj s MET 74 CO 0.20 0.04 0.68 0.99 1.05 0.00 0.00 175.02 177.99 2yuj s THR 75 N -0.33 0.00 -0.20 10.11 2.01 -0.93 -4.90 115.64 121.40 2yuj s THR 75 Ca -0.02 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2yuj s THR 75 Cb -0.03 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.53 2yuj s THR 75 CO -0.00 -0.00 -0.09 -1.00 -0.69 0.00 0.00 174.62 172.84 2yuj s HIS 76 N -0.98 2.37 0.21 4.92 3.76 -1.26 -0.73 115.29 123.57 2yuj s HIS 76 Ca -0.10 -1.59 0.09 0.00 -0.15 0.00 0.00 55.06 53.32 2yuj s HIS 76 Cb -0.01 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 32.03 2yuj s HIS 76 CO 0.09 -0.74 -0.10 0.00 -0.85 0.00 0.00 174.74 173.14 2yuj s GLY 78 N -3.03 1.57 0.32 0.00 0.00 -1.26 -1.51 107.32 103.42 2yuj s GLY 78 Ca 0.26 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 2yuj s GLY 78 CO 0.16 -0.23 1.26 0.54 0.00 0.00 0.00 173.10 174.82 2yuj s VAL 79 N 0.23 2.89 0.12 1.40 0.11 -1.26 -2.70 120.40 121.19 2yuj s VAL 79 Ca -0.08 0.89 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 2yuj s VAL 79 Cb -0.15 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2yuj s VAL 79 CO 0.05 0.21 0.00 -0.11 -3.33 0.00 0.00 175.10 171.92 2yuj n LEU 80 N 0.85 0.31 -4.67 2.54 7.94 -1.02 -4.86 117.00 118.09 2yuj n LEU 80 Ca -0.00 0.20 -0.32 0.00 -1.11 0.00 0.00 56.01 54.78 2yuj n LEU 80 Cb 0.43 0.02 -0.09 0.00 0.53 0.00 0.00 43.42 44.31 2yuj n LEU 80 CO 0.58 -0.58 -0.33 -1.61 -1.11 0.00 0.00 177.39 174.33 2yuj s GLU 81 N -2.00 2.69 -0.56 1.96 0.41 -1.11 -5.05 118.70 115.03 2yuj s GLU 81 Ca 0.00 -0.69 0.05 0.00 -0.41 0.00 0.00 54.97 53.92 2yuj s GLU 81 Cb 0.00 -2.61 0.35 0.00 -1.78 0.00 0.00 34.13 30.09 2yuj s GLU 81 CO 0.00 0.60 0.97 1.19 -0.49 0.00 0.00 175.26 177.52 2yuj n PHE 82 N 1.18 3.92 -1.89 1.61 3.01 -1.26 -2.31 117.46 121.73 2yuj n PHE 82 Ca -0.14 -3.89 0.03 0.00 1.01 0.00 0.00 57.45 54.46 2yuj n PHE 82 Cb 0.52 -0.44 0.14 0.00 -0.01 0.00 0.00 39.48 39.70 2yuj n PHE 82 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 2yuj n VAL 83 N -0.27 1.69 -2.23 -4.37 0.24 -1.23 -3.81 118.33 108.36 2yuj n VAL 83 Ca 0.32 -2.80 -0.27 0.00 -2.04 0.00 0.00 64.34 59.55 2yuj n VAL 83 Cb 0.43 0.02 0.17 0.00 -1.47 0.00 0.00 33.84 32.98 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 -2.53 2.84 0.41 2.33 0.00 -1.20 -4.95 121.76 118.65 2yuj s ALA 84 Ca 0.38 -1.52 0.07 0.00 0.00 0.00 0.00 51.96 50.89 2yuj s ALA 84 Cb 0.38 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2yuj s ALA 84 CO -0.08 -2.13 0.56 -0.51 0.00 0.00 0.00 175.76 173.60 2yuj s ASP 85 N -4.88 5.70 -0.44 0.00 1.01 -1.23 -4.26 116.67 112.58 2yuj s ASP 85 Ca 0.72 -0.36 -0.28 0.00 0.71 0.00 0.00 52.55 53.34 2yuj s ASP 85 Cb -0.03 -0.78 0.00 0.00 1.01 0.00 0.00 42.92 43.12 2yuj s ASP 85 CO 0.50 -0.71 1.55 -1.61 0.21 0.00 0.00 175.17 175.11 2yuj s GLU 86 N -4.33 3.36 0.00 8.23 2.02 -1.26 -2.71 118.70 124.01 2yuj s GLU 86 Ca 0.53 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.45 2yuj s GLU 86 Cb -0.10 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.01 2yuj s GLU 86 CO 0.33 -1.83 0.00 0.41 0.02 0.00 0.00 175.26 174.19 2yuj n GLY 87 N 5.27 0.69 2.78 -1.39 0.00 -1.26 -5.04 105.19 106.24 2yuj n GLY 87 Ca 0.18 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 -0.41 -0.05 -0.61 1.01 -1.10 -4.41 121.20 113.64 2yuj s ILE 88 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 2yuj s ILE 88 Cb 0.00 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 2yuj s ILE 88 CO 0.00 -0.49 0.51 0.00 0.00 0.00 0.00 174.94 174.95 2yuj s TYR 90 N -0.08 3.25 0.11 0.00 2.02 -1.13 -1.82 117.35 119.70 2yuj s TYR 90 Ca 0.27 0.28 0.09 0.00 -0.37 0.00 0.00 57.07 57.34 2yuj s TYR 90 Cb -0.17 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2yuj s TYR 90 CO 0.14 -0.17 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.21 2yuj s LEU 91 N 1.82 2.31 1.12 -1.29 1.43 -1.16 -2.46 118.68 120.45 2yuj s LEU 91 Ca 0.11 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 2yuj s LEU 91 Cb -0.16 -1.00 0.19 0.00 0.03 0.00 0.00 46.19 45.26 2yuj s LEU 91 CO 0.10 0.10 0.34 -2.65 0.23 0.00 0.00 176.35 174.47 2yuj n PRO 92 N 0.99 -2.53 -0.01 1.29 -0.02 -1.26 -4.19 135.00 129.26 2yuj n PRO 92 Ca -0.19 -0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 60.38 2yuj n PRO 92 Cb 0.53 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.25 2yuj n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2yuj h HIS 93 N -2.68 0.26 -0.04 6.00 2.76 -1.96 -3.17 115.15 116.32 2yuj h HIS 93 Ca -0.36 -0.19 0.01 0.00 -2.20 0.00 0.00 60.37 57.63 2yuj h HIS 93 Cb 1.03 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 2yuj h HIS 93 CO -2.19 1.14 0.03 0.11 -1.30 0.00 0.00 177.93 175.72 2yuj h TRP 94 N -0.69 0.00 -0.01 5.26 5.08 -1.92 -0.77 115.95 122.88 2yuj h TRP 94 Ca -0.07 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.75 2yuj h TRP 94 Cb 1.30 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.44 2yuj h TRP 94 CO 0.24 0.00 -0.68 1.98 -1.28 0.00 0.00 178.44 178.70 2yuj h MET 95 N 0.00 0.08 -0.18 0.12 4.05 -1.85 -1.99 114.93 115.16 2yuj h MET 95 Ca 0.02 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.25 2yuj h MET 95 Cb 0.09 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2yuj h MET 95 CO -0.00 0.73 -0.37 0.52 0.23 0.00 0.00 176.91 178.01 2yuj h MET 96 N 0.05 0.56 -0.43 0.39 2.86 -1.12 -2.45 114.93 114.79 2yuj h MET 96 Ca -0.01 -0.37 -0.14 0.00 -2.06 0.00 0.00 59.70 57.12 2yuj h MET 96 Cb 1.21 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 2yuj h MET 96 CO 0.09 0.98 -0.29 0.37 1.06 0.00 0.00 176.91 179.13 2yuj h GLN 97 N 0.22 0.96 0.85 1.72 5.75 -1.45 -1.08 115.11 122.07 2yuj h GLN 97 Ca 0.00 -0.45 -0.04 0.00 -0.15 0.00 0.00 58.65 58.01 2yuj h GLN 97 Cb 0.98 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.52 2yuj h GLN 97 CO 0.08 1.12 -0.41 -0.97 -2.65 0.00 0.00 178.83 176.00 2yuj h ASN 98 N 0.79 -0.97 0.28 -0.69 -1.24 -1.39 -2.65 115.58 109.72 2yuj h ASN 98 Ca 0.09 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2yuj h ASN 98 Cb 0.87 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 2yuj h ASN 98 CO 0.08 -0.68 -0.01 -0.07 -1.29 0.00 0.00 177.43 175.46 2yuj h LEU 99 N -1.16 0.00 1.07 0.34 3.38 -1.52 -3.46 115.31 113.97 2yuj h LEU 99 Ca -0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 2yuj h LEU 99 Cb 0.87 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.66 2yuj h LEU 99 CO 0.19 0.01 -0.50 0.18 0.09 0.00 0.00 178.44 178.41 2yuj n LEU 100 N -3.15 -2.39 -4.94 1.67 4.77 -0.43 -4.87 117.00 107.66 2yuj n LEU 100 Ca -0.02 -0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 2yuj n LEU 100 Cb 0.14 -2.59 0.19 0.00 -2.33 0.00 0.00 43.42 38.83 2yuj n LEU 100 CO 0.23 0.13 0.85 -0.76 -1.33 0.00 0.00 177.39 176.51 2yuj s LEU 101 N -5.59 2.77 0.44 2.23 1.43 -1.10 -5.04 118.68 113.83 2yuj s LEU 101 Ca 0.21 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2yuj s LEU 101 Cb -0.09 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2yuj s LEU 101 CO 0.26 -2.75 0.07 -1.61 0.23 0.00 0.00 176.35 172.55 2yuj s GLU 102 N -5.85 2.02 -0.45 1.70 8.01 -1.26 -4.93 118.70 117.94 2yuj s GLU 102 Ca 0.75 -2.25 -0.27 0.00 0.01 0.00 0.00 54.97 53.21 2yuj s GLU 102 Cb -0.03 -1.00 -0.05 0.00 -4.31 0.00 0.00 34.13 28.74 2yuj s GLU 102 CO 0.53 -0.41 2.14 -1.21 0.01 0.00 0.00 175.26 176.31 2yuj s GLU 103 N -3.78 2.60 0.00 1.61 2.02 -1.26 -1.89 118.70 117.99 2yuj s GLU 103 Ca 0.18 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.46 2yuj s GLU 103 Cb 0.03 -4.44 0.00 0.00 0.10 0.00 0.00 34.13 29.82 2yuj s GLU 103 CO 0.10 -2.73 0.00 0.41 0.02 0.00 0.00 175.26 173.07 2yuj n GLY 104 N 5.79 1.06 3.61 -1.39 0.00 0.42 -4.99 105.19 109.69 2yuj n GLY 104 Ca 0.29 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.53 1.75 0.16 -0.02 0.00 -0.79 -4.62 107.32 101.27 2yuj s GLY 105 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 2yuj s GLY 105 CO 0.00 1.61 1.55 1.08 0.00 0.00 0.00 173.10 177.34 2yuj s LEU 106 N 2.77 4.37 -0.03 0.66 1.43 -1.26 -2.11 118.68 124.51 2yuj s LEU 106 Ca 0.29 2.60 0.07 0.00 -1.03 0.00 0.00 54.13 56.06 2yuj s LEU 106 Cb -0.15 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2yuj s LEU 106 CO 0.11 -0.81 -0.24 -0.69 0.23 0.00 0.00 176.35 174.96 2yuj s VAL 107 N 1.09 1.90 -0.28 -1.59 1.01 0.12 -4.87 120.40 117.78 2yuj s VAL 107 Ca 0.69 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2yuj s VAL 107 Cb -0.43 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2yuj s VAL 107 CO 0.32 0.54 1.61 -1.58 0.00 0.00 0.00 175.10 175.98 2yuj s GLN 108 N -0.38 3.65 0.02 2.72 2.00 -1.15 -2.29 119.66 124.22 2yuj s GLN 108 Ca 0.04 1.46 -0.08 0.00 -2.00 0.00 0.00 55.36 54.78 2yuj s GLN 108 Cb -0.11 -4.07 -0.05 0.00 0.80 0.00 0.00 33.01 29.58 2yuj s GLN 108 CO 0.01 -1.47 0.31 0.08 -0.50 0.00 0.00 175.29 173.71 2yuj s VAL 109 N 5.63 5.24 -0.27 1.34 1.01 -0.26 -2.02 120.40 131.07 2yuj s VAL 109 Ca 0.71 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 2yuj s VAL 109 Cb -0.22 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.64 2yuj s VAL 109 CO 0.31 0.39 0.72 -1.61 0.00 0.00 0.00 175.10 174.90 2yuj s GLU 110 N -1.68 0.82 -0.37 2.72 2.02 -1.25 -3.03 118.70 117.94 2yuj s GLU 110 Ca 0.28 1.03 -0.20 0.00 0.02 0.00 0.00 54.97 56.09 2yuj s GLU 110 Cb -0.14 0.37 0.01 0.00 0.10 0.00 0.00 34.13 34.47 2yuj s GLU 110 CO 0.15 -0.11 0.63 -1.54 0.02 0.00 0.00 175.26 174.42 2yuj s SER 111 N 0.55 6.41 0.13 -0.19 1.04 -1.05 0.97 113.70 121.56 2yuj s SER 111 Ca -0.01 0.06 0.11 0.00 0.48 0.00 0.00 55.95 56.58 2yuj s SER 111 Cb -0.05 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 2yuj s SER 111 CO -0.02 -0.62 -0.26 0.68 0.98 0.00 0.00 173.24 174.00 2yuj s VAL 112 N 2.72 2.17 -0.71 5.02 -7.23 -1.23 -4.89 120.40 116.26 2yuj s VAL 112 Ca 0.24 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 2yuj s VAL 112 Cb -0.14 -1.93 0.18 0.00 0.56 0.00 0.00 36.38 35.04 2yuj s VAL 112 CO 0.16 0.06 0.53 0.20 -0.31 0.00 0.00 175.10 175.74 2yuj s ASN 113 N -2.05 5.38 0.72 4.85 -0.87 -1.26 -4.58 114.94 117.12 2yuj s ASN 113 Ca 0.13 -3.19 -0.09 0.00 -1.57 0.00 0.00 52.86 48.14 2yuj s ASN 113 Cb -0.10 -1.85 0.05 0.00 -0.02 0.00 0.00 41.25 39.33 2yuj s ASN 113 CO 0.06 -0.29 1.06 -0.76 -2.57 0.00 0.00 177.10 174.60 2yuj s LEU 114 N -0.55 2.81 0.50 0.60 1.43 -1.26 -5.06 118.68 117.15 2yuj s LEU 114 Ca 0.21 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.08 2yuj s LEU 114 Cb -0.16 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.69 2yuj s LEU 114 CO -0.07 -1.55 0.33 -1.10 0.23 0.00 0.00 176.35 174.19 2yuj s GLN 115 N -5.32 2.29 0.31 1.70 1.11 -1.26 -4.31 119.66 114.17 2yuj s GLN 115 Ca 0.59 -1.94 -0.29 0.00 0.01 0.00 0.00 55.36 53.73 2yuj s GLN 115 Cb -0.11 -2.08 -0.10 0.00 -1.01 0.00 0.00 33.01 29.71 2yuj s GLN 115 CO 0.47 -0.43 1.25 0.14 0.01 0.00 0.00 175.29 176.73 2yuj s VAL 116 N -2.70 2.96 0.49 1.09 -7.23 -1.24 0.71 120.40 114.48 2yuj s VAL 116 Ca 0.36 0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 61.29 2yuj s VAL 116 Cb -0.01 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 2yuj s VAL 116 CO 0.21 0.22 1.02 0.00 -0.31 0.00 0.00 175.10 176.24 2yuj s ALA 117 N -1.05 2.91 -0.10 1.32 0.00 -1.26 -4.66 121.76 118.91 2yuj s ALA 117 Ca 0.48 0.50 0.08 0.00 0.00 0.00 0.00 51.96 53.02 2yuj s ALA 117 Cb -0.37 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.42 2yuj s ALA 117 CO 0.49 -0.28 0.02 -2.37 0.00 0.00 0.00 175.76 173.62 2yuj n THR 118 N -1.09 0.66 -3.62 0.00 5.66 -0.82 -4.51 114.28 110.55 2yuj n THR 118 Ca 0.08 -0.39 -0.27 0.00 -3.05 0.00 0.00 64.05 60.42 2yuj n THR 118 Cb 0.53 -0.76 -0.16 0.00 -1.55 0.00 0.00 70.33 68.38 2yuj n THR 118 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2yuj s TYR 119 N -2.23 0.41 -0.06 1.09 5.04 -1.25 -1.37 117.35 118.97 2yuj s TYR 119 Ca -0.06 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 2yuj s TYR 119 Cb 0.03 -0.83 -0.02 0.00 0.35 0.00 0.00 41.96 41.49 2yuj s TYR 119 CO 0.38 -0.60 -0.14 -1.12 -1.34 0.00 0.00 175.55 172.73 2yuj s SER 120 N 2.06 4.00 0.07 4.32 0.01 0.88 -0.46 113.70 124.58 2yuj s SER 120 Ca 0.03 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.12 2yuj s SER 120 Cb -0.16 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2yuj s SER 120 CO -0.15 0.31 -0.16 -0.75 0.41 0.00 0.00 173.24 172.90 2yuj s LYS 121 N -0.51 0.94 0.06 12.44 2.20 0.24 -0.94 119.74 134.18 2yuj s LYS 121 Ca 0.07 -0.95 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 2yuj s LYS 121 Cb -0.12 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.17 2yuj s LYS 121 CO 0.02 0.24 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.08 2yuj s PHE 122 N -1.12 0.91 -0.41 4.03 0.40 -1.23 -2.22 117.98 118.35 2yuj s PHE 122 Ca 0.01 -0.51 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 2yuj s PHE 122 Cb -0.09 -0.52 0.13 0.00 0.51 0.00 0.00 43.02 43.04 2yuj s PHE 122 CO 0.02 -0.03 0.21 -1.14 0.70 0.00 0.00 175.22 174.99 2yuj s GLN 123 N -1.83 1.09 -0.04 0.44 0.74 -0.12 -2.12 119.66 117.83 2yuj s GLN 123 Ca -0.05 -1.77 -0.36 0.00 0.05 0.00 0.00 55.36 53.23 2yuj s GLN 123 Cb -0.09 -2.13 -0.15 0.00 1.10 0.00 0.00 33.01 31.74 2yuj s GLN 123 CO 0.01 -1.14 1.63 -2.30 -0.55 0.00 0.00 175.29 172.93 2yuj n PRO 124 N 3.81 1.61 -0.08 1.67 -0.02 -1.26 -3.55 135.00 137.18 2yuj n PRO 124 Ca 0.08 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2yuj n PRO 124 Cb 0.36 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 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 6.67 0.88 -6.13 -0.52 7.50 -1.84 -3.44 115.11 118.22 2yuj h GLN 125 Ca -0.47 -0.55 -0.65 0.00 0.50 0.00 0.00 58.65 57.49 2yuj h GLN 125 Cb 1.30 0.06 -0.10 0.00 0.05 0.00 0.00 27.48 28.79 2yuj h GLN 125 CO 0.89 1.18 -0.60 -1.12 -1.50 0.00 0.00 178.83 177.68 2yuj s SER 126 N -6.94 5.50 0.07 1.46 0.01 -1.26 -5.00 113.70 107.54 2yuj s SER 126 Ca -0.11 0.03 0.18 0.00 1.31 0.00 0.00 55.95 57.36 2yuj s SER 126 Cb 0.10 -1.50 0.75 0.00 0.21 0.00 0.00 66.02 65.58 2yuj s SER 126 CO 0.89 0.22 1.56 -0.81 0.41 0.00 0.00 173.24 175.50 2yuj n PRO 127 N 0.79 0.05 -0.36 12.44 -0.04 -1.26 -3.24 135.00 143.38 2yuj n PRO 127 Ca -0.11 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 2yuj n PRO 127 Cb 0.52 -1.60 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.98 -0.08 3.54 3.32 -1.97 0.36 116.42 122.56 2yuj h ASP 128 Ca 0.00 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 2yuj h ASP 128 Cb 0.30 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2yuj h ASP 128 CO 0.00 0.59 -0.65 0.15 -1.72 0.00 0.00 179.24 177.61 2yuj h PHE 129 N 1.09 0.92 -0.47 4.55 3.57 -1.93 -3.16 116.94 121.51 2yuj h PHE 129 Ca 0.45 -0.36 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2yuj h PHE 129 Cb 0.29 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2yuj h PHE 129 CO -0.00 1.16 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.16 2yuj h LEU 130 N 0.51 0.75 -2.31 0.59 3.38 -1.49 -2.30 115.31 114.44 2yuj h LEU 130 Ca -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2yuj h LEU 130 Cb 1.25 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 2yuj h LEU 130 CO 0.13 0.83 -0.03 0.44 0.09 0.00 0.00 178.44 179.89 2yuj h ASP 131 N 0.73 0.00 -3.25 -0.43 5.19 -0.93 -3.43 116.42 114.30 2yuj h ASP 131 Ca 0.14 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 56.02 2yuj h ASP 131 Cb 0.46 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.06 2yuj h ASP 131 CO 0.02 0.03 0.91 -0.38 -3.12 0.00 0.00 179.24 176.71 2yuj n ILE 132 N -3.81 0.91 0.08 0.35 5.41 -0.87 -4.88 119.36 116.55 2yuj n ILE 132 Ca -0.03 -0.23 0.06 0.00 1.00 0.00 0.00 62.75 63.55 2yuj n ILE 132 Cb 0.12 -2.00 0.50 0.00 -0.71 0.00 0.00 39.64 37.56 2yuj n ILE 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuj h THR 133 N 3.42 1.05 -2.49 1.39 1.03 -1.88 -3.32 112.91 112.12 2yuj h THR 133 Ca -0.47 -0.12 -0.59 0.00 -0.01 0.00 0.00 66.41 65.22 2yuj h THR 133 Cb 1.22 0.66 -0.39 0.00 -1.07 0.00 0.00 68.15 68.57 2yuj h THR 133 CO 0.81 0.07 -0.91 0.20 -0.01 0.00 0.00 175.52 175.68 2yuj s ASN 134 N -6.77 2.03 0.29 0.00 0.02 -1.26 -4.96 114.94 104.28 2yuj s ASN 134 Ca -0.07 -3.10 0.11 0.00 -1.02 0.00 0.00 52.86 48.78 2yuj s ASN 134 Cb 0.17 -0.61 0.43 0.00 0.02 0.00 0.00 41.25 41.27 2yuj s ASN 134 CO 0.71 -0.17 1.66 1.55 0.02 0.00 0.00 177.10 180.87 2yuj h PRO 135 N 5.73 0.00 -0.61 -0.60 0.13 -1.80 -3.10 132.00 131.74 2yuj h PRO 135 Ca 0.23 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.31 2yuj h PRO 135 Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2yuj h PRO 135 CO 0.41 0.57 0.19 -0.22 -0.23 0.00 0.00 178.00 178.72 2yuj h LYS 136 N 0.00 0.93 0.57 0.86 3.64 -1.94 0.07 116.57 120.71 2yuj h LYS 136 Ca -0.01 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2yuj h LYS 136 Cb 1.00 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2yuj h LYS 136 CO 0.07 0.80 -0.28 0.00 -2.27 0.00 0.00 179.45 177.78 2yuj h ALA 137 N 1.30 -0.77 -0.33 5.00 0.00 -1.97 0.28 119.26 122.78 2yuj h ALA 137 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2yuj h ALA 137 Cb 0.26 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2yuj h ALA 137 CO -0.01 -0.87 0.07 0.28 0.00 0.00 0.00 179.25 178.72 2yuj h VAL 138 N -0.90 1.16 0.05 0.00 2.07 -1.57 0.30 116.25 117.35 2yuj h VAL 138 Ca -0.08 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2yuj h VAL 138 Cb 0.64 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2yuj h VAL 138 CO 0.13 0.21 -0.02 0.25 0.02 0.00 0.00 177.57 178.16 2yuj h LEU 139 N 0.47 -0.05 -0.62 2.57 5.85 -0.84 -2.66 115.31 120.03 2yuj h LEU 139 Ca 0.11 -0.46 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 2yuj h LEU 139 Cb 0.21 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2yuj h LEU 139 CO -0.00 0.45 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.08 2yuj h GLU 140 N -0.57 0.95 -0.09 1.25 5.08 -0.29 -2.73 114.58 118.19 2yuj h GLU 140 Ca -0.01 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2yuj h GLU 140 Cb 0.51 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2yuj h GLU 140 CO 0.01 1.02 0.05 -0.91 -1.00 0.00 0.00 179.01 178.18 2yuj h ASN 141 N 0.84 0.11 0.66 1.42 -0.26 -0.46 -1.42 115.58 116.47 2yuj h ASN 141 Ca 0.13 -0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.69 2yuj h ASN 141 Cb 0.69 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 2yuj h ASN 141 CO 0.05 0.08 -0.78 0.00 -1.06 0.00 0.00 177.43 175.73 2yuj h ALA 142 N 1.94 0.69 -0.15 -0.83 0.00 -1.17 -3.12 119.26 116.62 2yuj h ALA 142 Ca 0.03 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.30 2yuj h ALA 142 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2yuj h ALA 142 CO -0.01 0.91 0.14 -0.07 0.00 0.00 0.00 179.25 180.22 2yuj h LEU 143 N 0.05 0.00 -2.00 0.00 3.38 -1.07 -0.97 115.31 114.71 2yuj h LEU 143 Ca -0.02 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.05 2yuj h LEU 143 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2yuj h LEU 143 CO 0.11 0.00 0.25 0.03 0.09 0.00 0.00 178.44 178.92 2yuj h ARG 144 N 0.00 0.01 0.15 1.13 2.47 -1.56 -1.19 114.38 115.39 2yuj h ARG 144 Ca 0.07 -0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.49 2yuj h ARG 144 Cb 0.34 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2yuj h ARG 144 CO -0.00 0.00 -1.40 -0.91 0.56 0.00 0.00 179.97 178.23 2yuj h ASN 145 N 0.01 0.50 -3.98 7.04 2.35 -1.38 -3.46 115.58 116.65 2yuj h ASN 145 Ca 0.16 -0.58 -0.47 0.00 -0.55 0.00 0.00 56.30 54.87 2yuj h ASN 145 Cb 0.65 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2yuj h ASN 145 CO -0.00 1.46 0.37 -0.36 -1.65 0.00 0.00 177.43 177.25 2yuj s PHE 146 N -2.63 3.35 -0.11 1.19 0.08 -0.45 -2.83 117.98 116.59 2yuj s PHE 146 Ca -0.07 1.66 0.11 0.00 0.12 0.00 0.00 56.93 58.76 2yuj s PHE 146 Cb 0.06 -2.99 -0.16 0.00 -0.57 0.00 0.00 43.02 39.36 2yuj s PHE 146 CO 0.88 -0.30 0.08 0.00 -0.10 0.00 0.00 175.22 175.78 2yuj n ALA 147 N -0.17 1.80 -2.32 5.36 0.00 -1.26 -4.92 120.51 119.00 2yuj n ALA 147 Ca 0.05 -0.74 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 2yuj n ALA 147 Cb 0.51 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 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 -3.19 0.44 -0.05 0.00 1.43 -1.14 -4.95 118.68 111.22 2yuj s LEU 149 Ca 0.19 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2yuj s LEU 149 Cb 0.00 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 2yuj s LEU 149 CO 0.04 -0.23 -0.10 -0.89 0.23 0.00 0.00 176.35 175.40 2yuj s THR 150 N 2.05 3.42 0.05 5.49 2.01 -1.25 -2.93 115.64 124.49 2yuj s THR 150 Ca 0.04 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.10 2yuj s THR 150 Cb -0.13 -2.39 -0.07 0.00 0.01 0.00 0.00 72.50 69.92 2yuj s THR 150 CO -0.05 0.56 1.56 -0.89 -0.69 0.00 0.00 174.62 175.11 2yuj s THR 151 N -0.81 3.23 0.00 -0.82 2.01 -1.06 -3.12 115.64 115.07 2yuj s THR 151 Ca 0.13 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2yuj s THR 151 Cb -0.11 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2yuj s THR 151 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2yuj n GLY 152 N 3.86 0.72 3.33 4.40 0.00 -0.38 -4.98 105.19 112.14 2yuj n GLY 152 Ca 0.15 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.98 4.47 -1.25 1.61 1.11 -1.18 -4.88 116.67 113.56 2yuj s ASP 153 Ca 0.00 -0.41 -0.19 0.00 0.18 0.00 0.00 52.55 52.13 2yuj s ASP 153 Cb 0.00 -1.77 0.05 0.00 1.07 0.00 0.00 42.92 42.27 2yuj s ASP 153 CO 0.00 -0.04 1.73 -0.69 1.18 0.00 0.00 175.17 177.36 2yuj s VAL 154 N 1.49 4.03 0.93 -1.27 1.01 -1.26 -2.97 120.40 122.36 2yuj s VAL 154 Ca 0.05 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.23 2yuj s VAL 154 Cb -0.15 -5.10 0.19 0.00 0.00 0.00 0.00 36.38 31.33 2yuj s VAL 154 CO -0.02 -1.89 1.28 0.27 0.00 0.00 0.00 175.10 174.74 2yuj s ILE 155 N 5.15 2.02 -0.18 2.22 -4.36 -0.45 -4.65 121.20 120.93 2yuj s ILE 155 Ca 0.55 -0.10 -0.11 0.00 -0.26 0.00 0.00 60.65 60.74 2yuj s ILE 155 Cb 0.03 -2.92 0.06 0.00 1.25 0.00 0.00 42.46 40.88 2yuj s ILE 155 CO 0.07 0.00 0.45 0.00 0.24 0.00 0.00 174.94 175.69 2yuj s ALA 156 N -3.79 -1.15 -0.04 2.27 0.00 -1.26 -3.28 121.76 114.50 2yuj s ALA 156 Ca 0.73 1.60 0.06 0.00 0.00 0.00 0.00 51.96 54.36 2yuj s ALA 156 Cb -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2yuj s ALA 156 CO 0.52 -0.27 -0.23 0.96 0.00 0.00 0.00 175.76 176.74 2yuj s ILE 157 N 1.28 2.30 0.02 0.00 -4.36 -1.08 -4.76 121.20 114.59 2yuj s ILE 157 Ca -0.08 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 2yuj s ILE 157 Cb -0.07 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 2yuj s ILE 157 CO -0.12 0.58 -0.06 0.21 0.24 0.00 0.00 174.94 175.79 2yuj s ASN 158 N -0.45 0.63 0.00 4.36 3.84 -1.26 -1.50 114.94 120.56 2yuj s ASN 158 Ca 0.05 -0.35 0.00 0.00 0.21 0.00 0.00 52.86 52.77 2yuj s ASN 158 Cb -0.12 0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.59 2yuj s ASN 158 CO 0.01 -0.11 0.00 0.00 -2.79 0.00 0.00 177.10 174.21 2yuj n TYR 159 N 2.09 -0.33 -1.20 0.43 4.11 -1.26 -4.96 117.16 116.03 2yuj n TYR 159 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.41 2yuj n TYR 159 Cb 0.56 0.07 0.08 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 -1.39 6.89 -2.51 9.48 5.15 -1.26 -4.82 115.26 126.80 2yuj n ASN 160 Ca 0.00 -3.60 -0.21 0.00 -0.60 0.00 0.00 54.58 50.16 2yuj n ASN 160 Cb 0.00 -0.97 0.00 0.00 -0.53 0.00 0.00 39.78 38.28 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 -0.70 -2.37 -3.65 1.20 1.02 -1.26 -4.97 120.64 109.91 2yuj n GLU 161 Ca 0.56 0.99 -0.14 0.00 -0.02 0.00 0.00 57.16 58.54 2yuj n GLU 161 Cb 0.78 -5.69 -0.14 0.00 -0.02 0.00 0.00 31.44 26.37 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 0.13 -0.96 3.49 3.01 -1.26 -5.09 119.74 113.88 2yuj s LYS 162 Ca 0.07 0.69 -0.21 0.00 -1.01 0.00 0.00 55.97 55.50 2yuj s LYS 162 Cb -0.03 -0.13 0.08 0.00 -1.01 0.00 0.00 37.83 36.74 2yuj s LYS 162 CO 0.08 -0.31 1.30 0.42 0.51 0.00 0.00 175.35 177.35 2yuj s ILE 163 N 2.39 4.25 0.27 2.17 1.09 -1.26 -4.28 121.20 125.83 2yuj s ILE 163 Ca 0.02 -1.02 -0.29 0.00 -1.10 0.00 0.00 60.65 58.25 2yuj s ILE 163 Cb -0.12 -4.93 -0.09 0.00 -1.06 0.00 0.00 42.46 36.26 2yuj s ILE 163 CO -0.08 -1.75 1.19 -0.31 -0.10 0.00 0.00 174.94 173.89 2yuj s TYR 164 N 4.06 3.39 -0.22 3.97 1.51 -0.56 -4.88 117.35 124.62 2yuj s TYR 164 Ca 0.39 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 57.86 2yuj s TYR 164 Cb -0.03 -3.44 -0.04 0.00 -0.11 0.00 0.00 41.96 38.34 2yuj s TYR 164 CO -0.08 -1.10 0.29 -1.21 -1.11 0.00 0.00 175.55 172.34 2yuj s GLU 165 N -1.20 4.12 -0.00 -0.62 2.02 -1.26 -2.65 118.70 119.10 2yuj s GLU 165 Ca 0.48 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.45 2yuj s GLU 165 Cb -0.34 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.35 2yuj s GLU 165 CO 0.43 -0.01 -0.00 -0.51 0.02 0.00 0.00 175.26 175.19 2yuj s LEU 166 N 1.24 1.85 -0.03 1.80 1.43 -1.21 -2.40 118.68 121.37 2yuj s LEU 166 Ca 0.14 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2yuj s LEU 166 Cb -0.14 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.02 2yuj s LEU 166 CO 0.07 -0.01 -0.12 -0.60 0.23 0.00 0.00 176.35 175.91 2yuj s ARG 167 N 0.16 1.23 0.09 1.70 3.52 -1.23 -1.34 118.95 123.08 2yuj s ARG 167 Ca -0.01 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 2yuj s ARG 167 Cb -0.03 -1.12 -0.07 0.00 -1.56 0.00 0.00 34.95 32.17 2yuj s ARG 167 CO -0.00 0.19 1.29 0.08 -0.81 0.00 0.00 175.30 176.04 2yuj s VAL 168 N 0.04 3.68 -0.10 7.11 1.01 -1.16 -0.95 120.40 130.03 2yuj s VAL 168 Ca -0.01 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 2yuj s VAL 168 Cb -0.09 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2yuj s VAL 168 CO 0.01 0.10 -0.14 0.23 0.00 0.00 0.00 175.10 175.29 2yuj n MET 169 N 3.88 0.33 -4.04 2.72 2.81 -0.94 -1.24 117.12 120.64 2yuj n MET 169 Ca 0.10 0.41 -0.12 0.00 -1.81 0.00 0.00 57.70 56.28 2yuj n MET 169 Cb 0.44 -1.40 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 2yuj n MET 169 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2yuj s GLU 170 N -1.95 0.48 -0.04 0.03 8.01 -1.24 -4.50 118.70 119.49 2yuj s GLU 170 Ca -0.12 -0.74 -0.07 0.00 0.01 0.00 0.00 54.97 54.05 2yuj s GLU 170 Cb 0.02 -0.18 0.01 0.00 -4.31 0.00 0.00 34.13 29.67 2yuj s GLU 170 CO 0.18 0.02 0.16 0.95 0.01 0.00 0.00 175.26 176.57 2yuj s THR 171 N -1.51 0.04 0.14 3.63 -4.23 -1.26 -0.59 115.64 111.86 2yuj s THR 171 Ca -0.11 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.20 2yuj s THR 171 Cb -0.09 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 2yuj s THR 171 CO -0.00 -0.16 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.17 2yuj s LYS 172 N -0.54 1.25 0.08 3.99 1.02 0.39 -4.22 119.74 121.71 2yuj s LYS 172 Ca -0.06 -1.31 -0.12 0.00 0.02 0.00 0.00 55.97 54.50 2yuj s LYS 172 Cb -0.04 -1.49 -0.23 0.00 -0.52 0.00 0.00 37.83 35.55 2yuj s LYS 172 CO 0.01 0.33 1.17 -1.00 -0.92 0.00 0.00 175.35 174.94 2yuj h PRO 173 N 3.68 0.59 -6.15 -1.68 0.13 -1.89 -2.19 132.00 124.48 2yuj h PRO 173 Ca -0.46 -0.71 -0.50 0.00 -0.87 0.00 0.00 66.00 63.46 2yuj h PRO 173 Cb 1.19 0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.50 2yuj h PRO 173 CO 0.44 1.30 -0.41 -0.51 -0.23 0.00 0.00 178.00 178.59 2yuj s ASP 174 N -7.30 5.02 0.39 1.44 1.01 -1.26 -5.02 116.67 110.95 2yuj s ASP 174 Ca -0.08 -0.73 0.07 0.00 0.71 0.00 0.00 52.55 52.52 2yuj s ASP 174 Cb 0.07 -0.64 0.82 0.00 1.01 0.00 0.00 42.92 44.18 2yuj s ASP 174 CO 0.91 -0.57 2.02 0.07 0.21 0.00 0.00 175.17 177.81 2yuj h LYS 175 N 1.13 0.61 -5.10 8.23 -0.00 -1.91 -3.40 116.57 116.14 2yuj h LYS 175 Ca -0.42 -0.04 -0.64 0.00 -0.00 0.00 0.00 60.65 59.55 2yuj h LYS 175 Cb 1.26 -0.14 -0.23 0.00 -0.00 0.00 0.00 32.23 33.12 2yuj h LYS 175 CO 0.59 0.40 -0.66 0.00 -0.00 0.00 0.00 179.45 179.78 2yuj s ALA 176 N -5.56 3.04 0.10 0.07 0.00 -1.26 -2.57 121.76 115.58 2yuj s ALA 176 Ca -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2yuj s ALA 176 Cb 0.18 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2yuj s ALA 176 CO 0.75 -0.19 -0.06 0.14 0.00 0.00 0.00 175.76 176.39 2yuj s VAL 177 N 1.08 0.68 -0.65 0.00 -7.23 -1.15 -4.62 120.40 108.51 2yuj s VAL 177 Ca 0.02 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2yuj s VAL 177 Cb -0.14 -1.68 0.17 0.00 0.56 0.00 0.00 36.38 35.28 2yuj s VAL 177 CO 0.02 -0.87 0.50 -0.55 -0.31 0.00 0.00 175.10 173.88 2yuj s SER 178 N -3.04 5.65 -1.22 4.85 0.15 0.22 -2.87 113.70 117.44 2yuj s SER 178 Ca 0.12 -2.68 -0.19 0.00 0.70 0.00 0.00 55.95 53.90 2yuj s SER 178 Cb 0.05 -1.95 0.07 0.00 -1.71 0.00 0.00 66.02 62.48 2yuj s SER 178 CO -0.05 -0.46 1.64 0.27 1.20 0.00 0.00 173.24 175.84 2yuj s ILE 179 N 0.19 4.12 -0.75 6.45 -4.36 -1.00 -3.64 121.20 122.21 2yuj s ILE 179 Ca 0.16 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2yuj s ILE 179 Cb -0.19 -5.14 0.18 0.00 1.25 0.00 0.00 42.46 38.56 2yuj s ILE 179 CO -0.04 -1.98 0.57 -0.63 0.24 0.00 0.00 174.94 173.10 2yuj s ILE 180 N 4.29 3.56 -0.44 8.37 1.01 -1.26 -4.73 121.20 132.00 2yuj s ILE 180 Ca 0.51 -3.83 -0.16 0.00 0.00 0.00 0.00 60.65 57.17 2yuj s ILE 180 Cb 0.03 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.23 2yuj s ILE 180 CO 0.03 -1.00 0.60 1.21 0.00 0.00 0.00 174.94 175.78 2yuj n GLU 181 N 2.45 -2.37 -3.56 2.79 2.13 -1.26 -5.06 120.64 115.75 2yuj n GLU 181 Ca 0.17 2.12 -0.15 0.00 0.66 0.00 0.00 57.16 59.96 2yuj n GLU 181 Cb 0.36 -5.69 -0.05 0.00 0.27 0.00 0.00 31.44 26.32 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 -1.84 6.50 0.34 0.00 1.01 -1.26 -5.04 116.67 116.38 2yuj s ASP 183 Ca -0.06 0.54 0.04 0.00 0.71 0.00 0.00 52.55 53.77 2yuj s ASP 183 Cb -0.01 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 2yuj s ASP 183 CO 0.00 -0.39 0.17 0.00 0.21 0.00 0.00 175.17 175.16 2yuj s MET 184 N 2.49 1.71 0.01 8.23 0.23 -1.26 -4.90 119.30 125.80 2yuj s MET 184 Ca 0.24 -2.00 -0.11 0.00 -1.03 0.00 0.00 55.69 52.79 2yuj s MET 184 Cb -0.15 -0.15 -0.05 0.00 -1.53 0.00 0.00 34.83 32.95 2yuj s MET 184 CO 0.10 -0.50 0.35 1.21 -2.03 0.00 0.00 175.02 174.15 2yuj s ASN 185 N -3.43 6.66 -0.48 -1.18 2.47 -0.47 -4.98 114.94 113.52 2yuj s ASN 185 Ca 0.34 0.80 0.03 0.00 0.42 0.00 0.00 52.86 54.44 2yuj s ASN 185 Cb 0.04 -2.18 0.15 0.00 -1.45 0.00 0.00 41.25 37.80 2yuj s ASN 185 CO 0.19 0.28 0.30 -0.69 -3.72 0.00 0.00 177.10 173.46 2yuj s VAL 186 N -1.19 1.51 0.92 -5.21 1.01 -1.25 -0.08 120.40 116.10 2yuj s VAL 186 Ca 0.26 -2.88 -0.15 0.00 0.00 0.00 0.00 61.98 59.21 2yuj s VAL 186 Cb -0.15 -2.04 0.16 0.00 0.00 0.00 0.00 36.38 34.36 2yuj s VAL 186 CO 0.14 -0.97 1.27 -0.62 0.00 0.00 0.00 175.10 174.92 2yuj s ASP 187 N -0.02 3.49 0.02 3.32 2.15 -0.11 -4.99 116.67 120.53 2yuj s ASP 187 Ca 0.21 0.45 0.03 0.00 0.43 0.00 0.00 52.55 53.67 2yuj s ASP 187 Cb -0.16 -0.64 -0.02 0.00 -0.30 0.00 0.00 42.92 41.80 2yuj s ASP 187 CO -0.06 -2.52 -0.08 -0.36 -0.17 0.00 0.00 175.17 171.98 2yuj s PHE 188 N -3.76 0.71 -0.23 -5.34 0.08 -1.26 -3.49 117.98 104.68 2yuj s PHE 188 Ca 0.70 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 2yuj s PHE 188 Cb -0.06 -0.43 0.09 0.00 -0.57 0.00 0.00 43.02 42.04 2yuj s PHE 188 CO 0.52 -0.03 0.14 0.34 -0.10 0.00 0.00 175.22 176.08 2yuj s ASP 189 N -0.94 2.69 0.00 1.36 -1.08 -0.90 -4.95 116.67 112.85 2yuj s ASP 189 Ca -0.03 -0.86 0.18 0.00 -0.52 0.00 0.00 52.55 51.31 2yuj s ASP 189 Cb -0.07 -0.16 0.14 0.00 -1.46 0.00 0.00 42.92 41.37 2yuj s ASP 189 CO 0.00 -0.39 1.07 0.00 0.52 0.00 0.00 175.17 176.37