#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuj h SER 2 N 0.00 0.00 -2.38 1.61 0.02 -2.09 -3.45 113.55 107.27 2yuj h SER 2 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2yuj h SER 2 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2yuj h SER 2 CO 0.00 0.24 1.36 -0.94 -1.14 0.00 0.00 176.83 176.35 2yuj s SER 3 N -4.18 5.67 -0.32 3.07 1.04 -1.26 -4.86 113.70 112.86 2yuj s SER 3 Ca -0.04 1.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.74 2yuj s SER 3 Cb 0.01 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.79 2yuj s SER 3 CO 0.05 -1.87 1.02 -0.83 0.98 0.00 0.00 173.24 172.60 2yuj s GLY 4 N 7.13 -1.28 0.42 7.32 0.00 -1.26 -5.15 107.32 114.50 2yuj s GLY 4 Ca 0.87 1.57 0.00 0.00 0.00 0.00 0.00 44.72 47.15 2yuj s GLY 4 CO 0.33 4.19 0.00 1.44 0.00 0.00 0.00 173.10 179.06 2yuj n SER 5 N 4.32 -8.62 -3.23 1.64 7.64 -1.26 -4.88 113.62 109.24 2yuj n SER 5 Ca 0.07 0.84 -0.22 0.00 1.01 0.00 0.00 58.87 60.57 2yuj n SER 5 Cb 0.61 -4.54 0.06 0.00 -1.01 0.00 0.00 64.21 59.33 2yuj n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuj n SER 6 N -4.28 -6.14 -3.92 6.43 2.88 -1.26 -5.00 113.62 102.34 2yuj n SER 6 Ca -0.02 -0.41 -0.10 0.00 -1.33 0.00 0.00 58.87 57.00 2yuj n SER 6 Cb 0.67 -4.85 -0.12 0.00 -0.75 0.00 0.00 64.21 59.16 2yuj n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yuj s GLY 7 N -3.05 0.11 -0.44 0.46 0.00 -1.26 -5.10 107.32 98.04 2yuj s GLY 7 Ca 0.45 -0.25 0.06 0.00 0.00 0.00 0.00 44.72 44.98 2yuj s GLY 7 CO 0.55 -0.32 0.59 4.51 0.00 0.00 0.00 173.10 178.43 2yuj n ILE 8 N 2.06 -0.57 -2.28 0.90 0.13 -1.26 -5.14 119.36 113.20 2yuj n ILE 8 Ca -0.20 -2.75 -0.36 0.00 -1.10 0.00 0.00 62.75 58.35 2yuj n ILE 8 Cb 0.57 -0.59 -0.00 0.00 -0.84 0.00 0.00 39.64 38.78 2yuj n ILE 8 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 2yuj s PRO 9 N -0.05 3.52 0.02 9.51 0.04 -1.26 -5.06 135.00 141.72 2yuj s PRO 9 Ca 0.33 1.64 0.02 0.00 0.04 0.00 0.00 61.00 63.03 2yuj s PRO 9 Cb 0.11 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2yuj s PRO 9 CO -0.15 -0.72 -0.07 -0.98 0.04 0.00 0.00 177.00 175.11 2yuj s ARG 10 N -3.09 0.52 -0.55 4.56 3.03 -1.26 -5.11 118.95 117.05 2yuj s ARG 10 Ca 0.69 -0.49 -0.27 0.00 2.03 0.00 0.00 55.73 57.69 2yuj s ARG 10 Cb -0.25 -0.41 0.03 0.00 -1.03 0.00 0.00 34.95 33.30 2yuj s ARG 10 CO 0.29 0.10 1.12 0.08 -1.13 0.00 0.00 175.30 175.76 2yuj s VAL 11 N -0.74 4.14 -0.50 4.99 1.01 -1.26 -4.89 120.40 123.14 2yuj s VAL 11 Ca -0.03 0.82 0.07 0.00 0.00 0.00 0.00 61.98 62.83 2yuj s VAL 11 Cb -0.06 -4.66 0.20 0.00 0.00 0.00 0.00 36.38 31.86 2yuj s VAL 11 CO 0.00 -1.23 0.70 0.49 0.00 0.00 0.00 175.10 175.07 2yuj n PHE 12 N 8.11 -3.32 -0.03 5.22 3.72 -1.26 -4.98 117.46 124.91 2yuj n PHE 12 Ca 0.08 -1.72 -0.04 0.00 -0.05 0.00 0.00 57.45 55.72 2yuj n PHE 12 Cb 0.49 1.31 -0.03 0.00 -0.94 0.00 0.00 39.48 40.30 2yuj n PHE 12 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2yuj n GLN 13 N 2.67 0.77 -4.19 -1.08 -0.06 -1.26 -5.02 117.38 109.21 2yuj n GLN 13 Ca 0.18 0.03 -0.11 0.00 -2.00 0.00 0.00 57.00 55.09 2yuj n GLN 13 Cb 0.56 -1.12 -0.10 0.00 -4.06 0.00 0.00 30.24 25.52 2yuj n GLN 13 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2yuj s ASN 14 N -4.40 0.49 0.09 1.69 3.84 -1.26 -4.30 114.94 111.09 2yuj s ASN 14 Ca -0.07 -1.27 0.00 0.00 0.21 0.00 0.00 52.86 51.73 2yuj s ASN 14 Cb 0.02 0.28 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 2yuj s ASN 14 CO 0.15 -0.73 0.00 0.54 -2.79 0.00 0.00 177.10 174.27 2yuj n ARG 15 N -0.20 -5.15 -3.10 0.43 1.74 -1.26 -4.93 116.66 104.20 2yuj n ARG 15 Ca -0.03 3.72 -0.39 0.00 -0.77 0.00 0.00 57.85 60.37 2yuj n ARG 15 Cb 0.64 -4.37 -0.05 0.00 -1.02 0.00 0.00 32.46 27.66 2yuj n ARG 15 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2yuj s PHE 16 N -0.54 3.56 -0.22 -1.55 5.36 -1.26 -5.02 117.98 118.30 2yuj s PHE 16 Ca 0.00 1.17 -0.09 0.00 -0.96 0.00 0.00 56.93 57.05 2yuj s PHE 16 Cb 0.00 -2.76 0.09 0.00 -0.34 0.00 0.00 43.02 40.01 2yuj s PHE 16 CO 0.00 0.09 0.50 -1.54 -1.46 0.00 0.00 175.22 172.81 2yuj s SER 17 N 0.79 -0.59 0.02 6.13 1.04 -1.25 -3.03 113.70 116.80 2yuj s SER 17 Ca 0.35 1.15 -0.27 0.00 0.48 0.00 0.00 55.95 57.66 2yuj s SER 17 Cb -0.17 1.36 0.09 0.00 0.10 0.00 0.00 66.02 67.40 2yuj s SER 17 CO 0.16 -0.22 1.25 0.28 0.98 0.00 0.00 173.24 175.69 2yuj s THR 18 N 2.17 0.00 0.17 2.02 -1.32 -1.16 -5.01 115.64 112.51 2yuj s THR 18 Ca -0.06 -0.24 0.06 0.00 -1.21 0.00 0.00 61.69 60.24 2yuj s THR 18 Cb -0.10 -2.93 -0.04 0.00 -1.51 0.00 0.00 72.50 67.92 2yuj s THR 18 CO -0.15 0.00 0.10 -1.10 -2.21 0.00 0.00 174.62 171.26 2yuj s GLN 19 N -2.05 2.77 0.01 7.08 -0.21 -1.26 -1.65 119.66 124.34 2yuj s GLN 19 Ca 0.28 -0.95 -0.22 0.00 0.02 0.00 0.00 55.36 54.49 2yuj s GLN 19 Cb -0.01 -2.56 0.05 0.00 1.00 0.00 0.00 33.01 31.49 2yuj s GLN 19 CO 0.00 0.47 0.49 0.71 -2.12 0.00 0.00 175.29 174.85 2yuj s TYR 20 N -1.77 -0.40 0.07 0.91 2.02 -1.22 -4.97 117.35 111.99 2yuj s TYR 20 Ca 0.30 0.54 -0.27 0.00 -0.37 0.00 0.00 57.07 57.27 2yuj s TYR 20 Cb -0.10 0.28 -0.06 0.00 -0.40 0.00 0.00 41.96 41.69 2yuj s TYR 20 CO 0.22 -0.57 0.84 1.03 -1.57 0.00 0.00 175.55 175.51 2yuj s ARG 21 N -1.91 4.58 -0.20 -0.62 0.52 -1.21 -2.77 118.95 117.32 2yuj s ARG 21 Ca -0.08 1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 56.26 2yuj s ARG 21 Cb -0.01 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.04 2yuj s ARG 21 CO 0.02 0.25 0.10 0.00 0.02 0.00 0.00 175.30 175.70 2yuj s PHE 23 N 0.61 1.55 0.87 0.00 0.08 -0.74 -2.63 117.98 117.72 2yuj s PHE 23 Ca 0.05 -1.48 -0.09 0.00 0.12 0.00 0.00 56.93 55.53 2yuj s PHE 23 Cb -0.13 -0.73 0.19 0.00 -0.57 0.00 0.00 43.02 41.78 2yuj s PHE 23 CO 0.01 -0.68 1.19 0.45 -0.10 0.00 0.00 175.22 176.09 2yuj n SER 24 N -1.00 0.74 -1.60 1.36 2.88 -1.26 -1.59 113.62 113.15 2yuj n SER 24 Ca 0.04 -1.83 0.05 0.00 -1.33 0.00 0.00 58.87 55.80 2yuj n SER 24 Cb 0.64 -0.85 0.32 0.00 -0.75 0.00 0.00 64.21 63.57 2yuj n SER 24 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2yuj n VAL 25 N -3.39 2.18 0.08 2.46 0.24 -1.16 -4.04 118.33 114.70 2yuj n VAL 25 Ca 0.17 -1.10 0.11 0.00 -2.04 0.00 0.00 64.34 61.48 2yuj n VAL 25 Cb 0.60 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.53 2yuj n VAL 25 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yuj n SER 26 N 0.48 0.31 -1.48 -1.34 7.64 -1.26 -4.13 113.62 113.84 2yuj n SER 26 Ca 0.22 0.06 0.05 0.00 1.01 0.00 0.00 58.87 60.21 2yuj n SER 26 Cb 1.00 1.44 0.28 0.00 -1.01 0.00 0.00 64.21 65.93 2yuj n SER 26 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yuj n MET 27 N -2.35 3.73 -0.09 1.43 2.00 -1.26 -4.30 117.12 116.28 2yuj n MET 27 Ca -0.02 -2.21 -0.12 0.00 0.00 0.00 0.00 57.70 55.35 2yuj n MET 27 Cb 0.55 -2.04 -0.05 0.00 0.00 0.00 0.00 33.22 31.68 2yuj n MET 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2yuj n LEU 28 N 0.43 1.87 0.00 4.03 7.94 -1.26 -5.09 117.00 124.93 2yuj n LEU 28 Ca 0.20 0.48 0.09 0.00 -1.11 0.00 0.00 56.01 55.66 2yuj n LEU 28 Cb 0.92 -0.84 -0.02 0.00 0.53 0.00 0.00 43.42 44.00 2yuj n LEU 28 CO 0.23 -0.16 -0.13 0.00 -1.11 0.00 0.00 177.39 176.23 2yuj n ALA 29 N -3.91 -1.77 0.00 1.96 0.00 -1.26 -5.07 120.51 110.46 2yuj n ALA 29 Ca -0.19 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2yuj n ALA 29 Cb 0.49 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.00 1.86 0.22 0.00 0.00 -1.26 -4.95 105.19 99.06 2yuj n GLY 30 Ca 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 0.51 -4.52 1.61 0.13 -2.09 -3.42 132.00 124.22 2yuj h PRO 31 Ca 0.00 -0.25 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 2yuj h PRO 31 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.78 2yuj h PRO 31 CO 0.00 0.83 -0.82 -0.80 -0.23 0.00 0.00 178.00 176.97 2yuj s ASN 32 N -6.85 2.36 0.08 1.44 0.01 -1.26 -5.13 114.94 105.58 2yuj s ASN 32 Ca -0.07 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.72 2yuj s ASN 32 Cb 0.13 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 2yuj s ASN 32 CO 0.81 -0.05 0.06 1.51 -1.51 0.00 0.00 177.10 177.92 2yuj s ASP 33 N 1.36 5.41 0.05 -1.22 1.47 -1.26 -5.09 116.67 117.38 2yuj s ASP 33 Ca 0.00 -0.05 -0.10 0.00 1.18 0.00 0.00 52.55 53.58 2yuj s ASP 33 Cb -0.14 -1.42 0.01 0.00 -0.34 0.00 0.00 42.92 41.03 2yuj s ASP 33 CO -0.06 0.17 0.21 -0.60 0.68 0.00 0.00 175.17 175.57 2yuj s ARG 34 N -2.37 0.73 -0.36 2.11 6.06 -1.26 -5.04 118.95 118.82 2yuj s ARG 34 Ca 0.28 -0.65 0.06 0.00 -2.50 0.00 0.00 55.73 52.92 2yuj s ARG 34 Cb -0.12 0.30 0.63 0.00 0.06 0.00 0.00 34.95 35.83 2yuj s ARG 34 CO 0.21 -0.22 1.78 -1.13 -2.50 0.00 0.00 175.30 173.44 2yuj n SER 35 N 0.57 4.06 -1.36 -2.12 3.41 -1.26 -4.23 113.62 112.70 2yuj n SER 35 Ca -0.18 -3.30 0.10 0.00 -0.26 0.00 0.00 58.87 55.23 2yuj n SER 35 Cb 0.59 -0.77 0.32 0.00 -0.26 0.00 0.00 64.21 64.09 2yuj n SER 35 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2yuj n ASP 36 N -0.61 4.14 -0.09 4.04 8.00 -1.26 -4.05 116.55 126.73 2yuj n ASP 36 Ca 0.47 -2.17 -0.11 0.00 0.71 0.00 0.00 54.79 53.69 2yuj n ASP 36 Cb 1.45 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 41.94 2yuj n ASP 36 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2yuj n VAL 37 N 1.32 1.10 0.07 2.53 0.31 -1.26 -4.53 118.33 117.87 2yuj n VAL 37 Ca 0.24 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 2yuj n VAL 37 Cb 0.70 -0.90 -0.13 0.00 -0.91 0.00 0.00 33.84 32.60 2yuj n VAL 37 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2yuj h GLU 38 N 0.00 0.07 -5.74 5.55 4.81 -1.87 -3.41 114.58 113.98 2yuj h GLU 38 Ca -0.43 -0.12 -0.63 0.00 -0.13 0.00 0.00 59.36 58.05 2yuj h GLU 38 Cb 1.82 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 31.12 2yuj h GLU 38 CO -0.02 1.04 1.21 0.15 -0.73 0.00 0.00 179.01 180.65 2yuj s LYS 39 N -2.69 3.54 0.00 1.92 1.02 -1.26 -4.79 119.74 117.49 2yuj s LYS 39 Ca -0.01 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2yuj s LYS 39 Cb 0.09 -5.08 0.00 0.00 -0.52 0.00 0.00 37.83 32.32 2yuj s LYS 39 CO 0.84 -2.05 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 2yuj n GLY 40 N 6.26 1.36 2.05 -3.33 0.00 -1.26 -4.87 105.19 105.40 2yuj n GLY 40 Ca 0.26 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.79 4.80 3.77 -0.02 0.00 -1.24 -4.91 105.19 105.80 2yuj n GLY 41 Ca 0.00 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.37 4.29 0.29 1.61 -0.14 -1.26 -2.82 119.74 118.33 2yuj s LYS 42 Ca 0.56 0.71 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 2yuj s LYS 42 Cb 0.47 -3.33 -0.06 0.00 -1.68 0.00 0.00 37.83 33.23 2yuj s LYS 42 CO 0.07 0.40 0.02 0.96 -0.76 0.00 0.00 175.35 176.05 2yuj s ILE 43 N -0.30 1.19 -0.01 2.17 -4.36 -1.05 -4.62 121.20 114.23 2yuj s ILE 43 Ca 0.30 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.74 2yuj s ILE 43 Cb -0.18 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 2yuj s ILE 43 CO 0.17 -0.15 -0.26 -0.63 0.24 0.00 0.00 174.94 174.31 2yuj s ILE 44 N -3.31 2.04 0.12 8.37 1.01 -0.99 -1.51 121.20 126.92 2yuj s ILE 44 Ca 0.33 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2yuj s ILE 44 Cb 0.07 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2yuj s ILE 44 CO 0.13 0.53 -0.09 -0.04 0.00 0.00 0.00 174.94 175.47 2yuj s MET 45 N -0.72 0.92 0.98 2.79 -1.94 -0.81 -2.44 119.30 118.08 2yuj s MET 45 Ca 0.10 -1.31 -0.13 0.00 -1.71 0.00 0.00 55.69 52.64 2yuj s MET 45 Cb -0.10 -0.49 0.05 0.00 2.01 0.00 0.00 34.83 36.30 2yuj s MET 45 CO -0.00 0.06 0.39 -2.30 -0.01 0.00 0.00 175.02 173.15 2yuj n PRO 46 N 0.14 -0.51 0.22 2.03 -0.02 -1.26 -2.67 135.00 132.93 2yuj n PRO 46 Ca -0.13 -0.11 0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2yuj n PRO 46 Cb 0.59 -1.86 0.50 0.00 -0.02 0.00 0.00 33.50 32.71 2yuj n PRO 46 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2yuj h PRO 47 N -1.66 0.00 -0.86 0.52 0.13 -1.80 -3.01 132.00 125.32 2yuj h PRO 47 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2yuj h PRO 47 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2yuj h PRO 47 CO 0.35 0.26 0.57 0.66 -0.23 0.00 0.00 178.00 179.61 2yuj h SER 48 N 0.00 0.94 -0.36 1.44 4.64 -1.91 -1.45 113.55 116.85 2yuj h SER 48 Ca -0.00 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2yuj h SER 48 Cb 0.64 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 2yuj h SER 48 CO 0.03 0.65 0.24 0.00 -0.87 0.00 0.00 176.83 176.88 2yuj h ALA 49 N 1.49 1.83 0.14 5.18 0.00 -1.88 0.45 119.26 126.47 2yuj h ALA 49 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2yuj h ALA 49 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2yuj h ALA 49 CO -0.10 0.13 -0.07 1.25 0.00 0.00 0.00 179.25 180.47 2yuj h LEU 50 N 0.41 -0.16 -0.85 0.00 5.85 -1.41 0.45 115.31 119.61 2yuj h LEU 50 Ca 0.14 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2yuj h LEU 50 Cb 0.07 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2yuj h LEU 50 CO -0.03 -0.03 -0.54 0.44 -0.34 0.00 0.00 178.44 177.95 2yuj h ASP 51 N -0.29 0.12 -0.14 1.25 3.32 -1.44 -2.87 116.42 116.37 2yuj h ASP 51 Ca -0.02 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 2yuj h ASP 51 Cb 0.23 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2yuj h ASP 51 CO 0.03 0.63 -0.41 -0.61 -1.72 0.00 0.00 179.24 177.17 2yuj h GLN 52 N 0.08 0.52 0.12 3.56 5.75 -0.72 -1.95 115.11 122.47 2yuj h GLN 52 Ca -0.00 -0.37 0.01 0.00 -0.15 0.00 0.00 58.65 58.13 2yuj h GLN 52 Cb 0.98 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 2yuj h GLN 52 CO 0.08 0.99 -0.13 -0.07 -2.65 0.00 0.00 178.83 177.05 2yuj h LEU 53 N 0.13 -0.35 -1.49 -2.39 3.38 -0.06 0.20 115.31 114.72 2yuj h LEU 53 Ca -0.01 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2yuj h LEU 53 Cb 1.03 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2yuj h LEU 53 CO 0.09 -0.20 -0.26 0.28 0.09 0.00 0.00 178.44 178.44 2yuj h SER 54 N -0.28 0.00 1.16 -0.43 0.02 -1.59 0.12 113.55 112.55 2yuj h SER 54 Ca 0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2yuj h SER 54 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2yuj h SER 54 CO -0.05 0.26 -0.50 0.03 -1.14 0.00 0.00 176.83 175.43 2yuj h ARG 55 N 0.00 0.00 -0.70 3.45 3.08 -0.72 -3.09 114.38 116.40 2yuj h ARG 55 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2yuj h ARG 55 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 2yuj h ARG 55 CO 0.03 0.50 0.00 1.28 -1.07 0.00 0.00 179.97 180.72 2yuj n LEU 56 N -3.37 4.49 -3.11 3.04 4.77 0.64 -4.89 117.00 118.56 2yuj n LEU 56 Ca 0.01 -2.28 -0.23 0.00 -0.03 0.00 0.00 56.01 53.48 2yuj n LEU 56 Cb 0.66 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2yuj n LEU 56 CO 0.40 0.53 0.01 0.59 -1.33 0.00 0.00 177.39 177.58 2yuj n ASN 57 N 0.45 -5.79 -4.49 -1.43 5.03 -1.15 -4.36 115.26 103.52 2yuj n ASN 57 Ca 0.21 -0.32 -0.39 0.00 0.87 0.00 0.00 54.58 54.95 2yuj n ASN 57 Cb 0.95 -4.68 -0.11 0.00 -1.02 0.00 0.00 39.78 34.92 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2yuj s ILE 58 N -3.15 4.87 0.46 2.41 1.01 0.34 -5.03 121.20 122.12 2yuj s ILE 58 Ca 0.34 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.80 2yuj s ILE 58 Cb -0.15 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2yuj s ILE 58 CO 0.42 0.11 0.20 0.28 0.00 0.00 0.00 174.94 175.94 2yuj s THR 59 N 1.67 1.94 0.42 2.92 -1.32 -1.26 -4.10 115.64 115.90 2yuj s THR 59 Ca 0.06 -1.71 -0.25 0.00 -1.21 0.00 0.00 61.69 58.58 2yuj s THR 59 Cb -0.17 -2.64 -0.08 0.00 -1.51 0.00 0.00 72.50 68.10 2yuj s THR 59 CO 0.08 0.00 1.23 -0.47 -2.21 0.00 0.00 174.62 173.25 2yuj s TYR 60 N -2.69 2.90 0.65 9.09 5.04 -1.26 -4.15 117.35 126.93 2yuj s TYR 60 Ca 0.33 1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 56.34 2yuj s TYR 60 Cb 0.02 -3.51 -0.02 0.00 0.35 0.00 0.00 41.96 38.80 2yuj s TYR 60 CO 0.19 -1.71 1.05 -1.25 -1.34 0.00 0.00 175.55 172.48 2yuj s PRO 61 N -2.38 3.25 -0.51 4.97 0.04 -1.26 -5.13 135.00 133.98 2yuj s PRO 61 Ca 0.59 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.59 2yuj s PRO 61 Cb -0.33 -2.03 0.35 0.00 0.04 0.00 0.00 34.50 32.52 2yuj s PRO 61 CO 0.42 -0.85 0.91 -1.33 0.04 0.00 0.00 177.00 176.19 2yuj n MET 62 N -2.88 2.66 -2.38 4.56 2.81 -1.26 -4.98 117.12 115.66 2yuj n MET 62 Ca 0.07 -4.44 -0.43 0.00 -1.81 0.00 0.00 57.70 51.09 2yuj n MET 62 Cb 0.54 -2.09 -0.02 0.00 -0.71 0.00 0.00 33.22 30.94 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 -3.22 3.88 0.06 4.03 1.43 -1.26 -3.99 118.68 119.61 2yuj s LEU 63 Ca 0.46 1.27 -0.28 0.00 -1.03 0.00 0.00 54.13 54.55 2yuj s LEU 63 Cb 0.31 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 2yuj s LEU 63 CO -0.12 -1.11 0.90 -0.36 0.23 0.00 0.00 176.35 175.89 2yuj s PHE 64 N 4.50 3.75 -0.87 0.29 0.08 -0.12 -3.02 117.98 122.57 2yuj s PHE 64 Ca 0.58 1.66 -0.22 0.00 0.12 0.00 0.00 56.93 59.08 2yuj s PHE 64 Cb -0.18 -2.99 0.09 0.00 -0.57 0.00 0.00 43.02 39.37 2yuj s PHE 64 CO 0.24 0.17 1.19 0.21 -0.10 0.00 0.00 175.22 176.94 2yuj s LYS 65 N 0.24 3.45 -1.30 0.44 2.20 0.89 -2.11 119.74 123.54 2yuj s LYS 65 Ca 0.45 -1.23 -0.18 0.00 -0.36 0.00 0.00 55.97 54.66 2yuj s LYS 65 Cb -0.22 -4.81 0.03 0.00 -1.51 0.00 0.00 37.83 31.32 2yuj s LYS 65 CO 0.27 -1.94 1.90 1.28 -0.36 0.00 0.00 175.35 176.50 2yuj n LEU 66 N 7.73 5.19 -4.46 5.43 4.77 -1.13 -3.65 117.00 130.88 2yuj n LEU 66 Ca 0.18 -3.84 -0.43 0.00 -0.03 0.00 0.00 56.01 51.89 2yuj n LEU 66 Cb 0.49 -1.69 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 2yuj n LEU 66 CO 0.60 0.15 0.60 -0.89 -1.33 0.00 0.00 177.39 176.52 2yuj s THR 67 N 4.76 4.55 0.08 -5.08 2.01 -1.17 -2.81 115.64 117.98 2yuj s THR 67 Ca 0.54 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.95 2yuj s THR 67 Cb 0.07 -4.52 -0.08 0.00 0.01 0.00 0.00 72.50 67.98 2yuj s THR 67 CO 0.04 -1.14 1.51 0.21 -0.69 0.00 0.00 174.62 174.55 2yuj s ASN 68 N 3.16 6.71 -0.47 3.53 3.84 0.18 -3.36 114.94 128.54 2yuj s ASN 68 Ca 0.21 2.38 0.03 0.00 0.21 0.00 0.00 52.86 55.69 2yuj s ASN 68 Cb -0.17 -2.57 0.59 0.00 -0.55 0.00 0.00 41.25 38.54 2yuj s ASN 68 CO 0.13 -0.78 1.91 0.29 -2.79 0.00 0.00 177.10 175.86 2yuj n LYS 69 N 4.83 2.27 0.00 0.43 4.76 -1.26 -3.05 118.16 126.14 2yuj n LYS 69 Ca 0.14 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.67 2yuj n LYS 69 Cb 0.41 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 2yuj n LYS 69 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2yuj n ASN 70 N -1.00 2.04 -0.33 4.39 2.85 -1.26 -4.83 115.26 117.12 2yuj n ASN 70 Ca 0.57 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 55.12 2yuj n ASN 70 Cb 1.41 0.00 0.13 0.00 1.24 0.00 0.00 39.78 42.56 2yuj n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2yuj n SER 71 N -2.55 1.82 -2.62 1.20 7.64 -1.26 -4.97 113.62 112.89 2yuj n SER 71 Ca 0.00 -3.10 -0.17 0.00 1.01 0.00 0.00 58.87 56.61 2yuj n SER 71 Cb 0.41 -0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2yuj n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2yuj n ASP 72 N -1.08 -4.65 -4.87 6.43 8.00 -1.20 -4.95 116.55 114.24 2yuj n ASP 72 Ca 0.14 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.35 2yuj n ASP 72 Cb 0.69 -3.89 -0.01 0.00 -0.02 0.00 0.00 41.12 37.89 2yuj n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2yuj s ARG 73 N -5.24 3.70 -0.21 -1.24 1.81 -1.17 -4.91 118.95 111.69 2yuj s ARG 73 Ca 0.09 0.65 -0.13 0.00 -1.72 0.00 0.00 55.73 54.62 2yuj s ARG 73 Cb -0.04 -2.20 0.06 0.00 -0.45 0.00 0.00 34.95 32.32 2yuj s ARG 73 CO 0.11 -0.34 0.53 1.41 -0.68 0.00 0.00 175.30 176.32 2yuj s MET 74 N -4.62 0.54 -0.30 3.54 -2.45 -1.26 -0.64 119.30 114.11 2yuj s MET 74 Ca 0.54 0.92 -0.05 0.00 -1.25 0.00 0.00 55.69 55.85 2yuj s MET 74 Cb -0.10 0.09 0.16 0.00 1.25 0.00 0.00 34.83 36.23 2yuj s MET 74 CO 0.43 -0.14 0.62 -0.08 1.05 0.00 0.00 175.02 176.90 2yuj s THR 75 N 1.27 -1.00 -0.16 10.11 -1.32 -1.12 -4.94 115.64 118.47 2yuj s THR 75 Ca -0.08 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 2yuj s THR 75 Cb -0.06 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2yuj s THR 75 CO -0.13 -0.00 1.03 -1.00 -2.21 0.00 0.00 174.62 172.32 2yuj s HIS 76 N 2.88 3.41 0.13 9.09 3.76 -1.26 -2.86 115.29 130.44 2yuj s HIS 76 Ca 0.09 1.52 0.10 0.00 -0.15 0.00 0.00 55.06 56.62 2yuj s HIS 76 Cb -0.14 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 2yuj s HIS 76 CO -0.20 -0.40 -0.20 0.00 -0.85 0.00 0.00 174.74 173.09 2yuj s GLY 78 N -2.23 1.86 0.48 0.00 0.00 -1.13 -0.95 107.32 105.37 2yuj s GLY 78 Ca 0.18 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 43.90 2yuj s GLY 78 CO 0.10 0.06 1.16 0.54 0.00 0.00 0.00 173.10 174.96 2yuj s VAL 79 N 0.44 3.09 0.20 1.40 0.11 -1.26 -2.53 120.40 121.85 2yuj s VAL 79 Ca 0.02 0.78 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 2yuj s VAL 79 Cb -0.13 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2yuj s VAL 79 CO 0.01 -0.05 0.00 -0.11 -3.33 0.00 0.00 175.10 171.62 2yuj n LEU 80 N -0.72 0.43 -4.63 2.54 7.94 -0.57 -4.81 117.00 117.17 2yuj n LEU 80 Ca 0.09 0.32 -0.31 0.00 -1.11 0.00 0.00 56.01 55.00 2yuj n LEU 80 Cb 0.49 0.06 -0.09 0.00 0.53 0.00 0.00 43.42 44.40 2yuj n LEU 80 CO 0.46 -0.77 -0.37 -1.61 -1.11 0.00 0.00 177.39 174.00 2yuj s GLU 81 N -2.00 2.52 -0.56 1.96 8.01 -1.19 -5.04 118.70 122.40 2yuj s GLU 81 Ca 0.00 -0.79 0.03 0.00 0.01 0.00 0.00 54.97 54.22 2yuj s GLU 81 Cb 0.00 -2.51 0.40 0.00 -4.31 0.00 0.00 34.13 27.71 2yuj s GLU 81 CO 0.00 0.57 1.39 1.19 0.01 0.00 0.00 175.26 178.43 2yuj n PHE 82 N 1.10 3.27 -3.63 1.61 3.01 -1.26 -1.93 117.46 119.62 2yuj n PHE 82 Ca -0.14 -2.86 -0.27 0.00 1.01 0.00 0.00 57.45 55.20 2yuj n PHE 82 Cb 0.52 -0.43 -0.11 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.51 0.41 -4.40 -4.37 0.24 -1.09 -3.60 118.33 105.01 2yuj n VAL 83 Ca 0.44 -4.26 -0.21 0.00 -2.04 0.00 0.00 64.34 58.27 2yuj n VAL 83 Cb 0.54 -1.95 -0.09 0.00 -1.47 0.00 0.00 33.84 30.87 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 -0.90 2.24 0.73 2.33 0.00 -1.22 -4.86 121.76 120.08 2yuj s ALA 84 Ca 0.30 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 2yuj s ALA 84 Cb 0.01 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.08 2yuj s ALA 84 CO -0.17 -0.41 1.08 -0.51 0.00 0.00 0.00 175.76 175.75 2yuj s ASP 85 N -3.45 5.13 -0.31 0.00 1.11 -1.25 -4.50 116.67 113.40 2yuj s ASP 85 Ca 0.33 1.36 -0.28 0.00 0.18 0.00 0.00 52.55 54.14 2yuj s ASP 85 Cb 0.06 -2.18 -0.02 0.00 1.07 0.00 0.00 42.92 41.84 2yuj s ASP 85 CO 0.15 -1.57 1.87 -1.61 1.18 0.00 0.00 175.17 175.19 2yuj s GLU 86 N -5.17 3.30 -0.47 8.23 2.02 -1.26 -2.30 118.70 123.05 2yuj s GLU 86 Ca 0.59 1.54 -0.01 0.00 0.02 0.00 0.00 54.97 57.11 2yuj s GLU 86 Cb -0.13 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2yuj s GLU 86 CO 0.54 -1.89 0.18 0.41 0.02 0.00 0.00 175.26 174.51 2yuj n GLY 87 N 5.48 0.31 2.62 -1.39 0.00 -1.26 -5.02 105.19 105.93 2yuj n GLY 87 Ca 0.24 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.70 -0.12 0.10 -0.61 1.01 -0.97 -3.33 121.20 114.57 2yuj s ILE 88 Ca 0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 2yuj s ILE 88 Cb -0.04 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.47 2yuj s ILE 88 CO 0.11 -0.76 0.93 0.00 0.00 0.00 0.00 174.94 175.22 2yuj s TYR 90 N 0.01 3.36 0.14 0.00 2.02 -1.02 -1.80 117.35 120.07 2yuj s TYR 90 Ca 0.46 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 57.51 2yuj s TYR 90 Cb -0.23 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.05 2yuj s TYR 90 CO 0.29 0.17 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.80 2yuj s LEU 91 N 0.74 2.48 0.00 -1.29 1.02 -0.62 -2.35 118.68 118.67 2yuj s LEU 91 Ca 0.09 -0.93 -0.04 0.00 0.02 0.00 0.00 54.13 53.26 2yuj s LEU 91 Cb -0.12 -0.46 0.07 0.00 0.02 0.00 0.00 46.19 45.69 2yuj s LEU 91 CO 0.02 -0.24 0.16 -2.65 0.02 0.00 0.00 176.35 173.66 2yuj n PRO 92 N 0.09 -1.25 -0.00 1.29 -0.02 -1.26 -3.00 135.00 130.85 2yuj n PRO 92 Ca -0.12 -0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 60.89 2yuj n PRO 92 Cb 0.59 -0.43 -0.14 0.00 -0.02 0.00 0.00 33.50 33.50 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 -3.28 1.20 -0.09 6.00 -0.00 -1.26 -3.70 115.22 114.08 2yuj n HIS 93 Ca 0.03 0.27 -0.13 0.00 0.46 0.00 0.00 57.72 58.34 2yuj n HIS 93 Cb 0.11 -1.16 -0.04 0.00 -0.12 0.00 0.00 29.99 28.77 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 0.06 0.81 -0.12 1.57 5.08 -1.93 -2.63 115.95 118.80 2yuj h TRP 94 Ca -0.42 -0.24 -0.01 0.00 1.08 0.00 0.00 58.89 59.30 2yuj h TRP 94 Cb 2.03 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 28.01 2yuj h TRP 94 CO 0.07 0.97 0.03 1.98 -1.28 0.00 0.00 178.44 180.21 2yuj h MET 95 N 0.42 0.17 -0.01 0.12 4.05 -1.88 0.20 114.93 118.01 2yuj h MET 95 Ca 0.05 -0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.28 2yuj h MET 95 Cb 0.83 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2yuj h MET 95 CO 0.07 0.17 -0.78 1.98 0.23 0.00 0.00 176.91 178.57 2yuj h MET 96 N 0.17 0.11 0.17 0.39 4.05 -1.60 -2.05 114.93 116.17 2yuj h MET 96 Ca 0.04 -0.11 -0.31 0.00 -0.28 0.00 0.00 59.70 59.05 2yuj h MET 96 Cb 0.08 0.03 0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2yuj h MET 96 CO -0.00 0.83 -1.44 1.96 0.23 0.00 0.00 176.91 178.50 2yuj h GLN 97 N 0.07 0.36 -0.23 0.39 1.08 -0.92 -2.86 115.11 113.00 2yuj h GLN 97 Ca -0.02 -0.62 -0.07 0.00 -1.45 0.00 0.00 58.65 56.49 2yuj h GLN 97 Cb 1.37 0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 29.02 2yuj h GLN 97 CO 0.11 1.27 -0.13 -0.97 -0.95 0.00 0.00 178.83 178.17 2yuj h ASN 98 N 0.10 0.50 0.71 1.46 -1.24 -0.68 -2.96 115.58 113.48 2yuj h ASN 98 Ca -0.22 -0.42 -0.04 0.00 0.71 0.00 0.00 56.30 56.33 2yuj h ASN 98 Cb 2.06 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.96 2yuj h ASN 98 CO 0.21 0.82 -0.17 -0.07 -1.29 0.00 0.00 177.43 176.93 2yuj h LEU 99 N 0.19 0.00 -1.66 0.34 3.38 -1.50 -3.47 115.31 112.59 2yuj h LEU 99 Ca 0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 2yuj h LEU 99 Cb 0.63 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.50 2yuj h LEU 99 CO 0.04 0.17 -0.52 0.18 0.09 0.00 0.00 178.44 178.40 2yuj n LEU 100 N -3.45 -3.35 0.00 1.67 4.77 -1.09 -4.87 117.00 110.68 2yuj n LEU 100 Ca -0.01 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.42 2yuj n LEU 100 Cb 0.35 -2.30 0.06 0.00 -2.33 0.00 0.00 43.42 39.20 2yuj n LEU 100 CO 0.31 0.28 0.30 0.18 -1.33 0.00 0.00 177.39 177.14 2yuj n LEU 101 N -3.20 0.00 -4.35 2.23 4.77 -1.15 -4.97 117.00 110.33 2yuj n LEU 101 Ca -0.17 -1.50 -0.19 0.00 -0.03 0.00 0.00 56.01 54.12 2yuj n LEU 101 Cb 0.61 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2yuj n LEU 101 CO 0.42 -0.72 -0.20 -0.70 -1.33 0.00 0.00 177.39 174.86 2yuj s GLU 102 N -3.91 1.63 -0.72 3.23 2.56 -1.26 -4.98 118.70 115.25 2yuj s GLU 102 Ca 0.41 -1.93 -0.26 0.00 0.00 0.00 0.00 54.97 53.19 2yuj s GLU 102 Cb -0.03 -0.14 -0.12 0.00 2.00 0.00 0.00 34.13 35.84 2yuj s GLU 102 CO 0.27 -0.45 2.42 -0.85 -0.56 0.00 0.00 175.26 176.08 2yuj n GLU 103 N -0.61 0.67 0.00 4.30 0.28 -1.26 -0.88 120.64 123.14 2yuj n GLU 103 Ca 0.01 -0.65 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 2yuj n GLU 103 Cb 0.65 -3.63 0.00 0.00 1.43 0.00 0.00 31.44 29.89 2yuj n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yuj n GLY 104 N 6.61 1.81 3.71 -1.84 0.00 -1.08 -5.03 105.19 109.38 2yuj n GLY 104 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 2.09 -0.13 -0.02 0.00 -0.06 -4.58 107.32 102.62 2yuj s GLY 105 Ca 0.00 1.05 -0.22 0.00 0.00 0.00 0.00 44.72 45.55 2yuj s GLY 105 CO 0.00 2.26 0.67 1.08 0.00 0.00 0.00 173.10 177.11 2yuj s LEU 106 N 1.09 4.23 0.14 0.66 1.43 -1.26 -1.11 118.68 123.86 2yuj s LEU 106 Ca 0.63 1.02 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 2yuj s LEU 106 Cb -0.35 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2yuj s LEU 106 CO 0.30 -0.19 -0.13 -0.69 0.23 0.00 0.00 176.35 175.87 2yuj s VAL 107 N 1.33 1.34 -0.11 -1.59 1.01 -1.12 -4.71 120.40 116.56 2yuj s VAL 107 Ca 0.33 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 2yuj s VAL 107 Cb -0.17 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2yuj s VAL 107 CO 0.14 -0.51 1.02 -1.58 0.00 0.00 0.00 175.10 174.17 2yuj s GLN 108 N -3.01 4.41 -0.37 2.72 2.00 -1.21 -3.37 119.66 120.81 2yuj s GLN 108 Ca 0.12 1.41 -0.05 0.00 -2.00 0.00 0.00 55.36 54.84 2yuj s GLN 108 Cb -0.03 -3.55 0.07 0.00 0.80 0.00 0.00 33.01 30.30 2yuj s GLN 108 CO 0.03 -0.35 0.14 0.08 -0.50 0.00 0.00 175.29 174.69 2yuj s VAL 109 N 2.12 3.52 -0.06 1.34 1.01 -0.66 -3.02 120.40 124.66 2yuj s VAL 109 Ca 0.49 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 60.96 2yuj s VAL 109 Cb -0.18 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2yuj s VAL 109 CO 0.17 -0.39 -0.17 -1.61 0.00 0.00 0.00 175.10 173.09 2yuj s GLU 110 N 1.29 1.97 -0.51 2.72 2.02 -1.24 -3.01 118.70 121.94 2yuj s GLU 110 Ca 0.02 -0.62 -0.27 0.00 0.02 0.00 0.00 54.97 54.11 2yuj s GLU 110 Cb -0.21 -1.65 0.03 0.00 0.10 0.00 0.00 34.13 32.40 2yuj s GLU 110 CO -0.01 0.20 1.08 -1.54 0.02 0.00 0.00 175.26 175.01 2yuj s SER 111 N 0.19 6.52 0.20 -0.19 1.04 -1.17 -0.08 113.70 120.22 2yuj s SER 111 Ca -0.08 0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.63 2yuj s SER 111 Cb -0.13 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2yuj s SER 111 CO 0.03 -1.26 0.01 0.68 0.98 0.00 0.00 173.24 173.68 2yuj s VAL 112 N 4.37 3.68 -0.26 5.02 -7.23 -1.17 -4.80 120.40 120.00 2yuj s VAL 112 Ca 0.42 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2yuj s VAL 112 Cb -0.08 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2yuj s VAL 112 CO 0.28 -0.19 0.06 0.21 -0.31 0.00 0.00 175.10 175.15 2yuj s ASN 113 N -3.16 5.03 0.23 4.85 3.84 -1.26 -4.37 114.94 120.10 2yuj s ASN 113 Ca 0.29 -0.42 0.11 0.00 0.21 0.00 0.00 52.86 53.05 2yuj s ASN 113 Cb -0.08 -1.89 -0.05 0.00 -0.55 0.00 0.00 41.25 38.68 2yuj s ASN 113 CO 0.19 -0.09 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.48 2yuj s LEU 114 N 1.56 2.69 0.41 3.21 1.43 -1.26 -5.08 118.68 121.64 2yuj s LEU 114 Ca 0.05 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 2yuj s LEU 114 Cb -0.16 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2yuj s LEU 114 CO 0.02 0.07 0.30 -1.10 0.23 0.00 0.00 176.35 175.87 2yuj s GLN 115 N -3.14 2.42 0.34 1.70 1.11 -1.26 -4.43 119.66 116.39 2yuj s GLN 115 Ca 0.26 -1.65 -0.29 0.00 0.01 0.00 0.00 55.36 53.70 2yuj s GLN 115 Cb -0.07 -2.23 -0.11 0.00 -1.01 0.00 0.00 33.01 29.60 2yuj s GLN 115 CO 0.14 -0.16 1.37 0.14 0.01 0.00 0.00 175.29 176.79 2yuj s VAL 116 N -2.52 2.51 0.42 1.09 -7.23 -1.21 -0.83 120.40 112.63 2yuj s VAL 116 Ca 0.45 0.51 -0.22 0.00 -1.81 0.00 0.00 61.98 60.91 2yuj s VAL 116 Cb -0.01 -3.32 -0.11 0.00 0.56 0.00 0.00 36.38 33.50 2yuj s VAL 116 CO 0.26 0.12 0.95 0.00 -0.31 0.00 0.00 175.10 176.12 2yuj s ALA 117 N -1.09 3.05 -0.16 1.32 0.00 -1.26 -4.70 121.76 118.93 2yuj s ALA 117 Ca 0.50 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.92 2yuj s ALA 117 Cb -0.42 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 2yuj s ALA 117 CO 0.56 0.11 -0.10 0.25 0.00 0.00 0.00 175.76 176.58 2yuj n THR 118 N -0.51 0.93 -4.30 0.00 -2.24 -1.07 -4.56 114.28 102.52 2yuj n THR 118 Ca 0.07 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.18 2yuj n THR 118 Cb 0.53 -0.99 -0.17 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.33 1.61 -0.01 4.78 5.04 -1.26 -0.44 117.35 124.75 2yuj s TYR 119 Ca -0.19 -0.72 0.04 0.00 -2.44 0.00 0.00 57.07 53.76 2yuj s TYR 119 Cb 0.05 -1.23 -0.01 0.00 0.35 0.00 0.00 41.96 41.13 2yuj s TYR 119 CO 0.41 -0.42 -0.13 -1.54 -1.34 0.00 0.00 175.55 172.53 2yuj s SER 120 N 1.12 1.57 -0.08 4.32 1.04 0.15 -0.13 113.70 121.69 2yuj s SER 120 Ca -0.05 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2yuj s SER 120 Cb -0.14 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.83 2yuj s SER 120 CO -0.02 0.16 -0.07 -0.75 0.98 0.00 0.00 173.24 173.54 2yuj s LYS 121 N -0.35 1.29 0.07 4.02 2.20 0.29 0.09 119.74 127.35 2yuj s LYS 121 Ca 0.05 -0.22 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2yuj s LYS 121 Cb -0.05 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.96 2yuj s LYS 121 CO -0.00 -0.13 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.68 2yuj s PHE 122 N 1.22 2.72 -0.40 4.03 0.40 -1.14 0.50 117.98 125.30 2yuj s PHE 122 Ca -0.05 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2yuj s PHE 122 Cb -0.14 -1.47 0.13 0.00 0.51 0.00 0.00 43.02 42.05 2yuj s PHE 122 CO -0.02 0.37 0.20 -1.14 0.70 0.00 0.00 175.22 175.33 2yuj s GLN 123 N -1.86 1.08 -0.27 0.44 0.74 0.69 -1.61 119.66 118.87 2yuj s GLN 123 Ca 0.19 -1.72 -0.37 0.00 0.05 0.00 0.00 55.36 53.50 2yuj s GLN 123 Cb -0.11 -2.17 -0.14 0.00 1.10 0.00 0.00 33.01 31.70 2yuj s GLN 123 CO 0.10 -1.12 1.93 -2.30 -0.55 0.00 0.00 175.29 173.35 2yuj n PRO 124 N 3.91 1.31 0.10 1.67 -0.02 -1.26 -2.68 135.00 138.03 2yuj n PRO 124 Ca 0.06 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 2yuj n PRO 124 Cb 0.37 -2.31 0.09 0.00 -0.02 0.00 0.00 33.50 31.63 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 9.33 0.12 -6.16 -0.52 1.08 -1.86 -3.45 115.11 113.65 2yuj h GLN 125 Ca -0.40 -0.10 -0.65 0.00 -1.45 0.00 0.00 58.65 56.05 2yuj h GLN 125 Cb 1.31 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.65 2yuj h GLN 125 CO 0.98 0.77 -0.62 -1.12 -0.95 0.00 0.00 178.83 177.88 2yuj s SER 126 N -6.87 5.30 0.25 1.46 0.01 -1.22 -5.01 113.70 107.63 2yuj s SER 126 Ca -0.02 -0.01 0.24 0.00 1.31 0.00 0.00 55.95 57.47 2yuj s SER 126 Cb 0.12 -1.40 0.95 0.00 0.21 0.00 0.00 66.02 65.89 2yuj s SER 126 CO 0.79 0.24 1.73 -0.81 0.41 0.00 0.00 173.24 175.60 2yuj n PRO 127 N 1.00 0.21 -0.37 12.44 -0.04 -1.26 -3.28 135.00 143.71 2yuj n PRO 127 Ca -0.12 0.38 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2yuj n PRO 127 Cb 0.52 -1.86 0.18 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.03 -0.12 3.54 5.19 -1.96 -0.60 116.42 123.49 2yuj h ASP 128 Ca 0.00 0.01 -0.19 0.00 -0.62 0.00 0.00 57.03 56.24 2yuj h ASP 128 Cb 0.45 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2yuj h ASP 128 CO 0.00 0.64 -0.61 0.15 -3.12 0.00 0.00 179.24 176.30 2yuj h PHE 129 N 1.16 0.94 -0.13 4.55 3.57 -1.91 -3.09 116.94 122.02 2yuj h PHE 129 Ca 0.44 -0.36 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2yuj h PHE 129 Cb 0.20 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2yuj h PHE 129 CO -0.00 1.15 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.98 2yuj h LEU 130 N 0.54 0.20 -2.14 0.59 3.38 -1.51 -2.12 115.31 114.26 2yuj h LEU 130 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2yuj h LEU 130 Cb 1.20 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2yuj h LEU 130 CO 0.12 0.40 -0.07 -0.78 0.09 0.00 0.00 178.44 178.20 2yuj h ASP 131 N 0.20 0.00 -3.43 -0.43 3.58 -1.05 -3.43 116.42 111.87 2yuj h ASP 131 Ca 0.04 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.96 2yuj h ASP 131 Cb 0.44 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.54 2yuj h ASP 131 CO 0.03 0.07 0.73 -0.63 -2.88 0.00 0.00 179.24 176.56 2yuj s ILE 132 N -4.46 2.73 0.22 2.25 1.01 -0.80 -4.92 121.20 117.24 2yuj s ILE 132 Ca -0.04 0.62 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 2yuj s ILE 132 Cb 0.14 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 39.27 2yuj s ILE 132 CO 0.58 0.10 1.66 0.00 0.00 0.00 0.00 174.94 177.28 2yuj h THR 133 N 3.52 1.26 -2.73 2.92 1.03 -1.87 -3.33 112.91 113.71 2yuj h THR 133 Ca -0.46 -1.23 -0.62 0.00 -0.01 0.00 0.00 66.41 64.09 2yuj h THR 133 Cb 1.22 1.06 -0.41 0.00 -1.07 0.00 0.00 68.15 68.95 2yuj h THR 133 CO 0.77 0.42 -0.52 0.59 -0.01 0.00 0.00 175.52 176.76 2yuj n ASN 134 N -4.15 3.48 0.14 0.00 4.13 -1.26 -4.90 115.26 112.71 2yuj n ASN 134 Ca 0.01 -3.31 -0.01 0.00 1.68 0.00 0.00 54.58 52.95 2yuj n ASN 134 Cb 0.39 -0.75 0.21 0.00 -1.54 0.00 0.00 39.78 38.09 2yuj n ASN 134 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2yuj h PRO 135 N 4.92 0.02 -0.42 3.52 0.13 -1.84 -2.96 132.00 135.38 2yuj h PRO 135 Ca 0.17 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 2yuj h PRO 135 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2yuj h PRO 135 CO 0.79 0.58 -0.13 -0.22 -0.23 0.00 0.00 178.00 178.79 2yuj h LYS 136 N 0.02 0.75 -0.20 0.86 3.11 -1.94 -1.49 116.57 117.69 2yuj h LYS 136 Ca -0.00 -0.25 -0.10 0.00 -2.81 0.00 0.00 60.65 57.48 2yuj h LYS 136 Cb 0.99 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2yuj h LYS 136 CO 0.07 0.85 -0.26 0.00 -2.81 0.00 0.00 179.45 177.30 2yuj h ALA 137 N 1.18 0.29 -0.43 5.00 0.00 -1.96 -1.01 119.26 122.34 2yuj h ALA 137 Ca 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2yuj h ALA 137 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2yuj h ALA 137 CO 0.04 0.28 0.18 0.28 0.00 0.00 0.00 179.25 180.03 2yuj h VAL 138 N 0.19 1.20 -0.07 0.00 2.07 -1.44 -0.04 116.25 118.16 2yuj h VAL 138 Ca 0.02 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2yuj h VAL 138 Cb 0.83 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2yuj h VAL 138 CO 0.06 0.22 -0.44 0.25 0.02 0.00 0.00 177.57 177.68 2yuj h LEU 139 N 0.55 0.16 -0.53 2.57 5.85 -1.30 -1.49 115.31 121.13 2yuj h LEU 139 Ca 0.14 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2yuj h LEU 139 Cb 0.17 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2yuj h LEU 139 CO -0.01 0.59 -0.72 -0.33 -0.34 0.00 0.00 178.44 177.62 2yuj h GLU 140 N 0.13 0.11 0.08 1.25 5.08 -0.83 -2.12 114.58 118.28 2yuj h GLU 140 Ca 0.01 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 2yuj h GLU 140 Cb 0.84 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2yuj h GLU 140 CO 0.06 0.78 -1.12 -0.91 -1.00 0.00 0.00 179.01 176.83 2yuj h ASN 141 N 0.07 0.38 0.19 1.42 2.35 -0.78 -3.29 115.58 115.92 2yuj h ASN 141 Ca -0.02 -0.37 -0.19 0.00 -0.55 0.00 0.00 56.30 55.18 2yuj h ASN 141 Cb 1.27 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.52 2yuj h ASN 141 CO 0.10 1.25 -0.72 0.00 -1.65 0.00 0.00 177.43 176.42 2yuj h ALA 142 N 0.70 0.57 -0.02 -0.83 0.00 -1.27 -3.05 119.26 115.38 2yuj h ALA 142 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2yuj h ALA 142 Cb 1.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2yuj h ALA 142 CO 0.18 0.74 0.02 -0.07 0.00 0.00 0.00 179.25 180.12 2yuj h LEU 143 N 0.32 0.00 -1.94 0.00 3.38 -1.45 -1.64 115.31 113.98 2yuj h LEU 143 Ca -0.03 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2yuj h LEU 143 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2yuj h LEU 143 CO 0.13 0.00 0.35 0.03 0.09 0.00 0.00 178.44 179.04 2yuj h ARG 144 N 0.00 0.06 0.03 1.13 3.08 -1.61 -0.00 114.38 117.07 2yuj h ARG 144 Ca 0.01 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2yuj h ARG 144 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2yuj h ARG 144 CO -0.00 0.04 -1.21 -0.91 -1.07 0.00 0.00 179.97 176.82 2yuj h ASN 145 N 0.06 0.09 -3.85 7.04 2.35 -1.49 -3.46 115.58 116.32 2yuj h ASN 145 Ca 0.23 -0.11 -0.51 0.00 -0.55 0.00 0.00 56.30 55.36 2yuj h ASN 145 Cb 0.85 -0.03 0.04 0.00 0.05 0.00 0.00 38.32 39.23 2yuj h ASN 145 CO -0.02 1.09 0.54 -0.36 -1.65 0.00 0.00 177.43 177.03 2yuj s PHE 146 N -2.67 3.33 -0.18 1.19 0.08 -0.02 -3.64 117.98 116.07 2yuj s PHE 146 Ca -0.02 1.58 0.17 0.00 0.12 0.00 0.00 56.93 58.79 2yuj s PHE 146 Cb 0.09 -3.44 -0.24 0.00 -0.57 0.00 0.00 43.02 38.86 2yuj s PHE 146 CO 0.83 -1.11 0.08 0.00 -0.10 0.00 0.00 175.22 174.93 2yuj n ALA 147 N 0.91 1.58 -2.76 5.36 0.00 -1.26 -4.87 120.51 119.46 2yuj n ALA 147 Ca -0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.11 2yuj n ALA 147 Cb 0.44 -0.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.60 2.29 0.07 0.00 1.43 -1.06 -4.93 118.68 113.88 2yuj s LEU 149 Ca 0.01 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 2yuj s LEU 149 Cb 0.02 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.95 2yuj s LEU 149 CO -0.09 -0.19 -0.17 -0.89 0.23 0.00 0.00 176.35 175.25 2yuj s THR 150 N -1.55 1.34 -0.65 5.49 2.01 -1.24 -2.57 115.64 118.48 2yuj s THR 150 Ca -0.06 -1.29 -0.27 0.00 0.31 0.00 0.00 61.69 60.38 2yuj s THR 150 Cb -0.09 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.20 2yuj s THR 150 CO 0.01 -0.08 1.48 -0.89 -0.69 0.00 0.00 174.62 174.45 2yuj s THR 151 N -1.10 3.64 0.00 -0.82 2.01 -1.20 -3.53 115.64 114.65 2yuj s THR 151 Ca 0.02 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2yuj s THR 151 Cb -0.09 -4.49 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2yuj s THR 151 CO 0.03 -1.37 0.00 0.61 -0.69 0.00 0.00 174.62 173.19 2yuj n GLY 152 N 5.43 0.66 2.78 4.40 0.00 -1.10 -5.04 105.19 112.31 2yuj n GLY 152 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.04 2.34 -0.67 1.61 1.01 -1.23 -4.98 116.67 113.71 2yuj s ASP 153 Ca 0.00 -0.48 -0.26 0.00 0.71 0.00 0.00 52.55 52.51 2yuj s ASP 153 Cb 0.00 -0.59 -0.01 0.00 1.01 0.00 0.00 42.92 43.34 2yuj s ASP 153 CO 0.00 -0.24 1.71 -0.69 0.21 0.00 0.00 175.17 176.17 2yuj s VAL 154 N 1.87 3.46 0.00 -1.27 1.01 -1.26 -3.55 120.40 120.66 2yuj s VAL 154 Ca 0.02 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2yuj s VAL 154 Cb -0.15 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2yuj s VAL 154 CO -0.07 -1.17 0.28 0.27 0.00 0.00 0.00 175.10 174.41 2yuj s ILE 155 N 8.22 5.28 0.10 2.22 -4.36 0.53 -4.77 121.20 128.43 2yuj s ILE 155 Ca 0.59 0.24 0.05 0.00 -0.26 0.00 0.00 60.65 61.27 2yuj s ILE 155 Cb -0.11 -3.57 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 2yuj s ILE 155 CO 0.17 0.40 0.03 0.00 0.24 0.00 0.00 174.94 175.78 2yuj s ALA 156 N -1.27 3.37 -0.02 2.27 0.00 -1.26 -1.85 121.76 123.00 2yuj s ALA 156 Ca 0.27 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 2yuj s ALA 156 Cb -0.13 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2yuj s ALA 156 CO 0.15 0.68 0.04 0.96 0.00 0.00 0.00 175.76 177.59 2yuj s ILE 157 N -1.39 -0.00 0.16 0.00 -4.36 -0.91 -4.66 121.20 110.04 2yuj s ILE 157 Ca 0.27 0.01 0.07 0.00 -0.26 0.00 0.00 60.65 60.74 2yuj s ILE 157 Cb -0.11 -0.07 -0.04 0.00 1.25 0.00 0.00 42.46 43.48 2yuj s ILE 157 CO 0.20 0.00 -0.15 0.21 0.24 0.00 0.00 174.94 175.44 2yuj s ASN 158 N 0.07 2.36 0.00 4.36 3.84 -1.26 -0.09 114.94 124.22 2yuj s ASN 158 Ca -0.00 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 52.17 2yuj s ASN 158 Cb -0.01 -0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.58 2yuj s ASN 158 CO -0.00 -0.13 0.00 0.00 -2.79 0.00 0.00 177.10 174.18 2yuj n TYR 159 N 0.16 -0.23 -1.59 0.43 4.11 -1.26 -4.97 117.16 113.81 2yuj n TYR 159 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.43 2yuj n TYR 159 Cb 0.58 0.05 0.06 0.00 -0.00 0.00 0.00 39.34 40.03 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 -1.63 7.25 -2.45 9.48 5.15 -1.26 -4.83 115.26 126.96 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 -0.91 -0.00 0.00 -0.53 0.00 0.00 39.78 38.34 2yuj n ASN 160 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2yuj n GLU 161 N -0.79 -2.27 -3.68 1.20 2.13 -1.26 -4.97 120.64 111.00 2yuj n GLU 161 Ca 0.58 0.97 -0.10 0.00 0.66 0.00 0.00 57.16 59.27 2yuj n GLU 161 Cb 0.60 -5.64 -0.10 0.00 0.27 0.00 0.00 31.44 26.57 2yuj n GLU 161 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2yuj s LYS 162 N -5.15 0.38 -0.65 5.31 3.01 -1.26 -5.11 119.74 116.27 2yuj s LYS 162 Ca 0.06 0.90 -0.23 0.00 -1.01 0.00 0.00 55.97 55.68 2yuj s LYS 162 Cb -0.03 0.11 0.06 0.00 -1.01 0.00 0.00 37.83 36.96 2yuj s LYS 162 CO 0.07 -0.19 0.99 0.42 0.51 0.00 0.00 175.35 177.16 2yuj s ILE 163 N 1.85 4.27 -0.13 2.17 1.09 -1.26 -4.07 121.20 125.12 2yuj s ILE 163 Ca -0.07 -0.16 -0.29 0.00 -1.10 0.00 0.00 60.65 59.03 2yuj s ILE 163 Cb -0.10 -4.68 -0.01 0.00 -1.06 0.00 0.00 42.46 36.61 2yuj s ILE 163 CO -0.13 -1.44 1.05 -0.31 -0.10 0.00 0.00 174.94 174.02 2yuj s TYR 164 N 4.22 3.40 -0.05 3.97 1.51 0.87 -4.80 117.35 126.47 2yuj s TYR 164 Ca 0.25 1.49 -0.22 0.00 -1.01 0.00 0.00 57.07 57.58 2yuj s TYR 164 Cb -0.15 -3.25 -0.04 0.00 -0.11 0.00 0.00 41.96 38.40 2yuj s TYR 164 CO 0.12 -0.50 0.66 -1.21 -1.11 0.00 0.00 175.55 173.52 2yuj s GLU 165 N 2.37 4.41 -0.01 -0.62 0.41 -1.26 -2.13 118.70 121.87 2yuj s GLU 165 Ca 0.49 0.82 -0.05 0.00 -0.41 0.00 0.00 54.97 55.81 2yuj s GLU 165 Cb -0.19 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 2yuj s GLU 165 CO 0.16 0.16 0.11 -0.51 -0.49 0.00 0.00 175.26 174.69 2yuj s LEU 166 N 0.49 1.65 -0.09 1.80 1.43 -0.77 -2.90 118.68 120.29 2yuj s LEU 166 Ca 0.35 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2yuj s LEU 166 Cb -0.18 0.52 0.01 0.00 0.03 0.00 0.00 46.19 46.58 2yuj s LEU 166 CO 0.18 -0.27 -0.14 -0.60 0.23 0.00 0.00 176.35 175.74 2yuj s ARG 167 N -1.02 1.95 0.14 1.70 3.52 -1.09 -0.34 118.95 123.81 2yuj s ARG 167 Ca -0.11 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 54.70 2yuj s ARG 167 Cb -0.06 -1.64 -0.08 0.00 -1.56 0.00 0.00 34.95 31.61 2yuj s ARG 167 CO 0.01 -0.01 1.32 0.08 -0.81 0.00 0.00 175.30 175.89 2yuj s VAL 168 N 0.83 3.38 -0.16 7.11 1.01 -1.23 -0.22 120.40 131.11 2yuj s VAL 168 Ca -0.11 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2yuj s VAL 168 Cb -0.15 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 2yuj s VAL 168 CO 0.02 0.11 0.08 0.24 0.00 0.00 0.00 175.10 175.55 2yuj h MET 169 N 6.18 0.00 -3.91 2.72 2.86 -0.26 -2.92 114.93 119.60 2yuj h MET 169 Ca -0.43 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.12 2yuj h MET 169 Cb 1.21 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.73 2yuj h MET 169 CO 0.82 0.44 -0.45 -2.00 1.06 0.00 0.00 176.91 176.78 2yuj s GLU 170 N -2.18 0.79 -0.30 1.72 2.56 -1.09 -4.60 118.70 115.59 2yuj s GLU 170 Ca -0.18 -1.02 -0.09 0.00 0.00 0.00 0.00 54.97 53.68 2yuj s GLU 170 Cb 0.03 0.31 0.14 0.00 2.00 0.00 0.00 34.13 36.60 2yuj s GLU 170 CO 0.36 -0.23 0.65 0.95 -0.56 0.00 0.00 175.26 176.43 2yuj s THR 171 N -3.88 -1.00 0.22 -1.70 -4.23 -1.26 -0.55 115.64 103.25 2yuj s THR 171 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2yuj s THR 171 Cb 0.06 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2yuj s THR 171 CO -0.11 0.00 0.41 -0.54 -0.54 0.00 0.00 174.62 173.84 2yuj s LYS 172 N 2.89 3.51 0.01 3.99 1.02 0.82 -3.83 119.74 128.15 2yuj s LYS 172 Ca -0.04 -0.38 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 2yuj s LYS 172 Cb -0.12 -2.82 -0.26 0.00 -0.52 0.00 0.00 37.83 34.11 2yuj s LYS 172 CO -0.19 0.37 1.07 -1.00 -0.92 0.00 0.00 175.35 174.68 2yuj h PRO 173 N 1.76 0.46 -6.13 -1.68 0.13 -1.88 -2.83 132.00 121.82 2yuj h PRO 173 Ca -0.49 -0.55 -0.53 0.00 -0.87 0.00 0.00 66.00 63.56 2yuj h PRO 173 Cb 1.20 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2yuj h PRO 173 CO 0.66 1.20 -0.31 -0.51 -0.23 0.00 0.00 178.00 178.81 2yuj s ASP 174 N -6.96 4.88 0.12 1.44 1.11 -1.25 -5.04 116.67 110.97 2yuj s ASP 174 Ca -0.12 -0.96 -0.20 0.00 0.18 0.00 0.00 52.55 51.44 2yuj s ASP 174 Cb 0.04 -0.07 -0.07 0.00 1.07 0.00 0.00 42.92 43.89 2yuj s ASP 174 CO 0.85 -0.92 1.75 0.07 1.18 0.00 0.00 175.17 178.11 2yuj h LYS 175 N 0.82 0.15 -5.31 8.23 2.10 -1.92 -3.39 116.57 117.25 2yuj h LYS 175 Ca -0.38 -0.01 -0.65 0.00 -2.00 0.00 0.00 60.65 57.61 2yuj h LYS 175 Cb 1.28 -0.03 -0.15 0.00 -0.90 0.00 0.00 32.23 32.43 2yuj h LYS 175 CO 0.55 0.10 0.03 0.00 -2.00 0.00 0.00 179.45 178.14 2yuj s ALA 176 N -6.18 3.43 -0.01 0.07 0.00 -1.25 -3.25 121.76 114.57 2yuj s ALA 176 Ca -0.13 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.79 2yuj s ALA 176 Cb 0.08 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2yuj s ALA 176 CO 0.68 -1.44 -0.13 0.14 0.00 0.00 0.00 175.76 175.00 2yuj s VAL 177 N 2.57 1.07 -0.67 0.00 -7.23 -1.06 -4.64 120.40 110.44 2yuj s VAL 177 Ca 0.21 -0.57 -0.20 0.00 -1.81 0.00 0.00 61.98 59.60 2yuj s VAL 177 Cb -0.15 -0.90 0.10 0.00 0.56 0.00 0.00 36.38 35.99 2yuj s VAL 177 CO 0.15 0.31 0.86 -0.55 -0.31 0.00 0.00 175.10 175.56 2yuj s SER 178 N -0.25 6.26 -1.19 4.85 0.15 -0.01 -2.56 113.70 120.94 2yuj s SER 178 Ca 0.04 -1.40 -0.13 0.00 0.70 0.00 0.00 55.95 55.15 2yuj s SER 178 Cb -0.06 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 62.08 2yuj s SER 178 CO -0.00 -1.21 1.39 0.27 1.20 0.00 0.00 173.24 174.89 2yuj s ILE 179 N 3.10 5.15 -0.86 6.45 -4.36 -1.08 -3.30 121.20 126.29 2yuj s ILE 179 Ca 0.18 -2.72 -0.04 0.00 -0.26 0.00 0.00 60.65 57.81 2yuj s ILE 179 Cb -0.18 -4.87 0.21 0.00 1.25 0.00 0.00 42.46 38.87 2yuj s ILE 179 CO 0.05 -1.57 0.75 -0.63 0.24 0.00 0.00 174.94 173.78 2yuj s ILE 180 N 1.25 4.58 -0.45 8.37 1.01 -1.26 -4.74 121.20 129.96 2yuj s ILE 180 Ca 0.41 -3.45 -0.13 0.00 0.00 0.00 0.00 60.65 57.48 2yuj s ILE 180 Cb -0.04 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2yuj s ILE 180 CO -0.01 -1.05 0.58 -0.62 0.00 0.00 0.00 174.94 173.85 2yuj n GLU 181 N 2.82 -2.15 -3.68 2.79 -0.58 -1.26 -5.06 120.64 113.52 2yuj n GLU 181 Ca 0.18 1.98 -0.15 0.00 -0.42 0.00 0.00 57.16 58.75 2yuj n GLU 181 Cb 0.39 -5.50 -0.08 0.00 -0.57 0.00 0.00 31.44 25.67 2yuj n GLU 181 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yuj s ASP 183 N -1.03 6.87 0.03 0.00 -4.77 -1.26 -5.04 116.67 111.48 2yuj s ASP 183 Ca -0.11 1.07 -0.06 0.00 -3.30 0.00 0.00 52.55 50.16 2yuj s ASP 183 Cb -0.03 -2.43 -0.01 0.00 -1.09 0.00 0.00 42.92 39.35 2yuj s ASP 183 CO 0.05 -0.44 0.11 0.00 0.70 0.00 0.00 175.17 175.59 2yuj s MET 184 N 2.45 0.58 -0.18 2.11 0.23 -1.26 -4.88 119.30 118.35 2yuj s MET 184 Ca 0.36 -0.69 -0.29 0.00 -1.03 0.00 0.00 55.69 54.04 2yuj s MET 184 Cb -0.16 0.23 -0.01 0.00 -1.53 0.00 0.00 34.83 33.36 2yuj s MET 184 CO 0.10 -0.15 1.28 -0.80 -2.03 0.00 0.00 175.02 173.42 2yuj s ASN 185 N -2.00 6.90 -0.38 -1.18 0.02 0.42 -4.94 114.94 113.78 2yuj s ASN 185 Ca -0.07 1.63 -0.10 0.00 -1.02 0.00 0.00 52.86 53.30 2yuj s ASN 185 Cb -0.02 -2.54 0.04 0.00 0.02 0.00 0.00 41.25 38.74 2yuj s ASN 185 CO -0.04 -0.81 0.20 -0.69 0.02 0.00 0.00 177.10 175.79 2yuj s VAL 186 N 3.65 4.46 0.49 1.60 1.01 -1.26 -0.68 120.40 129.68 2yuj s VAL 186 Ca 0.55 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2yuj s VAL 186 Cb -0.21 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2yuj s VAL 186 CO 0.16 -0.27 0.69 -0.62 0.00 0.00 0.00 175.10 175.06 2yuj s ASP 187 N 1.60 5.45 -0.19 3.32 2.15 0.11 -5.00 116.67 124.11 2yuj s ASP 187 Ca 0.02 -0.15 -0.05 0.00 0.43 0.00 0.00 52.55 52.80 2yuj s ASP 187 Cb -0.20 -0.83 0.08 0.00 -0.30 0.00 0.00 42.92 41.66 2yuj s ASP 187 CO 0.06 -0.97 0.15 -0.36 -0.17 0.00 0.00 175.17 173.87 2yuj s PHE 188 N -2.59 0.00 -0.37 -5.34 0.08 -1.26 -2.89 117.98 105.61 2yuj s PHE 188 Ca 0.56 -0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.45 2yuj s PHE 188 Cb -0.10 -0.56 0.08 0.00 -0.57 0.00 0.00 43.02 41.86 2yuj s PHE 188 CO 0.36 -0.56 0.14 0.34 -0.10 0.00 0.00 175.22 175.40 2yuj s ASP 189 N 2.21 5.22 0.00 1.36 -1.08 -0.63 -4.99 116.67 118.77 2yuj s ASP 189 Ca 0.04 -1.60 0.00 0.00 -0.52 0.00 0.00 52.55 50.47 2yuj s ASP 189 Cb -0.16 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.47 2yuj s ASP 189 CO -0.11 -0.43 0.21 0.00 0.52 0.00 0.00 175.17 175.36