#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuj n SER 2 N 0.00 -7.82 -2.64 1.61 7.64 -1.26 -4.98 113.62 106.17 2yuj n SER 2 Ca 0.00 1.71 -0.04 0.00 1.01 0.00 0.00 58.87 61.55 2yuj n SER 2 Cb 0.00 -4.60 -0.03 0.00 -1.01 0.00 0.00 64.21 58.56 2yuj n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuj n SER 3 N -2.46 -2.80 -3.43 6.43 7.64 -1.26 -5.02 113.62 112.73 2yuj n SER 3 Ca 0.00 1.38 -0.21 0.00 1.01 0.00 0.00 58.87 61.05 2yuj n SER 3 Cb 0.43 -5.30 0.15 0.00 -1.01 0.00 0.00 64.21 58.48 2yuj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuj n GLY 4 N 1.40 -1.27 2.69 0.23 0.00 -1.26 -4.80 105.19 102.19 2yuj n GLY 4 Ca -0.29 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 2yuj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuj n SER 5 N -3.58 -7.86 -4.88 1.61 2.88 -1.26 -5.03 113.62 95.50 2yuj n SER 5 Ca 0.12 1.30 -0.23 0.00 -1.33 0.00 0.00 58.87 58.73 2yuj n SER 5 Cb 0.42 -5.23 -0.04 0.00 -0.75 0.00 0.00 64.21 58.61 2yuj n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuj s SER 6 N -1.70 5.88 0.00 -3.46 0.01 -1.26 -5.12 113.70 108.04 2yuj s SER 6 Ca 0.03 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2yuj s SER 6 Cb -0.01 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2yuj s SER 6 CO 0.76 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.02 2yuj n GLY 7 N -0.93 4.32 2.92 3.44 0.00 -1.26 -5.16 105.19 108.53 2yuj n GLY 7 Ca -0.08 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.08 2yuj n GLY 7 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yuj s ILE 8 N 3.46 -0.17 0.53 -0.61 2.07 -1.26 -5.15 121.20 120.07 2yuj s ILE 8 Ca 0.00 0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 59.29 2yuj s ILE 8 Cb 0.00 -0.30 -0.06 0.00 0.13 0.00 0.00 42.46 42.23 2yuj s ILE 8 CO 0.00 0.10 1.13 -2.16 -1.91 0.00 0.00 174.94 172.11 2yuj s PRO 9 N 1.73 3.41 -0.25 3.50 0.04 -1.26 -4.97 135.00 137.20 2yuj s PRO 9 Ca -0.04 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.73 2yuj s PRO 9 Cb -0.12 -2.06 0.45 0.00 0.04 0.00 0.00 34.50 32.81 2yuj s PRO 9 CO -0.07 -0.81 1.29 0.54 0.04 0.00 0.00 177.00 178.00 2yuj n ARG 10 N -1.19 1.91 -2.53 4.56 5.12 -1.26 -5.05 116.66 118.22 2yuj n ARG 10 Ca 0.11 -3.39 -0.34 0.00 -1.93 0.00 0.00 57.85 52.30 2yuj n ARG 10 Cb 0.51 -1.76 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 2yuj n ARG 10 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2yuj s VAL 11 N -3.43 3.74 -0.47 1.55 -7.23 -1.26 -4.96 120.40 108.35 2yuj s VAL 11 Ca 0.42 1.10 0.03 0.00 -1.81 0.00 0.00 61.98 61.71 2yuj s VAL 11 Cb 0.39 -3.45 0.62 0.00 0.56 0.00 0.00 36.38 34.50 2yuj s VAL 11 CO -0.04 -0.22 1.91 2.22 -0.31 0.00 0.00 175.10 178.66 2yuj n PHE 12 N -0.95 3.02 -0.04 2.82 1.16 -1.26 -4.45 117.46 117.76 2yuj n PHE 12 Ca 0.09 -1.97 -0.06 0.00 -1.87 0.00 0.00 57.45 53.65 2yuj n PHE 12 Cb 0.52 -1.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.38 2yuj n PHE 12 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2yuj n GLN 13 N -1.07 0.34 -1.43 3.97 3.00 -1.26 -5.03 117.38 115.89 2yuj n GLN 13 Ca 0.59 0.13 0.19 0.00 -0.01 0.00 0.00 57.00 57.90 2yuj n GLN 13 Cb 1.52 -1.09 -0.05 0.00 0.00 0.00 0.00 30.24 30.62 2yuj n GLN 13 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2yuj n ASN 14 N -4.09 -8.50 -4.01 1.08 4.13 -1.26 -4.75 115.26 97.86 2yuj n ASN 14 Ca -0.09 0.65 -0.24 0.00 1.68 0.00 0.00 54.58 56.58 2yuj n ASN 14 Cb 0.33 -4.37 -0.05 0.00 -1.54 0.00 0.00 39.78 34.15 2yuj n ASN 14 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2yuj n ARG 15 N -4.22 1.08 -2.70 3.52 1.74 -1.26 -4.89 116.66 109.93 2yuj n ARG 15 Ca 0.00 -2.78 -0.42 0.00 -0.77 0.00 0.00 57.85 53.88 2yuj n ARG 15 Cb 0.65 0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 32.81 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 -2.37 2.79 -0.26 -1.55 2.19 -1.26 -4.94 117.98 112.57 2yuj s PHE 16 Ca 0.00 -1.17 0.03 0.00 0.33 0.00 0.00 56.93 56.12 2yuj s PHE 16 Cb -0.00 -4.56 0.06 0.00 -1.31 0.00 0.00 43.02 37.22 2yuj s PHE 16 CO 0.00 -1.76 -0.08 -1.54 1.83 0.00 0.00 175.22 173.67 2yuj s SER 17 N 4.36 4.36 -0.13 6.13 1.04 -1.23 -2.99 113.70 125.24 2yuj s SER 17 Ca 0.43 -1.42 -0.34 0.00 0.48 0.00 0.00 55.95 55.10 2yuj s SER 17 Cb -0.01 -1.48 0.13 0.00 0.10 0.00 0.00 66.02 64.76 2yuj s SER 17 CO -0.07 -0.22 1.20 0.28 0.98 0.00 0.00 173.24 175.41 2yuj s THR 18 N 1.14 0.00 0.22 2.02 -1.32 -1.03 -5.00 115.64 111.67 2yuj s THR 18 Ca -0.07 -0.06 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 2yuj s THR 18 Cb -0.20 -1.23 -0.07 0.00 -1.51 0.00 0.00 72.50 69.49 2yuj s THR 18 CO -0.06 0.00 0.53 -1.10 -2.21 0.00 0.00 174.62 171.79 2yuj s GLN 19 N -2.49 3.78 -0.08 7.08 -0.21 -1.26 -1.00 119.66 125.48 2yuj s GLN 19 Ca 0.10 0.23 -0.06 0.00 0.02 0.00 0.00 55.36 55.65 2yuj s GLN 19 Cb 0.00 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.37 2yuj s GLN 19 CO -0.05 0.33 0.20 0.71 -2.12 0.00 0.00 175.29 174.36 2yuj s TYR 20 N -1.81 -0.23 0.35 0.91 2.02 -0.33 -4.90 117.35 113.36 2yuj s TYR 20 Ca 0.47 0.56 -0.27 0.00 -0.37 0.00 0.00 57.07 57.46 2yuj s TYR 20 Cb -0.11 0.04 -0.09 0.00 -0.40 0.00 0.00 41.96 41.40 2yuj s TYR 20 CO 0.22 -0.14 1.23 1.03 -1.57 0.00 0.00 175.55 176.33 2yuj s ARG 21 N 0.49 4.26 -0.16 -0.62 0.52 -1.21 -1.17 118.95 121.05 2yuj s ARG 21 Ca -0.03 2.04 -0.08 0.00 -0.52 0.00 0.00 55.73 57.14 2yuj s ARG 21 Cb -0.05 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 2yuj s ARG 21 CO -0.02 -0.21 0.11 0.00 0.02 0.00 0.00 175.30 175.20 2yuj s PHE 23 N -0.27 -0.28 0.30 0.00 0.08 -0.58 0.43 117.98 117.66 2yuj s PHE 23 Ca 0.10 0.69 -0.29 0.00 0.12 0.00 0.00 56.93 57.55 2yuj s PHE 23 Cb -0.12 0.09 -0.10 0.00 -0.57 0.00 0.00 43.02 42.32 2yuj s PHE 23 CO 0.01 -0.15 1.34 -1.54 -0.10 0.00 0.00 175.22 174.78 2yuj s SER 24 N 0.30 6.75 0.56 1.36 1.04 -1.26 -1.36 113.70 121.10 2yuj s SER 24 Ca -0.01 2.66 0.25 0.00 0.48 0.00 0.00 55.95 59.32 2yuj s SER 24 Cb -0.03 -2.64 1.59 0.00 0.10 0.00 0.00 66.02 65.04 2yuj s SER 24 CO -0.01 -0.57 2.19 -0.37 0.98 0.00 0.00 173.24 175.46 2yuj h VAL 25 N 3.22 0.70 -0.26 5.02 -1.51 -1.77 -1.33 116.25 120.32 2yuj h VAL 25 Ca -0.48 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.07 2yuj h VAL 25 Cb 1.22 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 2yuj h VAL 25 CO 0.69 0.00 0.23 -1.28 -1.23 0.00 0.00 177.57 175.98 2yuj h SER 26 N 0.00 0.00 -0.47 4.19 0.87 -1.90 -1.70 113.55 114.54 2yuj h SER 26 Ca 0.02 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2yuj h SER 26 Cb 0.10 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2yuj h SER 26 CO -0.00 0.00 0.25 0.24 -0.53 0.00 0.00 176.83 176.79 2yuj h MET 27 N 0.00 0.47 -6.98 2.24 2.07 -1.61 -3.42 114.93 107.69 2yuj h MET 27 Ca 0.12 -0.03 -0.54 0.00 -2.07 0.00 0.00 59.70 57.18 2yuj h MET 27 Cb 0.59 -0.11 0.12 0.00 -1.87 0.00 0.00 31.60 30.32 2yuj h MET 27 CO -0.00 0.31 0.70 -1.17 1.07 0.00 0.00 176.91 177.83 2yuj s LEU 28 N -10.25 4.13 0.50 1.22 2.96 -0.64 -5.02 118.68 111.58 2yuj s LEU 28 Ca -0.13 2.92 0.08 0.00 -0.22 0.00 0.00 54.13 56.78 2yuj s LEU 28 Cb 0.13 -3.91 0.04 0.00 0.50 0.00 0.00 46.19 42.95 2yuj s LEU 28 CO 0.73 -1.14 0.61 0.00 -1.32 0.00 0.00 176.35 175.23 2yuj s ALA 29 N -1.20 4.52 0.00 5.97 0.00 -1.26 -5.06 121.76 124.72 2yuj s ALA 29 Ca 0.60 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2yuj s ALA 29 Cb -0.44 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2yuj s ALA 29 CO 0.56 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.19 2yuj n GLY 30 N -1.95 4.55 0.37 0.00 0.00 -1.26 -4.96 105.19 101.93 2yuj n GLY 30 Ca 0.09 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 0.80 -5.51 1.61 0.11 -2.08 -3.39 132.00 123.54 2yuj h PRO 31 Ca 0.00 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.47 2yuj h PRO 31 Cb 0.00 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 30.83 2yuj h PRO 31 CO 0.00 0.53 -0.16 -0.80 -0.21 0.00 0.00 178.00 177.36 2yuj s ASN 32 N -5.65 6.51 -0.21 -2.05 0.01 -1.26 -4.96 114.94 107.32 2yuj s ASN 32 Ca -0.11 0.61 -0.14 0.00 -0.71 0.00 0.00 52.86 52.51 2yuj s ASN 32 Cb 0.23 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.55 2yuj s ASN 32 CO 0.80 -0.08 -0.32 -0.67 -1.51 0.00 0.00 177.10 175.32 2yuj n ASP 33 N 4.35 1.80 -1.50 -1.22 2.03 -1.26 -5.06 116.55 115.69 2yuj n ASP 33 Ca -0.07 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2yuj n ASP 33 Cb 0.51 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 2yuj n ASP 33 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yuj n ARG 34 N -4.22 -4.12 -0.01 -0.67 1.74 -1.26 -4.91 116.66 103.21 2yuj n ARG 34 Ca -0.35 3.13 0.04 0.00 -0.77 0.00 0.00 57.85 59.90 2yuj n ARG 34 Cb 0.70 -3.73 -0.07 0.00 -1.02 0.00 0.00 32.46 28.34 2yuj n ARG 34 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2yuj n SER 35 N -1.78 2.91 -0.26 0.55 7.64 -1.26 -4.58 113.62 116.84 2yuj n SER 35 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 2yuj n SER 35 Cb 0.24 1.34 0.40 0.00 -1.01 0.00 0.00 64.21 65.18 2yuj n SER 35 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2yuj h ASP 36 N 0.00 0.61 -0.77 6.43 3.32 -2.00 -0.02 116.42 123.99 2yuj h ASP 36 Ca -0.03 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2yuj h ASP 36 Cb 0.54 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2yuj h ASP 36 CO 0.00 0.30 0.35 0.58 -1.72 0.00 0.00 179.24 178.75 2yuj h VAL 37 N 0.64 1.25 -0.10 -1.35 2.07 -1.91 0.16 116.25 117.02 2yuj h VAL 37 Ca 0.45 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2yuj h VAL 37 Cb 0.79 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2yuj h VAL 37 CO -0.20 0.31 -0.37 -0.08 0.02 0.00 0.00 177.57 177.25 2yuj h GLU 38 N 1.12 0.20 0.05 1.57 4.22 -1.30 -3.18 114.58 117.26 2yuj h GLU 38 Ca 0.27 -0.09 -0.10 0.00 0.08 0.00 0.00 59.36 59.52 2yuj h GLU 38 Cb 0.16 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.41 2yuj h GLU 38 CO -0.03 0.55 -0.40 0.87 -2.18 0.00 0.00 179.01 177.82 2yuj h LYS 39 N 0.17 0.19 -7.23 1.92 1.57 -0.84 -3.39 116.57 108.96 2yuj h LYS 39 Ca 0.02 -0.27 -0.49 0.00 -1.87 0.00 0.00 60.65 58.04 2yuj h LYS 39 Cb 0.74 0.09 0.20 0.00 0.08 0.00 0.00 32.23 33.34 2yuj h LYS 39 CO 0.06 1.07 0.16 0.20 -0.57 0.00 0.00 179.45 180.36 2yuj s GLY 40 N -4.18 1.64 -0.39 3.86 0.00 0.51 -4.89 107.32 103.87 2yuj s GLY 40 Ca -0.16 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.00 2yuj s GLY 40 CO 0.77 0.89 1.75 0.61 0.00 0.00 0.00 173.10 177.11 2yuj n GLY 41 N 0.40 4.66 3.99 0.20 0.00 -1.15 -4.81 105.19 108.49 2yuj n GLY 41 Ca 0.09 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.29 2.24 0.16 1.61 3.01 -1.26 -3.69 119.74 118.53 2yuj s LYS 42 Ca 0.52 -1.09 -0.08 0.00 -1.01 0.00 0.00 55.97 54.32 2yuj s LYS 42 Cb 0.45 -2.49 -0.01 0.00 -1.01 0.00 0.00 37.83 34.77 2yuj s LYS 42 CO 0.07 -0.94 0.26 0.96 0.51 0.00 0.00 175.35 176.21 2yuj s ILE 43 N -2.83 0.07 -0.32 2.17 -4.36 -0.88 -4.23 121.20 110.81 2yuj s ILE 43 Ca 0.61 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 2yuj s ILE 43 Cb -0.08 -1.89 0.07 0.00 1.25 0.00 0.00 42.46 41.82 2yuj s ILE 43 CO 0.40 -0.30 0.03 -0.63 0.24 0.00 0.00 174.94 174.68 2yuj s ILE 44 N -3.98 2.74 0.30 8.37 1.01 -0.84 -1.77 121.20 127.03 2yuj s ILE 44 Ca 0.19 -1.76 0.03 0.00 0.00 0.00 0.00 60.65 59.11 2yuj s ILE 44 Cb 0.04 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2yuj s ILE 44 CO 0.01 -0.30 0.46 -0.04 0.00 0.00 0.00 174.94 175.06 2yuj s MET 45 N 1.13 3.42 1.00 2.79 -1.94 -1.12 -2.08 119.30 122.50 2yuj s MET 45 Ca -0.00 -0.59 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 2yuj s MET 45 Cb -0.20 -2.78 0.07 0.00 2.01 0.00 0.00 34.83 33.93 2yuj s MET 45 CO -0.04 0.26 0.36 -2.30 -0.01 0.00 0.00 175.02 173.30 2yuj n PRO 46 N -1.61 -0.72 0.22 2.03 -0.02 -1.26 -2.95 135.00 130.70 2yuj n PRO 46 Ca -0.06 -0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2yuj n PRO 46 Cb 0.57 -1.86 0.51 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.75 0.00 -0.19 0.52 0.13 -1.71 -2.88 132.00 126.12 2yuj h PRO 47 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2yuj h PRO 47 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2yuj h PRO 47 CO 0.36 0.25 0.13 1.03 -0.23 0.00 0.00 178.00 179.54 2yuj h SER 48 N 0.00 0.09 0.15 1.44 0.87 -1.90 -0.97 113.55 113.23 2yuj h SER 48 Ca -0.00 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2yuj h SER 48 Cb 0.61 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2yuj h SER 48 CO 0.03 0.06 -0.34 0.00 -0.53 0.00 0.00 176.83 176.05 2yuj h ALA 49 N 1.90 1.16 -0.32 6.23 0.00 -1.85 -1.41 119.26 124.97 2yuj h ALA 49 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yuj h ALA 49 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2yuj h ALA 49 CO -0.01 0.55 0.20 1.25 0.00 0.00 0.00 179.25 181.24 2yuj h LEU 50 N 0.25 0.37 0.01 0.00 5.85 -1.31 0.16 115.31 120.63 2yuj h LEU 50 Ca 0.03 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 2yuj h LEU 50 Cb 0.73 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2yuj h LEU 50 CO 0.06 0.28 -1.65 0.44 -0.34 0.00 0.00 178.44 177.23 2yuj h ASP 51 N 0.43 0.02 -0.26 1.25 3.32 -1.52 -3.37 116.42 116.30 2yuj h ASP 51 Ca 0.12 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 2yuj h ASP 51 Cb -0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2yuj h ASP 51 CO -0.02 1.04 -0.46 -0.61 -1.72 0.00 0.00 179.24 177.47 2yuj h GLN 52 N 0.00 0.76 -0.62 3.56 5.75 -0.73 -1.30 115.11 122.53 2yuj h GLN 52 Ca -0.26 -0.48 0.17 0.00 -0.15 0.00 0.00 58.65 57.93 2yuj h GLN 52 Cb 1.99 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 30.57 2yuj h GLN 52 CO 0.09 1.10 0.44 -0.07 -2.65 0.00 0.00 178.83 177.74 2yuj h LEU 53 N 0.50 0.08 0.00 -2.39 3.38 -0.85 0.26 115.31 116.29 2yuj h LEU 53 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 2yuj h LEU 53 Cb 1.06 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2yuj h LEU 53 CO 0.10 0.04 -1.75 -0.24 0.09 0.00 0.00 178.44 176.68 2yuj n SER 54 N -4.38 0.70 0.20 -0.43 2.88 -1.16 -2.21 113.62 109.22 2yuj n SER 54 Ca 0.12 0.33 0.09 0.00 -1.33 0.00 0.00 58.87 58.07 2yuj n SER 54 Cb 0.64 0.22 0.31 0.00 -0.75 0.00 0.00 64.21 64.63 2yuj n SER 54 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2yuj h ARG 55 N 0.00 0.00 -0.66 -1.46 2.47 0.16 -3.00 114.38 111.88 2yuj h ARG 55 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2yuj h ARG 55 Cb 1.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.23 2yuj h ARG 55 CO 0.06 0.24 0.00 1.28 0.56 0.00 0.00 179.97 182.11 2yuj n LEU 56 N -3.27 3.75 -2.77 3.04 4.77 0.74 -4.89 117.00 118.37 2yuj n LEU 56 Ca 0.01 -1.90 -0.19 0.00 -0.03 0.00 0.00 56.01 53.91 2yuj n LEU 56 Cb 0.52 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2yuj n LEU 56 CO 0.35 0.54 -0.12 0.59 -1.33 0.00 0.00 177.39 177.42 2yuj n ASN 57 N 0.55 -4.85 -4.92 -1.43 5.03 -1.13 -4.75 115.26 103.76 2yuj n ASN 57 Ca 0.18 -0.09 -0.28 0.00 0.87 0.00 0.00 54.58 55.25 2yuj n ASN 57 Cb 0.76 -4.01 -0.03 0.00 -1.02 0.00 0.00 39.78 35.47 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 -2.91 5.19 0.31 2.41 1.01 -0.94 -5.06 121.20 121.20 2yuj s ILE 58 Ca 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 2yuj s ILE 58 Cb -0.08 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2yuj s ILE 58 CO 0.20 -0.14 0.47 0.42 0.00 0.00 0.00 174.94 175.89 2yuj s THR 59 N -1.84 0.00 0.34 2.92 -4.23 -1.26 -4.56 115.64 107.01 2yuj s THR 59 Ca 0.39 -1.54 -0.29 0.00 -1.18 0.00 0.00 61.69 59.08 2yuj s THR 59 Cb -0.11 -2.52 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 2yuj s THR 59 CO 0.28 0.00 1.43 -0.47 -0.54 0.00 0.00 174.62 175.32 2yuj s TYR 60 N -3.37 2.82 0.71 3.99 5.04 -1.26 -4.06 117.35 121.22 2yuj s TYR 60 Ca 0.28 1.21 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 2yuj s TYR 60 Cb -0.00 -3.88 0.02 0.00 0.35 0.00 0.00 41.96 38.45 2yuj s TYR 60 CO 0.16 -2.60 1.07 -1.25 -1.34 0.00 0.00 175.55 171.59 2yuj s PRO 61 N -1.65 2.79 -0.49 4.97 0.04 -1.26 -5.14 135.00 134.25 2yuj s PRO 61 Ca 0.53 0.75 0.08 0.00 0.04 0.00 0.00 61.00 62.40 2yuj s PRO 61 Cb -0.44 -1.99 0.30 0.00 0.04 0.00 0.00 34.50 32.41 2yuj s PRO 61 CO 0.56 -1.15 0.73 -1.33 0.04 0.00 0.00 177.00 175.84 2yuj n MET 62 N -3.14 1.81 -3.18 4.56 2.81 -1.26 -4.99 117.12 113.73 2yuj n MET 62 Ca 0.07 -4.00 -0.39 0.00 -1.81 0.00 0.00 57.70 51.57 2yuj n MET 62 Cb 0.55 -1.83 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 2yuj n MET 62 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2yuj s LEU 63 N -2.35 4.54 -0.01 4.03 1.43 -1.26 -4.20 118.68 120.86 2yuj s LEU 63 Ca 0.41 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 2yuj s LEU 63 Cb 0.24 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2yuj s LEU 63 CO -0.08 0.24 -0.12 -0.36 0.23 0.00 0.00 176.35 176.26 2yuj s PHE 64 N -1.06 2.76 -0.44 0.29 0.40 0.67 -2.50 117.98 118.11 2yuj s PHE 64 Ca 0.31 -0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.36 2yuj s PHE 64 Cb -0.20 -1.59 0.04 0.00 0.51 0.00 0.00 43.02 41.77 2yuj s PHE 64 CO 0.21 0.28 0.37 0.21 0.70 0.00 0.00 175.22 177.00 2yuj s LYS 65 N -1.14 3.01 -0.85 0.44 2.20 0.14 -1.31 119.74 122.22 2yuj s LYS 65 Ca 0.14 -1.05 -0.16 0.00 -0.36 0.00 0.00 55.97 54.54 2yuj s LYS 65 Cb -0.11 -4.03 0.18 0.00 -1.51 0.00 0.00 37.83 32.36 2yuj s LYS 65 CO 0.04 -0.88 0.90 -0.51 -0.36 0.00 0.00 175.35 174.55 2yuj s LEU 66 N 1.82 6.03 -0.25 5.43 1.43 0.12 -2.78 118.68 130.48 2yuj s LEU 66 Ca 0.07 -2.37 -0.15 0.00 -1.03 0.00 0.00 54.13 50.65 2yuj s LEU 66 Cb -0.20 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2yuj s LEU 66 CO 0.10 -0.79 0.36 -0.89 0.23 0.00 0.00 176.35 175.35 2yuj s THR 67 N 1.28 5.20 -0.05 5.49 2.01 -1.20 -2.37 115.64 126.00 2yuj s THR 67 Ca 0.23 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.52 2yuj s THR 67 Cb -0.09 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2yuj s THR 67 CO -0.08 0.20 0.90 0.21 -0.69 0.00 0.00 174.62 175.16 2yuj s ASN 68 N 1.44 7.21 -0.45 3.53 3.84 0.32 -3.19 114.94 127.65 2yuj s ASN 68 Ca 0.15 1.48 0.03 0.00 0.21 0.00 0.00 52.86 54.73 2yuj s ASN 68 Cb -0.15 -2.52 0.60 0.00 -0.55 0.00 0.00 41.25 38.63 2yuj s ASN 68 CO 0.09 -0.27 1.88 0.29 -2.79 0.00 0.00 177.10 176.30 2yuj n LYS 69 N 4.20 2.23 0.00 0.43 4.76 -1.26 -2.75 118.16 125.77 2yuj n LYS 69 Ca 0.05 -2.85 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 2yuj n LYS 69 Cb 0.50 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 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 3.16 -0.35 4.39 2.85 -1.26 -4.81 115.26 118.25 2yuj n ASN 70 Ca 0.56 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 55.10 2yuj n ASN 70 Cb 1.47 0.00 0.12 0.00 1.24 0.00 0.00 39.78 42.61 2yuj n ASN 70 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2yuj n SER 71 N -2.60 1.68 -3.84 1.20 2.88 -1.26 -4.98 113.62 106.70 2yuj n SER 71 Ca 0.00 -2.95 -0.29 0.00 -1.33 0.00 0.00 58.87 54.30 2yuj n SER 71 Cb 0.50 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.60 2yuj n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yuj n ASP 72 N -0.97 -5.14 -4.93 -3.46 9.92 -1.20 -4.97 116.55 105.80 2yuj n ASP 72 Ca 0.13 -0.72 -0.25 0.00 -0.53 0.00 0.00 54.79 53.42 2yuj n ASP 72 Cb 0.69 -4.09 -0.01 0.00 -0.64 0.00 0.00 41.12 37.07 2yuj n ASP 72 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2yuj s ARG 73 N -6.55 3.51 -0.14 -1.24 1.81 -1.11 -4.94 118.95 110.28 2yuj s ARG 73 Ca 0.65 -0.25 -0.13 0.00 -1.72 0.00 0.00 55.73 54.28 2yuj s ARG 73 Cb -0.32 -2.65 0.04 0.00 -0.45 0.00 0.00 34.95 31.57 2yuj s ARG 73 CO 0.80 0.14 0.38 1.41 -0.68 0.00 0.00 175.30 177.36 2yuj s MET 74 N -4.19 0.44 -0.08 3.54 -2.45 -1.26 -0.52 119.30 114.78 2yuj s MET 74 Ca 0.41 0.54 -0.27 0.00 -1.25 0.00 0.00 55.69 55.12 2yuj s MET 74 Cb -0.10 0.21 0.06 0.00 1.25 0.00 0.00 34.83 36.25 2yuj s MET 74 CO 0.36 -0.06 0.62 -0.08 1.05 0.00 0.00 175.02 176.91 2yuj s THR 75 N 0.24 0.01 -0.25 10.11 -1.32 -1.00 -4.98 115.64 118.45 2yuj s THR 75 Ca -0.00 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.39 2yuj s THR 75 Cb -0.03 -0.92 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2yuj s THR 75 CO 0.00 -0.04 -0.06 -1.00 -2.21 0.00 0.00 174.62 171.31 2yuj s HIS 76 N -0.94 3.06 0.32 9.09 3.76 -1.26 0.14 115.29 129.46 2yuj s HIS 76 Ca -0.09 -1.55 0.06 0.00 -0.15 0.00 0.00 55.06 53.33 2yuj s HIS 76 Cb -0.02 -2.05 -0.06 0.00 1.11 0.00 0.00 32.58 31.56 2yuj s HIS 76 CO 0.08 -0.73 -0.02 0.00 -0.85 0.00 0.00 174.74 173.22 2yuj s GLY 78 N -3.52 2.21 -0.00 0.00 0.00 -1.24 -0.24 107.32 104.52 2yuj s GLY 78 Ca 0.33 -2.10 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 2yuj s GLY 78 CO 0.14 -2.03 0.34 0.54 0.00 0.00 0.00 173.10 172.10 2yuj s VAL 79 N -2.61 5.16 0.08 1.40 0.11 -1.26 -2.08 120.40 121.21 2yuj s VAL 79 Ca 0.33 0.56 -0.01 0.00 -2.93 0.00 0.00 61.98 59.93 2yuj s VAL 79 Cb 0.03 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 2yuj s VAL 79 CO 0.17 0.49 -0.01 -0.11 -3.33 0.00 0.00 175.10 172.31 2yuj n LEU 80 N 1.55 1.08 -4.81 2.54 7.94 -0.73 -4.85 117.00 119.72 2yuj n LEU 80 Ca -0.13 0.14 -0.22 0.00 -1.11 0.00 0.00 56.01 54.69 2yuj n LEU 80 Cb 0.53 -0.33 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 2yuj n LEU 80 CO 0.38 -0.73 -0.16 -1.61 -1.11 0.00 0.00 177.39 174.16 2yuj s GLU 81 N -1.97 2.76 -0.36 1.96 2.02 -1.22 -5.06 118.70 116.84 2yuj s GLU 81 Ca -0.01 -1.20 0.12 0.00 0.02 0.00 0.00 54.97 53.90 2yuj s GLU 81 Cb 0.00 -2.47 0.45 0.00 0.10 0.00 0.00 34.13 32.21 2yuj s GLU 81 CO 0.02 0.28 1.06 1.19 0.02 0.00 0.00 175.26 177.82 2yuj n PHE 82 N -1.21 2.26 -1.97 1.61 3.72 -1.26 -2.79 117.46 117.82 2yuj n PHE 82 Ca -0.05 -2.80 -0.08 0.00 -0.05 0.00 0.00 57.45 54.46 2yuj n PHE 82 Cb 0.59 -0.24 0.09 0.00 -0.94 0.00 0.00 39.48 38.98 2yuj n PHE 82 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2yuj n VAL 83 N -0.35 2.10 -3.35 -4.37 0.24 -1.22 -3.58 118.33 107.79 2yuj n VAL 83 Ca 0.25 -3.48 -0.28 0.00 -2.04 0.00 0.00 64.34 58.78 2yuj n VAL 83 Cb 0.77 -0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 32.70 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 -3.20 3.63 0.63 2.33 0.00 -1.15 -4.98 121.76 119.02 2yuj s ALA 84 Ca 0.43 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2yuj s ALA 84 Cb 0.39 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2yuj s ALA 84 CO -0.03 0.24 1.30 -0.51 0.00 0.00 0.00 175.76 176.76 2yuj s ASP 85 N -3.20 4.69 -0.21 0.00 1.11 -1.22 -4.03 116.67 113.82 2yuj s ASP 85 Ca 0.44 2.63 -0.28 0.00 0.18 0.00 0.00 52.55 55.52 2yuj s ASP 85 Cb -0.11 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.21 2yuj s ASP 85 CO 0.30 -1.95 2.22 -0.62 1.18 0.00 0.00 175.17 176.30 2yuj n GLU 86 N -1.80 2.01 0.00 8.23 -0.58 -1.26 -1.06 120.64 126.17 2yuj n GLU 86 Ca 0.15 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 2yuj n GLU 86 Cb 0.48 -3.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.11 2yuj n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yuj n GLY 87 N 5.72 3.24 3.62 0.62 0.00 -1.26 -5.02 105.19 112.10 2yuj n GLY 87 Ca 0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.43 5.30 -0.14 -0.61 1.01 -0.23 -3.32 121.20 120.78 2yuj s ILE 88 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 2yuj s ILE 88 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2yuj s ILE 88 CO 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 174.94 175.14 2yuj s TYR 90 N 0.29 3.64 0.05 0.00 2.02 -0.88 -1.52 117.35 120.95 2yuj s TYR 90 Ca -0.05 0.91 -0.07 0.00 -0.37 0.00 0.00 57.07 57.49 2yuj s TYR 90 Cb -0.14 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.17 2yuj s TYR 90 CO 0.04 0.55 0.13 -0.51 -1.57 0.00 0.00 175.55 174.19 2yuj s LEU 91 N -1.60 1.67 0.00 -1.29 1.02 -0.47 -1.98 118.68 116.03 2yuj s LEU 91 Ca 0.30 -0.56 -0.07 0.00 0.02 0.00 0.00 54.13 53.82 2yuj s LEU 91 Cb -0.15 0.76 0.10 0.00 0.02 0.00 0.00 46.19 46.92 2yuj s LEU 91 CO 0.16 -0.58 0.24 -2.65 0.02 0.00 0.00 176.35 173.54 2yuj n PRO 92 N 0.49 -1.42 -0.07 1.29 -0.02 -1.26 -2.58 135.00 131.43 2yuj n PRO 92 Ca -0.18 -0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 60.73 2yuj n PRO 92 Cb 0.60 -0.66 -0.13 0.00 -0.02 0.00 0.00 33.50 33.28 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 -3.58 0.54 -0.31 6.00 -0.00 -1.26 -3.92 115.22 112.69 2yuj n HIS 93 Ca 0.04 0.13 -0.03 0.00 0.46 0.00 0.00 57.72 58.31 2yuj n HIS 93 Cb 0.16 -1.08 0.12 0.00 -0.12 0.00 0.00 29.99 29.08 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 0.03 1.19 -0.64 1.57 5.08 -1.93 -2.25 115.95 118.98 2yuj h TRP 94 Ca -0.49 -0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.36 2yuj h TRP 94 Cb 2.00 -0.38 -0.02 0.00 -3.00 0.00 0.00 29.16 27.75 2yuj h TRP 94 CO 0.04 0.81 0.04 1.98 -1.28 0.00 0.00 178.44 180.03 2yuj h MET 95 N 1.22 1.10 -0.71 0.12 4.05 -1.91 -0.97 114.93 117.83 2yuj h MET 95 Ca 0.31 -0.33 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 2yuj h MET 95 Cb 0.01 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 2yuj h MET 95 CO -0.05 1.05 0.35 0.52 0.23 0.00 0.00 176.91 179.00 2yuj h MET 96 N 1.01 1.00 -0.10 0.39 2.86 -1.57 -0.05 114.93 118.47 2yuj h MET 96 Ca 0.19 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 57.48 2yuj h MET 96 Cb 0.53 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.00 2yuj h MET 96 CO 0.03 0.76 -0.82 1.96 1.06 0.00 0.00 176.91 179.90 2yuj h GLN 97 N 1.00 0.64 -0.50 1.72 1.08 -1.17 0.70 115.11 118.57 2yuj h GLN 97 Ca 0.25 -0.56 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 2yuj h GLN 97 Cb 0.09 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2yuj h GLN 97 CO -0.03 1.18 0.02 -0.97 -0.95 0.00 0.00 178.83 178.07 2yuj h ASN 98 N 0.42 0.86 1.41 1.46 -1.24 -0.81 -2.82 115.58 114.85 2yuj h ASN 98 Ca -0.06 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.65 2yuj h ASN 98 Cb 1.44 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.26 2yuj h ASN 98 CO 0.16 0.94 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.90 2yuj h LEU 99 N 0.74 0.00 0.24 0.34 3.38 -1.05 -3.48 115.31 115.49 2yuj h LEU 99 Ca 0.15 -0.05 -0.36 0.00 0.09 0.00 0.00 57.88 57.71 2yuj h LEU 99 Cb 0.49 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.32 2yuj h LEU 99 CO 0.02 0.03 -0.56 0.18 0.09 0.00 0.00 178.44 178.19 2yuj n LEU 100 N -2.51 -2.81 0.00 1.67 4.77 0.19 -4.80 117.00 113.51 2yuj n LEU 100 Ca 0.04 -0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 55.48 2yuj n LEU 100 Cb 0.47 -2.72 0.13 0.00 -2.33 0.00 0.00 43.42 38.97 2yuj n LEU 100 CO 0.34 0.34 0.57 0.18 -1.33 0.00 0.00 177.39 177.49 2yuj n LEU 101 N -3.92 0.00 -4.30 2.23 4.77 -0.88 -5.01 117.00 109.88 2yuj n LEU 101 Ca -0.06 -1.31 -0.16 0.00 -0.03 0.00 0.00 56.01 54.45 2yuj n LEU 101 Cb 0.59 -0.66 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 2yuj n LEU 101 CO 0.47 -1.08 -0.27 -1.61 -1.33 0.00 0.00 177.39 173.57 2yuj s GLU 102 N -4.91 1.34 -0.74 3.23 2.02 -1.26 -4.92 118.70 113.47 2yuj s GLU 102 Ca 0.55 -1.71 -0.26 0.00 0.02 0.00 0.00 54.97 53.57 2yuj s GLU 102 Cb -0.02 -0.27 -0.13 0.00 0.10 0.00 0.00 34.13 33.81 2yuj s GLU 102 CO 0.37 -0.25 2.42 -1.21 0.02 0.00 0.00 175.26 176.61 2yuj s GLU 103 N -4.00 1.67 0.00 1.61 2.02 -1.26 -1.93 118.70 116.80 2yuj s GLU 103 Ca 0.35 0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.99 2yuj s GLU 103 Cb 0.07 -4.75 0.00 0.00 0.10 0.00 0.00 34.13 29.56 2yuj s GLU 103 CO 0.11 -4.28 0.00 0.41 0.02 0.00 0.00 175.26 171.53 2yuj n GLY 104 N 6.68 0.88 3.57 -1.39 0.00 0.17 -5.01 105.19 110.07 2yuj n GLY 104 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.11 2yuj n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yuj s GLY 105 N -1.50 1.88 0.10 -0.02 0.00 -0.81 -4.70 107.32 102.27 2yuj s GLY 105 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.44 2yuj s GLY 105 CO 0.00 0.40 1.23 1.08 0.00 0.00 0.00 173.10 175.81 2yuj s LEU 106 N 1.21 4.39 0.06 0.66 1.43 -1.26 0.29 118.68 125.45 2yuj s LEU 106 Ca 0.06 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 2yuj s LEU 106 Cb -0.14 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2yuj s LEU 106 CO 0.05 -0.48 -0.10 -0.69 0.23 0.00 0.00 176.35 175.35 2yuj s VAL 107 N 0.80 0.79 0.37 -1.59 1.01 -0.32 -4.80 120.40 116.67 2yuj s VAL 107 Ca 0.58 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2yuj s VAL 107 Cb -0.32 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 2yuj s VAL 107 CO 0.31 -0.34 1.14 -1.10 0.00 0.00 0.00 175.10 175.11 2yuj s GLN 108 N -1.75 4.22 -0.23 2.72 -1.52 -1.19 -1.19 119.66 120.72 2yuj s GLN 108 Ca -0.06 1.78 -0.01 0.00 -1.95 0.00 0.00 55.36 55.13 2yuj s GLN 108 Cb -0.09 -2.78 0.07 0.00 -0.22 0.00 0.00 33.01 29.98 2yuj s GLN 108 CO 0.01 -0.16 0.01 0.08 -0.25 0.00 0.00 175.29 174.98 2yuj s VAL 109 N -1.39 1.01 -0.10 1.09 1.01 -0.17 -3.22 120.40 118.62 2yuj s VAL 109 Ca 0.54 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2yuj s VAL 109 Cb -0.30 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2yuj s VAL 109 CO 0.38 -0.23 -0.10 -1.61 0.00 0.00 0.00 175.10 173.53 2yuj s GLU 110 N 1.62 1.71 -0.19 2.72 0.41 -1.12 -2.46 118.70 121.38 2yuj s GLU 110 Ca -0.01 -0.36 -0.28 0.00 -0.41 0.00 0.00 54.97 53.91 2yuj s GLU 110 Cb -0.18 -1.60 -0.00 0.00 -1.78 0.00 0.00 34.13 30.57 2yuj s GLU 110 CO -0.09 -0.15 0.97 -1.54 -0.49 0.00 0.00 175.26 173.95 2yuj s SER 111 N 1.29 7.07 0.16 -0.19 1.04 -1.16 0.24 113.70 122.14 2yuj s SER 111 Ca -0.02 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.81 2yuj s SER 111 Cb -0.14 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2yuj s SER 111 CO -0.04 -0.55 -0.17 0.68 0.98 0.00 0.00 173.24 174.13 2yuj s VAL 112 N 2.71 1.72 -0.44 5.02 -7.23 -1.04 -4.81 120.40 116.34 2yuj s VAL 112 Ca 0.43 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2yuj s VAL 112 Cb -0.16 -1.78 0.11 0.00 0.56 0.00 0.00 36.38 35.11 2yuj s VAL 112 CO 0.10 -0.34 0.27 0.21 -0.31 0.00 0.00 175.10 175.03 2yuj s ASN 113 N -2.62 5.49 0.61 4.85 3.84 -1.26 -4.36 114.94 121.50 2yuj s ASN 113 Ca 0.14 -1.90 0.08 0.00 0.21 0.00 0.00 52.86 51.39 2yuj s ASN 113 Cb -0.06 -1.93 0.10 0.00 -0.55 0.00 0.00 41.25 38.82 2yuj s ASN 113 CO 0.06 -0.61 0.84 -0.76 -2.79 0.00 0.00 177.10 173.84 2yuj s LEU 114 N 1.28 3.06 0.42 3.21 1.43 -1.26 -5.10 118.68 121.71 2yuj s LEU 114 Ca 0.06 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.44 2yuj s LEU 114 Cb -0.24 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2yuj s LEU 114 CO -0.02 -1.47 0.13 0.00 0.23 0.00 0.00 176.35 175.23 2yuj s GLN 115 N -4.77 2.15 0.20 1.70 0.00 -1.26 -4.64 119.66 113.05 2yuj s GLN 115 Ca 0.63 -1.95 -0.30 0.00 -0.00 0.00 0.00 55.36 53.74 2yuj s GLN 115 Cb -0.05 -1.87 -0.09 0.00 0.00 0.00 0.00 33.01 31.00 2yuj s GLN 115 CO 0.40 -0.13 1.28 0.14 0.00 0.00 0.00 175.29 176.98 2yuj s VAL 116 N -2.65 3.28 0.40 3.63 -7.23 -1.23 -0.73 120.40 115.86 2yuj s VAL 116 Ca 0.37 1.07 -0.24 0.00 -1.81 0.00 0.00 61.98 61.37 2yuj s VAL 116 Cb 0.05 -3.69 -0.09 0.00 0.56 0.00 0.00 36.38 33.22 2yuj s VAL 116 CO 0.20 0.17 1.07 0.00 -0.31 0.00 0.00 175.10 176.24 2yuj s ALA 117 N -0.04 3.10 -0.09 1.32 0.00 -1.26 -4.71 121.76 120.08 2yuj s ALA 117 Ca 0.55 0.76 0.06 0.00 0.00 0.00 0.00 51.96 53.33 2yuj s ALA 117 Cb -0.36 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2yuj s ALA 117 CO 0.39 -0.28 0.00 0.25 0.00 0.00 0.00 175.76 176.13 2yuj n THR 118 N -0.01 0.60 -3.85 0.00 -2.24 -1.17 -4.53 114.28 103.08 2yuj n THR 118 Ca 0.05 -0.34 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 2yuj n THR 118 Cb 0.49 -0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.21 1.79 -0.17 4.78 5.04 -1.26 0.50 117.35 125.82 2yuj s TYR 119 Ca -0.06 -1.35 0.01 0.00 -2.44 0.00 0.00 57.07 53.23 2yuj s TYR 119 Cb 0.03 -1.34 0.03 0.00 0.35 0.00 0.00 41.96 41.03 2yuj s TYR 119 CO 0.33 -0.70 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.15 2yuj s SER 120 N 1.60 3.00 -0.16 4.32 1.04 -0.55 -0.59 113.70 122.37 2yuj s SER 120 Ca -0.03 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.71 2yuj s SER 120 Cb -0.18 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.59 2yuj s SER 120 CO -0.07 -0.05 0.02 -0.75 0.98 0.00 0.00 173.24 173.37 2yuj s LYS 121 N 1.39 3.77 0.26 4.02 2.20 0.12 -0.19 119.74 131.30 2yuj s LYS 121 Ca 0.04 -0.42 0.11 0.00 -0.36 0.00 0.00 55.97 55.34 2yuj s LYS 121 Cb -0.14 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 2yuj s LYS 121 CO -0.11 0.30 -0.15 -0.06 -0.36 0.00 0.00 175.35 174.97 2yuj s PHE 122 N 0.25 2.42 -0.30 4.03 0.40 -0.67 -0.63 117.98 123.47 2yuj s PHE 122 Ca 0.01 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 2yuj s PHE 122 Cb -0.13 -1.08 0.12 0.00 0.51 0.00 0.00 43.02 42.44 2yuj s PHE 122 CO 0.01 0.65 0.22 -1.14 0.70 0.00 0.00 175.22 175.66 2yuj s GLN 123 N -3.39 0.32 -0.35 0.44 0.74 -0.44 -1.24 119.66 115.73 2yuj s GLN 123 Ca 0.29 -0.53 -0.37 0.00 0.05 0.00 0.00 55.36 54.80 2yuj s GLN 123 Cb -0.06 -0.97 -0.13 0.00 1.10 0.00 0.00 33.01 32.95 2yuj s GLN 123 CO 0.16 -1.06 2.15 -2.30 -0.55 0.00 0.00 175.29 173.68 2yuj n PRO 124 N 5.03 0.98 0.15 1.67 -0.02 -1.26 -3.18 135.00 138.38 2yuj n PRO 124 Ca -0.01 0.28 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 2yuj n PRO 124 Cb 0.43 -2.33 0.45 0.00 -0.02 0.00 0.00 33.50 32.03 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 11.57 0.17 -6.60 -0.52 1.08 -1.13 -3.43 115.11 116.25 2yuj h GLN 125 Ca -0.27 -0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.23 2yuj h GLN 125 Cb 1.33 -0.03 -0.18 0.00 -0.05 0.00 0.00 27.48 28.56 2yuj h GLN 125 CO 1.02 0.28 -0.77 -1.12 -0.95 0.00 0.00 178.83 177.30 2yuj s SER 126 N -6.92 4.16 0.27 1.46 0.01 -1.18 -5.02 113.70 106.48 2yuj s SER 126 Ca -0.05 -0.44 0.24 0.00 1.31 0.00 0.00 55.95 57.01 2yuj s SER 126 Cb 0.16 -0.72 0.98 0.00 0.21 0.00 0.00 66.02 66.64 2yuj s SER 126 CO 0.72 0.19 1.73 -0.81 0.41 0.00 0.00 173.24 175.48 2yuj n PRO 127 N 0.89 0.21 -0.19 12.44 -0.04 -1.26 -3.16 135.00 143.89 2yuj n PRO 127 Ca -0.15 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2yuj n PRO 127 Cb 0.52 -1.88 0.42 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.55 -0.02 3.54 3.32 -1.96 -0.92 116.42 120.94 2yuj h ASP 128 Ca 0.00 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 2yuj h ASP 128 Cb 0.41 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.88 2yuj h ASP 128 CO 0.00 0.32 -0.71 0.15 -1.72 0.00 0.00 179.24 177.28 2yuj h PHE 129 N 0.60 0.74 -0.12 4.55 3.04 -1.93 -3.22 116.94 120.61 2yuj h PHE 129 Ca 0.36 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2yuj h PHE 129 Cb 0.58 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 2yuj h PHE 129 CO -0.00 1.21 0.08 -0.07 -2.02 0.00 0.00 178.31 177.51 2yuj h LEU 130 N 0.07 0.14 -1.65 0.59 3.38 -1.50 -0.87 115.31 115.46 2yuj h LEU 130 Ca -0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2yuj h LEU 130 Cb 1.39 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2yuj h LEU 130 CO 0.14 0.10 -0.20 0.44 0.09 0.00 0.00 178.44 179.02 2yuj h ASP 131 N 0.16 0.00 -3.61 -0.43 3.32 -1.21 -3.43 116.42 111.22 2yuj h ASP 131 Ca 0.04 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.56 2yuj h ASP 131 Cb -0.01 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.62 2yuj h ASP 131 CO -0.01 0.20 0.78 -0.63 -1.72 0.00 0.00 179.24 177.86 2yuj s ILE 132 N -4.40 2.31 0.26 0.35 1.01 -0.33 -4.91 121.20 115.49 2yuj s ILE 132 Ca -0.03 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.93 2yuj s ILE 132 Cb 0.15 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.46 2yuj s ILE 132 CO 0.66 0.06 1.66 0.00 0.00 0.00 0.00 174.94 177.32 2yuj h THR 133 N 3.25 1.30 -2.85 2.92 1.03 -1.86 -3.34 112.91 113.35 2yuj h THR 133 Ca -0.48 -1.51 -0.62 0.00 -0.01 0.00 0.00 66.41 63.79 2yuj h THR 133 Cb 1.23 1.58 -0.42 0.00 -1.07 0.00 0.00 68.15 69.46 2yuj h THR 133 CO 0.72 0.46 -0.55 0.59 -0.01 0.00 0.00 175.52 176.74 2yuj n ASN 134 N -4.04 3.31 0.18 0.00 4.13 -1.26 -4.90 115.26 112.67 2yuj n ASN 134 Ca -0.01 -3.28 0.03 0.00 1.68 0.00 0.00 54.58 53.00 2yuj n ASN 134 Cb 0.48 -0.75 0.32 0.00 -1.54 0.00 0.00 39.78 38.29 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 5.08 0.00 -0.12 3.52 0.13 -1.85 -2.96 132.00 135.80 2yuj h PRO 135 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 2yuj h PRO 135 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2yuj h PRO 135 CO 0.76 0.43 -0.15 0.87 -0.23 0.00 0.00 178.00 179.68 2yuj h LYS 136 N 0.00 0.31 -0.10 0.86 1.57 -1.94 -1.53 116.57 115.72 2yuj h LYS 136 Ca -0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2yuj h LYS 136 Cb 0.85 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2yuj h LYS 136 CO 0.06 0.74 -0.04 0.00 -0.57 0.00 0.00 179.45 179.63 2yuj h ALA 137 N 0.57 1.74 0.03 3.86 0.00 -1.97 0.66 119.26 124.14 2yuj h ALA 137 Ca 0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2yuj h ALA 137 Cb 0.70 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2yuj h ALA 137 CO 0.04 0.20 -1.00 0.28 0.00 0.00 0.00 179.25 178.76 2yuj h VAL 138 N 0.15 1.62 0.10 0.00 2.07 -1.45 -2.70 116.25 116.03 2yuj h VAL 138 Ca 0.04 -3.12 -0.30 0.00 0.82 0.00 0.00 66.70 64.14 2yuj h VAL 138 Cb 0.18 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2yuj h VAL 138 CO 0.01 0.90 -1.50 0.25 0.02 0.00 0.00 177.57 177.24 2yuj h LEU 139 N 0.03 0.32 -0.89 2.57 5.85 -0.58 -3.22 115.31 119.39 2yuj h LEU 139 Ca -0.04 -0.45 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 2yuj h LEU 139 Cb 1.72 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 2yuj h LEU 139 CO 0.14 1.37 -0.54 -0.33 -0.34 0.00 0.00 178.44 178.74 2yuj h GLU 140 N 0.06 0.04 -0.03 1.25 4.39 0.21 -2.79 114.58 117.71 2yuj h GLU 140 Ca -0.23 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 2yuj h GLU 140 Cb 1.99 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 2yuj h GLU 140 CO 0.15 0.57 -0.69 -0.91 -1.16 0.00 0.00 179.01 176.97 2yuj h ASN 141 N 0.03 0.16 0.52 1.42 2.35 -1.58 -3.12 115.58 115.36 2yuj h ASN 141 Ca -0.00 -0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 2yuj h ASN 141 Cb 0.97 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 2yuj h ASN 141 CO 0.07 0.80 -0.67 0.00 -1.65 0.00 0.00 177.43 175.97 2yuj h ALA 142 N 1.20 0.82 -0.10 -0.83 0.00 -1.52 -3.06 119.26 115.77 2yuj h ALA 142 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.32 2yuj h ALA 142 Cb 1.22 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2yuj h ALA 142 CO 0.10 0.80 0.07 -0.07 0.00 0.00 0.00 179.25 180.15 2yuj h LEU 143 N 0.09 0.05 -2.05 0.00 3.38 -1.43 -0.46 115.31 114.89 2yuj h LEU 143 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2yuj h LEU 143 Cb 1.20 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2yuj h LEU 143 CO 0.10 0.04 -0.08 0.03 0.09 0.00 0.00 178.44 178.61 2yuj h ARG 144 N 0.06 0.00 -0.89 1.13 2.47 -1.61 -1.39 114.38 114.15 2yuj h ARG 144 Ca 0.04 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.49 2yuj h ARG 144 Cb 0.11 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.26 2yuj h ARG 144 CO -0.00 0.08 0.35 0.09 0.56 0.00 0.00 179.97 181.05 2yuj n ASN 145 N -3.96 4.00 -4.09 7.04 4.13 -0.18 -4.90 115.26 117.30 2yuj n ASN 145 Ca -0.02 -3.11 -0.12 0.00 1.68 0.00 0.00 54.58 53.00 2yuj n ASN 145 Cb 0.17 -0.73 -0.11 0.00 -1.54 0.00 0.00 39.78 37.57 2yuj n ASN 145 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2yuj s PHE 146 N -2.56 0.74 -0.10 3.10 0.40 -0.52 -2.95 117.98 116.08 2yuj s PHE 146 Ca 0.45 -0.61 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 2yuj s PHE 146 Cb 0.37 -0.44 -0.10 0.00 0.51 0.00 0.00 43.02 43.36 2yuj s PHE 146 CO 0.10 -0.10 -0.03 0.00 0.70 0.00 0.00 175.22 175.90 2yuj n ALA 147 N 1.06 1.77 -2.30 5.36 0.00 -1.26 -4.84 120.51 120.30 2yuj n ALA 147 Ca -0.20 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.61 2yuj n ALA 147 Cb 0.56 0.13 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.75 1.76 0.11 0.00 1.02 -0.93 -4.94 118.68 112.96 2yuj s LEU 149 Ca 0.04 -0.02 0.10 0.00 0.02 0.00 0.00 54.13 54.27 2yuj s LEU 149 Cb 0.05 -0.09 -0.04 0.00 0.02 0.00 0.00 46.19 46.13 2yuj s LEU 149 CO -0.09 -0.02 -0.21 0.42 0.02 0.00 0.00 176.35 176.47 2yuj s THR 150 N 0.26 2.61 -0.48 5.49 -4.23 -1.25 -2.26 115.64 115.78 2yuj s THR 150 Ca -0.02 -1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 2yuj s THR 150 Cb -0.04 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 2yuj s THR 150 CO -0.01 0.13 1.80 -0.89 -0.54 0.00 0.00 174.62 175.11 2yuj s THR 151 N -1.09 3.45 0.00 3.99 2.01 -1.20 -2.73 115.64 120.07 2yuj s THR 151 Ca 0.16 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2yuj s THR 151 Cb -0.10 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2yuj s THR 151 CO 0.08 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.93 2yuj n GLY 152 N 5.53 1.67 3.38 4.40 0.00 -0.83 -5.03 105.19 114.31 2yuj n GLY 152 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2yuj n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yuj s ASP 153 N -2.00 5.59 -1.30 1.61 1.11 -1.11 -4.86 116.67 115.72 2yuj s ASP 153 Ca 0.00 -0.88 -0.18 0.00 0.18 0.00 0.00 52.55 51.67 2yuj s ASP 153 Cb 0.00 -1.99 0.06 0.00 1.07 0.00 0.00 42.92 42.06 2yuj s ASP 153 CO 0.00 -0.32 1.75 0.52 1.18 0.00 0.00 175.17 178.30 2yuj n VAL 154 N 4.96 3.85 -0.99 -1.27 0.31 -1.26 -2.79 118.33 121.14 2yuj n VAL 154 Ca -0.13 -4.01 -0.31 0.00 -0.01 0.00 0.00 64.34 59.88 2yuj n VAL 154 Cb 0.47 -2.34 0.13 0.00 -0.91 0.00 0.00 33.84 31.18 2yuj n VAL 154 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2yuj s ILE 155 N 4.54 2.51 -0.43 2.52 -4.36 -0.36 -4.83 121.20 120.78 2yuj s ILE 155 Ca 0.55 0.18 0.03 0.00 -0.26 0.00 0.00 60.65 61.14 2yuj s ILE 155 Cb 0.04 -2.42 0.12 0.00 1.25 0.00 0.00 42.46 41.45 2yuj s ILE 155 CO 0.08 -0.20 0.19 0.00 0.24 0.00 0.00 174.94 175.25 2yuj s ALA 156 N -2.63 2.59 0.38 2.27 0.00 -1.26 -3.14 121.76 119.96 2yuj s ALA 156 Ca 0.66 -2.69 -0.13 0.00 0.00 0.00 0.00 51.96 49.80 2yuj s ALA 156 Cb -0.22 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 2yuj s ALA 156 CO 0.55 -1.93 0.77 0.96 0.00 0.00 0.00 175.76 176.11 2yuj s ILE 157 N 0.40 4.72 -0.19 0.00 -4.36 -1.25 -4.75 121.20 115.77 2yuj s ILE 157 Ca 0.15 0.81 -0.19 0.00 -0.26 0.00 0.00 60.65 61.16 2yuj s ILE 157 Cb -0.23 -3.68 0.05 0.00 1.25 0.00 0.00 42.46 39.85 2yuj s ILE 157 CO -0.04 -0.39 0.53 0.21 0.24 0.00 0.00 174.94 175.49 2yuj s ASN 158 N -2.78 -0.55 0.00 4.36 2.47 -1.26 -1.28 114.94 115.91 2yuj s ASN 158 Ca 0.53 1.02 0.00 0.00 0.42 0.00 0.00 52.86 54.83 2yuj s ASN 158 Cb -0.10 1.03 0.00 0.00 -1.45 0.00 0.00 41.25 40.73 2yuj s ASN 158 CO 0.25 -0.22 0.00 0.00 -3.72 0.00 0.00 177.10 173.42 2yuj n TYR 159 N 2.64 -1.63 -1.36 0.43 4.11 -1.26 -4.95 117.16 115.13 2yuj n TYR 159 Ca -0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.48 2yuj n TYR 159 Cb 0.56 0.33 0.01 0.00 -0.00 0.00 0.00 39.34 40.24 2yuj n TYR 159 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 2yuj n ASN 160 N -2.16 6.90 -2.37 9.48 0.23 -1.26 -4.78 115.26 121.30 2yuj n ASN 160 Ca 0.00 -3.39 -0.16 0.00 -0.53 0.00 0.00 54.58 50.50 2yuj n ASN 160 Cb 0.00 -1.11 -0.01 0.00 -2.08 0.00 0.00 39.78 36.58 2yuj n ASN 160 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2yuj n GLU 161 N 0.13 -1.94 -3.67 -3.83 1.02 -1.26 -4.94 120.64 106.16 2yuj n GLU 161 Ca 0.47 0.81 -0.11 0.00 -0.02 0.00 0.00 57.16 58.31 2yuj n GLU 161 Cb 0.52 -5.42 -0.12 0.00 -0.02 0.00 0.00 31.44 26.41 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 -4.95 0.25 -0.50 3.49 1.02 -1.26 -5.12 119.74 112.67 2yuj s LYS 162 Ca 0.00 0.84 -0.25 0.00 0.02 0.00 0.00 55.97 56.58 2yuj s LYS 162 Cb 0.00 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.44 2yuj s LYS 162 CO 0.00 -0.25 0.95 0.42 -0.92 0.00 0.00 175.35 175.55 2yuj s ILE 163 N 2.26 4.42 0.88 2.17 1.09 -1.26 -4.12 121.20 126.63 2yuj s ILE 163 Ca -0.02 0.62 -0.14 0.00 -1.10 0.00 0.00 60.65 60.01 2yuj s ILE 163 Cb -0.11 -4.49 0.14 0.00 -1.06 0.00 0.00 42.46 36.94 2yuj s ILE 163 CO -0.11 -0.95 1.25 -0.31 -0.10 0.00 0.00 174.94 174.72 2yuj s TYR 164 N 3.89 2.31 -0.24 3.97 1.51 -0.40 -4.93 117.35 123.46 2yuj s TYR 164 Ca 0.35 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.97 2yuj s TYR 164 Cb -0.11 -3.79 0.06 0.00 -0.11 0.00 0.00 41.96 38.02 2yuj s TYR 164 CO 0.24 -2.18 -0.07 -1.21 -1.11 0.00 0.00 175.55 171.22 2yuj s GLU 165 N -5.72 1.81 -0.15 -0.62 2.02 -1.26 -3.80 118.70 110.98 2yuj s GLU 165 Ca 0.68 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 2yuj s GLU 165 Cb -0.08 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.51 2yuj s GLU 165 CO 0.51 -0.59 -0.08 -0.51 0.02 0.00 0.00 175.26 174.62 2yuj s LEU 166 N 1.31 1.52 -0.12 1.80 1.43 -1.19 -0.50 118.68 122.92 2yuj s LEU 166 Ca -0.07 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2yuj s LEU 166 Cb -0.19 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2yuj s LEU 166 CO -0.06 -0.14 -0.08 -0.60 0.23 0.00 0.00 176.35 175.70 2yuj s ARG 167 N 1.63 3.28 0.03 1.70 3.52 -1.19 -1.23 118.95 126.69 2yuj s ARG 167 Ca 0.03 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.74 2yuj s ARG 167 Cb -0.14 -2.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.48 2yuj s ARG 167 CO -0.08 0.37 1.34 0.08 -0.81 0.00 0.00 175.30 176.20 2yuj s VAL 168 N -0.02 3.74 -0.15 7.11 1.01 -1.12 -1.33 120.40 129.64 2yuj s VAL 168 Ca -0.01 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 2yuj s VAL 168 Cb -0.14 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 2yuj s VAL 168 CO 0.03 0.04 0.19 0.24 0.00 0.00 0.00 175.10 175.60 2yuj h MET 169 N 7.37 0.00 -4.08 2.72 2.86 -1.16 -2.20 114.93 120.45 2yuj h MET 169 Ca -0.39 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.14 2yuj h MET 169 Cb 1.19 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 2yuj h MET 169 CO 0.87 0.53 -0.56 -2.00 1.06 0.00 0.00 176.91 176.82 2yuj s GLU 170 N -2.13 0.71 -0.12 1.72 2.56 -1.02 -4.61 118.70 115.82 2yuj s GLU 170 Ca -0.17 -1.13 -0.28 0.00 0.00 0.00 0.00 54.97 53.40 2yuj s GLU 170 Cb 0.02 0.26 0.07 0.00 2.00 0.00 0.00 34.13 36.48 2yuj s GLU 170 CO 0.39 -0.18 0.66 0.95 -0.56 0.00 0.00 175.26 176.53 2yuj s THR 171 N -3.90 0.00 0.17 -1.70 -4.23 -1.26 0.11 115.64 104.84 2yuj s THR 171 Ca 0.07 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.61 2yuj s THR 171 Cb 0.07 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 2yuj s THR 171 CO -0.10 -0.01 -0.12 -0.54 -0.54 0.00 0.00 174.62 173.30 2yuj s LYS 172 N -0.65 1.19 0.05 3.99 1.02 0.25 -4.44 119.74 121.15 2yuj s LYS 172 Ca -0.07 -1.51 -0.16 0.00 0.02 0.00 0.00 55.97 54.24 2yuj s LYS 172 Cb -0.02 -0.87 -0.23 0.00 -0.52 0.00 0.00 37.83 36.18 2yuj s LYS 172 CO 0.06 0.13 1.16 -1.00 -0.92 0.00 0.00 175.35 174.78 2yuj h PRO 173 N 2.69 0.61 -6.19 -1.68 0.13 -1.89 -3.09 132.00 122.58 2yuj h PRO 173 Ca -0.37 -0.66 -0.50 0.00 -0.87 0.00 0.00 66.00 63.59 2yuj h PRO 173 Cb 1.21 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 2yuj h PRO 173 CO 0.62 1.26 -0.33 0.34 -0.23 0.00 0.00 178.00 179.67 2yuj s ASP 174 N -7.12 5.01 0.13 1.44 2.15 -1.26 -5.04 116.67 111.99 2yuj s ASP 174 Ca -0.11 -0.83 -0.19 0.00 0.43 0.00 0.00 52.55 51.85 2yuj s ASP 174 Cb 0.06 -0.31 -0.02 0.00 -0.30 0.00 0.00 42.92 42.34 2yuj s ASP 174 CO 0.89 -0.81 1.74 0.07 -0.17 0.00 0.00 175.17 176.89 2yuj h LYS 175 N 0.87 0.15 -5.25 4.34 2.10 -1.91 -3.38 116.57 113.49 2yuj h LYS 175 Ca -0.39 -0.01 -0.66 0.00 -2.00 0.00 0.00 60.65 57.59 2yuj h LYS 175 Cb 1.28 -0.03 -0.16 0.00 -0.90 0.00 0.00 32.23 32.41 2yuj h LYS 175 CO 0.55 0.10 0.02 0.00 -2.00 0.00 0.00 179.45 178.12 2yuj s ALA 176 N -6.18 3.39 -0.08 0.07 0.00 -1.26 -3.26 121.76 114.45 2yuj s ALA 176 Ca -0.13 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 50.62 2yuj s ALA 176 Cb 0.10 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2yuj s ALA 176 CO 0.69 -1.65 -0.22 0.14 0.00 0.00 0.00 175.76 174.72 2yuj s VAL 177 N 2.59 2.27 -0.64 0.00 -7.23 -0.96 -4.60 120.40 111.83 2yuj s VAL 177 Ca 0.19 -0.97 -0.22 0.00 -1.81 0.00 0.00 61.98 59.18 2yuj s VAL 177 Cb -0.15 -1.86 0.08 0.00 0.56 0.00 0.00 36.38 35.01 2yuj s VAL 177 CO 0.17 0.56 0.90 -0.55 -0.31 0.00 0.00 175.10 175.87 2yuj s SER 178 N -0.02 6.18 -0.96 4.85 0.15 0.09 -2.20 113.70 121.79 2yuj s SER 178 Ca -0.07 -1.11 -0.15 0.00 0.70 0.00 0.00 55.95 55.32 2yuj s SER 178 Cb -0.15 -2.39 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 2yuj s SER 178 CO 0.05 -1.36 1.06 0.27 1.20 0.00 0.00 173.24 174.46 2yuj s ILE 179 N 3.72 5.21 -0.65 6.45 -4.36 -0.24 -3.50 121.20 127.83 2yuj s ILE 179 Ca 0.20 -2.25 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 2yuj s ILE 179 Cb -0.19 -4.68 0.16 0.00 1.25 0.00 0.00 42.46 39.00 2yuj s ILE 179 CO 0.09 -1.34 0.44 -0.63 0.24 0.00 0.00 174.94 173.74 2yuj s ILE 180 N 1.24 3.03 -0.54 8.37 1.01 -1.26 -4.51 121.20 128.54 2yuj s ILE 180 Ca 0.29 -3.79 -0.08 0.00 0.00 0.00 0.00 60.65 57.08 2yuj s ILE 180 Cb -0.07 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.41 2yuj s ILE 180 CO -0.08 -0.93 0.60 1.21 0.00 0.00 0.00 174.94 175.75 2yuj n GLU 181 N 2.54 -1.76 -3.66 2.79 4.07 -1.26 -5.06 120.64 118.29 2yuj n GLU 181 Ca 0.14 1.75 -0.13 0.00 -0.06 0.00 0.00 57.16 58.85 2yuj n GLU 181 Cb 0.34 -5.44 -0.06 0.00 -0.06 0.00 0.00 31.44 26.22 2yuj n GLU 181 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yuj s ASP 183 N -1.89 6.56 0.33 0.00 1.11 -1.26 -5.07 116.67 116.45 2yuj s ASP 183 Ca -0.06 0.66 0.07 0.00 0.18 0.00 0.00 52.55 53.40 2yuj s ASP 183 Cb -0.01 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.71 2yuj s ASP 183 CO -0.01 0.04 0.28 0.00 1.18 0.00 0.00 175.17 176.66 2yuj s MET 184 N 0.60 1.76 -0.32 8.23 0.23 -1.26 -4.88 119.30 123.67 2yuj s MET 184 Ca 0.21 -2.01 -0.07 0.00 -1.03 0.00 0.00 55.69 52.79 2yuj s MET 184 Cb -0.14 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.51 2yuj s MET 184 CO 0.07 -0.65 0.10 1.21 -2.03 0.00 0.00 175.02 173.72 2yuj s ASN 185 N -3.37 5.25 -0.16 -1.18 2.47 0.18 -5.01 114.94 113.12 2yuj s ASN 185 Ca 0.41 -0.89 -0.17 0.00 0.42 0.00 0.00 52.86 52.62 2yuj s ASN 185 Cb 0.02 -1.89 -0.04 0.00 -1.45 0.00 0.00 41.25 37.90 2yuj s ASN 185 CO 0.28 -0.26 0.45 -0.69 -3.72 0.00 0.00 177.10 173.16 2yuj s VAL 186 N 1.47 5.18 0.43 -5.21 1.01 -1.26 -1.48 120.40 120.55 2yuj s VAL 186 Ca 0.01 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.91 2yuj s VAL 186 Cb -0.18 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2yuj s VAL 186 CO 0.03 0.28 0.08 -1.81 0.00 0.00 0.00 175.10 173.68 2yuj s ASP 187 N 0.83 4.12 0.00 3.32 1.11 0.73 -4.97 116.67 121.82 2yuj s ASP 187 Ca 0.23 -1.33 0.02 0.00 0.18 0.00 0.00 52.55 51.66 2yuj s ASP 187 Cb -0.15 -0.23 -0.01 0.00 1.07 0.00 0.00 42.92 43.60 2yuj s ASP 187 CO 0.09 -0.58 -0.07 -0.36 1.18 0.00 0.00 175.17 175.43 2yuj s PHE 188 N -2.71 0.65 -0.80 4.23 0.40 -1.26 -1.67 117.98 116.81 2yuj s PHE 188 Ca 0.32 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 2yuj s PHE 188 Cb 0.06 -0.41 0.20 0.00 0.51 0.00 0.00 43.02 43.38 2yuj s PHE 188 CO 0.17 -0.02 0.66 0.34 0.70 0.00 0.00 175.22 177.08 2yuj s ASP 189 N -0.44 5.70 0.00 1.36 2.15 -0.38 -4.91 116.67 120.16 2yuj s ASP 189 Ca 0.01 -3.49 0.25 0.00 0.43 0.00 0.00 52.55 49.74 2yuj s ASP 189 Cb -0.04 -1.88 1.47 0.00 -0.30 0.00 0.00 42.92 42.17 2yuj s ASP 189 CO -0.00 -0.23 1.83 0.00 -0.17 0.00 0.00 175.17 176.60