#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 0.58 0.01 1.61 7.64 -1.26 -5.06 113.62 117.14 2yuj n SER 2 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2yuj n SER 2 Cb 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2yuj n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yuj n SER 3 N -3.07 0.01 0.00 6.43 2.88 -1.26 -5.04 113.62 113.57 2yuj n SER 3 Ca -0.04 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2yuj n SER 3 Cb 0.13 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2yuj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yuj n GLY 4 N 2.04 0.19 3.88 0.46 0.00 -1.26 -4.59 105.19 105.92 2yuj n GLY 4 Ca 0.00 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.35 2yuj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yuj s SER 5 N -4.00 6.56 -0.10 1.61 1.04 -1.26 -5.00 113.70 112.55 2yuj s SER 5 Ca 0.00 0.69 0.09 0.00 0.48 0.00 0.00 55.95 57.21 2yuj s SER 5 Cb 0.00 -2.13 -0.12 0.00 0.10 0.00 0.00 66.02 63.86 2yuj s SER 5 CO 0.00 0.11 0.03 -1.20 0.98 0.00 0.00 173.24 173.16 2yuj n SER 6 N 0.51 2.50 0.00 7.02 7.64 -1.26 -5.13 113.62 124.90 2yuj n SER 6 Ca -0.05 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2yuj n SER 6 Cb 0.52 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2yuj n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuj n GLY 7 N 2.40 0.13 3.54 0.23 0.00 -1.26 -5.02 105.19 105.21 2yuj n GLY 7 Ca -0.17 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.33 2yuj n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2yuj s ILE 8 N 0.00 3.84 -0.29 -0.61 -4.36 -1.26 -5.08 121.20 113.44 2yuj s ILE 8 Ca 0.00 -0.40 -0.29 0.00 -0.26 0.00 0.00 60.65 59.70 2yuj s ILE 8 Cb 0.00 -2.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.07 2yuj s ILE 8 CO 0.00 0.54 1.35 -2.16 0.24 0.00 0.00 174.94 174.91 2yuj s PRO 9 N -0.17 3.89 -0.31 0.37 0.04 -1.26 -4.99 135.00 132.58 2yuj s PRO 9 Ca 0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2yuj s PRO 9 Cb -0.13 -3.90 0.10 0.00 0.04 0.00 0.00 34.50 30.60 2yuj s PRO 9 CO 0.03 -1.15 0.07 0.50 0.04 0.00 0.00 177.00 176.49 2yuj s ARG 10 N 4.25 0.97 -0.42 4.56 6.06 -1.26 -4.97 118.95 128.13 2yuj s ARG 10 Ca 0.59 -1.25 0.05 0.00 -2.50 0.00 0.00 55.73 52.61 2yuj s ARG 10 Cb -0.18 -2.35 0.66 0.00 0.06 0.00 0.00 34.95 33.14 2yuj s ARG 10 CO 0.24 -0.94 1.87 1.33 -2.50 0.00 0.00 175.30 175.30 2yuj n VAL 11 N 4.69 3.12 -1.50 7.11 0.24 -1.26 -4.38 118.33 126.35 2yuj n VAL 11 Ca -0.01 -1.98 -0.06 0.00 -2.04 0.00 0.00 64.34 60.25 2yuj n VAL 11 Cb 0.42 -0.45 0.19 0.00 -1.47 0.00 0.00 33.84 32.54 2yuj n VAL 11 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2yuj n PHE 12 N -1.07 1.15 -4.15 6.34 3.72 -1.26 -5.00 117.46 117.20 2yuj n PHE 12 Ca 0.56 -1.67 -0.15 0.00 -0.05 0.00 0.00 57.45 56.14 2yuj n PHE 12 Cb 1.59 -0.50 -0.11 0.00 -0.94 0.00 0.00 39.48 39.52 2yuj n PHE 12 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2yuj s GLN 13 N -3.29 0.76 0.43 -1.08 -0.21 -1.26 -5.04 119.66 109.96 2yuj s GLN 13 Ca 0.45 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2yuj s GLN 13 Cb 0.41 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.91 2yuj s GLN 13 CO -0.01 0.09 0.00 -1.71 -2.12 0.00 0.00 175.29 171.54 2yuj n ASN 14 N 0.88 -3.09 -1.46 5.90 2.85 -1.26 -5.17 115.26 113.91 2yuj n ASN 14 Ca -0.18 0.80 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 2yuj n ASN 14 Cb 0.56 2.93 0.00 0.00 1.24 0.00 0.00 39.78 44.52 2yuj n ASN 14 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2yuj n ARG 15 N -3.48 -3.90 -2.17 1.20 0.63 -1.26 -4.74 116.66 102.94 2yuj n ARG 15 Ca 0.00 3.01 -0.42 0.00 -0.92 0.00 0.00 57.85 59.51 2yuj n ARG 15 Cb 0.00 -3.68 -0.03 0.00 0.45 0.00 0.00 32.46 29.20 2yuj n ARG 15 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 2yuj s PHE 16 N -4.95 2.39 -0.29 -0.14 2.19 -1.26 -4.96 117.98 110.95 2yuj s PHE 16 Ca 0.00 0.55 0.03 0.00 0.33 0.00 0.00 56.93 57.84 2yuj s PHE 16 Cb 0.00 -3.75 0.19 0.00 -1.31 0.00 0.00 43.02 38.15 2yuj s PHE 16 CO 0.00 -2.95 0.56 -1.54 1.83 0.00 0.00 175.22 173.11 2yuj s SER 17 N 2.68 -1.19 0.18 6.13 1.04 -1.22 -3.34 113.70 117.97 2yuj s SER 17 Ca 0.66 0.27 -0.23 0.00 0.48 0.00 0.00 55.95 57.13 2yuj s SER 17 Cb -0.29 1.89 0.08 0.00 0.10 0.00 0.00 66.02 67.79 2yuj s SER 17 CO 0.24 -0.30 1.04 0.28 0.98 0.00 0.00 173.24 175.48 2yuj s THR 18 N 2.78 0.00 -0.24 2.02 -1.32 -1.21 -5.00 115.64 112.68 2yuj s THR 18 Ca 0.13 -0.59 -0.07 0.00 -1.21 0.00 0.00 61.69 59.94 2yuj s THR 18 Cb -0.12 -2.78 -0.03 0.00 -1.51 0.00 0.00 72.50 68.06 2yuj s THR 18 CO -0.25 0.00 0.07 -1.10 -2.21 0.00 0.00 174.62 171.13 2yuj s GLN 19 N -2.29 3.73 0.14 7.08 -0.21 -1.26 -1.77 119.66 125.08 2yuj s GLN 19 Ca 0.21 -0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.24 2yuj s GLN 19 Cb -0.02 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 2yuj s GLN 19 CO 0.05 -0.09 -0.21 0.71 -2.12 0.00 0.00 175.29 173.63 2yuj s TYR 20 N 1.37 2.44 0.07 0.91 2.02 -1.15 -4.85 117.35 118.16 2yuj s TYR 20 Ca 0.05 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.22 2yuj s TYR 20 Cb -0.15 -1.28 -0.06 0.00 -0.40 0.00 0.00 41.96 40.07 2yuj s TYR 20 CO 0.04 0.40 0.69 1.03 -1.57 0.00 0.00 175.55 176.14 2yuj s ARG 21 N -2.26 4.42 -0.24 -0.62 0.52 -1.24 -2.17 118.95 117.36 2yuj s ARG 21 Ca 0.18 0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 56.26 2yuj s ARG 21 Cb -0.10 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 2yuj s ARG 21 CO 0.09 0.45 0.09 0.00 0.02 0.00 0.00 175.30 175.96 2yuj s PHE 23 N 1.28 1.24 0.52 0.00 0.08 -1.00 -2.89 117.98 117.20 2yuj s PHE 23 Ca 0.05 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 56.14 2yuj s PHE 23 Cb -0.15 -0.64 -0.07 0.00 -0.57 0.00 0.00 43.02 41.59 2yuj s PHE 23 CO 0.04 0.05 1.01 0.45 -0.10 0.00 0.00 175.22 176.68 2yuj s SER 24 N -3.16 6.36 0.60 1.36 0.15 -1.26 -1.83 113.70 115.92 2yuj s SER 24 Ca 0.17 1.75 0.38 0.00 0.70 0.00 0.00 55.95 58.94 2yuj s SER 24 Cb 0.03 -2.53 1.88 0.00 -1.71 0.00 0.00 66.02 63.69 2yuj s SER 24 CO 0.00 -0.77 2.19 -0.37 1.20 0.00 0.00 173.24 175.49 2yuj h VAL 25 N 1.09 0.12 0.00 4.45 -1.51 -1.88 -2.18 116.25 116.34 2yuj h VAL 25 Ca -0.48 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2yuj h VAL 25 Cb 1.20 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2yuj h VAL 25 CO 0.60 0.02 0.00 0.28 -1.23 0.00 0.00 177.57 177.24 2yuj h SER 26 N 0.00 0.00 -0.41 4.19 0.02 -1.94 -0.69 113.55 114.73 2yuj h SER 26 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2yuj h SER 26 Cb 0.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2yuj h SER 26 CO 0.00 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 175.93 2yuj n MET 27 N -2.90 3.75 -3.02 3.45 2.00 -0.82 -4.92 117.12 114.66 2yuj n MET 27 Ca -0.02 -2.22 -0.40 0.00 0.00 0.00 0.00 57.70 55.06 2yuj n MET 27 Cb 0.09 -2.04 -0.05 0.00 0.00 0.00 0.00 33.22 31.21 2yuj n MET 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2yuj s LEU 28 N -1.95 4.46 0.25 4.03 1.98 -0.27 -5.01 118.68 122.18 2yuj s LEU 28 Ca 0.39 1.43 -0.31 0.00 -2.89 0.00 0.00 54.13 52.74 2yuj s LEU 28 Cb 0.29 -3.19 -0.13 0.00 0.66 0.00 0.00 46.19 43.83 2yuj s LEU 28 CO 0.11 0.05 1.45 0.00 -1.89 0.00 0.00 176.35 176.08 2yuj n ALA 29 N 2.64 1.45 0.00 5.97 0.00 -1.26 -4.86 120.51 124.45 2yuj n ALA 29 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2yuj n ALA 29 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 2.19 3.68 0.19 0.00 0.00 -1.26 -4.92 105.19 105.06 2yuj n GLY 30 Ca 0.11 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 -2.14 1.61 0.13 -2.03 -3.45 132.00 126.12 2yuj h PRO 31 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2yuj h PRO 31 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2yuj h PRO 31 CO 0.00 0.39 0.10 1.21 -0.23 0.00 0.00 178.00 179.46 2yuj s ASN 32 N -6.67 -0.64 0.89 1.44 3.84 -1.26 -5.18 114.94 107.37 2yuj s ASN 32 Ca -0.02 0.96 -0.09 0.00 0.21 0.00 0.00 52.86 53.92 2yuj s ASN 32 Cb 0.13 0.90 0.17 0.00 -0.55 0.00 0.00 41.25 41.90 2yuj s ASN 32 CO 0.70 -0.42 1.06 -0.90 -2.79 0.00 0.00 177.10 174.75 2yuj n ASP 33 N 1.78 0.48 -4.27 -4.21 5.75 -1.26 -5.08 116.55 109.74 2yuj n ASP 33 Ca -0.17 -1.63 -0.26 0.00 -0.01 0.00 0.00 54.79 52.72 2yuj n ASP 33 Cb 0.56 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 39.74 2yuj n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2yuj s ARG 34 N -5.27 1.45 -0.46 0.11 1.81 -1.26 -5.03 118.95 110.31 2yuj s ARG 34 Ca 0.63 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.69 2yuj s ARG 34 Cb -0.02 -1.59 0.60 0.00 -0.45 0.00 0.00 34.95 33.49 2yuj s ARG 34 CO 0.43 0.40 1.90 0.45 -0.68 0.00 0.00 175.30 177.80 2yuj n SER 35 N 1.81 4.34 -0.09 0.23 2.88 -1.26 -4.24 113.62 117.30 2yuj n SER 35 Ca -0.17 -3.55 -0.11 0.00 -1.33 0.00 0.00 58.87 53.71 2yuj n SER 35 Cb 0.53 -0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 62.99 2yuj n SER 35 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuj n ASP 36 N -1.01 0.40 0.12 -3.46 2.03 -1.26 -3.97 116.55 109.40 2yuj n ASP 36 Ca 0.57 0.05 -0.02 0.00 0.52 0.00 0.00 54.79 55.92 2yuj n ASP 36 Cb 1.45 0.64 0.21 0.00 -0.72 0.00 0.00 41.12 42.71 2yuj n ASP 36 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2yuj h VAL 37 N 0.00 1.36 -0.09 5.18 2.07 -1.92 -3.04 116.25 119.80 2yuj h VAL 37 Ca -0.51 -1.76 -0.20 0.00 0.82 0.00 0.00 66.70 65.05 2yuj h VAL 37 Cb 2.17 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 33.83 2yuj h VAL 37 CO 0.03 0.51 -0.76 -0.33 0.02 0.00 0.00 177.57 177.04 2yuj h GLU 38 N 0.10 0.50 -0.33 1.57 5.08 -1.84 -3.13 114.58 116.54 2yuj h GLU 38 Ca 0.00 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2yuj h GLU 38 Cb 0.93 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2yuj h GLU 38 CO 0.07 1.05 0.20 0.87 -1.00 0.00 0.00 179.01 180.21 2yuj h LYS 39 N 0.34 0.43 0.00 2.33 1.57 -1.66 -3.44 116.57 116.14 2yuj h LYS 39 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2yuj h LYS 39 Cb 1.36 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2yuj h LYS 39 CO 0.14 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 2yuj n GLY 40 N -1.44 4.12 1.10 3.86 0.00 -1.18 -4.70 105.19 106.95 2yuj n GLY 40 Ca 0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.90 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 5.00 5.23 3.90 -0.02 0.00 -1.26 -4.93 105.19 113.11 2yuj n GLY 41 Ca 0.00 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 2yuj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuj s LYS 42 N -3.32 3.59 0.38 1.61 -0.14 -1.26 -2.58 119.74 118.03 2yuj s LYS 42 Ca 0.44 0.22 0.06 0.00 -1.36 0.00 0.00 55.97 55.33 2yuj s LYS 42 Cb 0.40 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 2yuj s LYS 42 CO -0.02 -0.13 0.23 0.44 -0.76 0.00 0.00 175.35 175.10 2yuj n ILE 43 N -1.96 0.00 -3.80 2.17 -5.35 -0.66 -4.39 119.36 105.38 2yuj n ILE 43 Ca 0.01 -2.50 -0.29 0.00 -0.27 0.00 0.00 62.75 59.69 2yuj n ILE 43 Cb 0.55 1.09 -0.15 0.00 -1.74 0.00 0.00 39.64 39.38 2yuj n ILE 43 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2yuj s ILE 44 N -3.29 1.02 0.19 7.28 1.09 -0.89 -2.67 121.20 123.94 2yuj s ILE 44 Ca 0.32 -1.23 0.04 0.00 -1.10 0.00 0.00 60.65 58.69 2yuj s ILE 44 Cb 0.02 -1.61 -0.03 0.00 -1.06 0.00 0.00 42.46 39.77 2yuj s ILE 44 CO 0.23 -0.44 0.26 -0.32 -0.10 0.00 0.00 174.94 174.57 2yuj s MET 45 N 1.58 3.25 0.45 2.79 1.75 -1.04 -2.19 119.30 125.88 2yuj s MET 45 Ca 0.04 -0.77 -0.23 0.00 -1.25 0.00 0.00 55.69 53.48 2yuj s MET 45 Cb -0.18 -2.82 -0.10 0.00 2.84 0.00 0.00 34.83 34.58 2yuj s MET 45 CO -0.16 0.47 0.95 -2.30 -0.65 0.00 0.00 175.02 173.32 2yuj n PRO 46 N -0.85 1.20 -0.07 4.11 -0.02 -1.26 -2.64 135.00 135.46 2yuj n PRO 46 Ca -0.08 0.43 0.22 0.00 -2.02 0.00 0.00 63.50 62.05 2yuj n PRO 46 Cb 0.56 -2.00 0.67 0.00 -0.02 0.00 0.00 33.50 32.71 2yuj n PRO 46 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2yuj h PRO 47 N 1.30 0.06 -0.53 0.52 0.11 -1.72 -0.02 132.00 131.72 2yuj h PRO 47 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2yuj h PRO 47 Cb 1.35 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 2yuj h PRO 47 CO 0.55 0.04 0.31 0.66 -0.21 0.00 0.00 178.00 179.35 2yuj h SER 48 N 0.06 0.63 -0.00 -2.05 4.64 -1.92 -1.61 113.55 113.29 2yuj h SER 48 Ca 0.31 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2yuj h SER 48 Cb 1.17 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2yuj h SER 48 CO -0.02 0.49 -0.04 0.00 -0.87 0.00 0.00 176.83 176.39 2yuj h ALA 49 N 1.62 1.78 -0.76 5.18 0.00 -1.32 -1.43 119.26 124.32 2yuj h ALA 49 Ca 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2yuj h ALA 49 Cb -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2yuj h ALA 49 CO -0.04 0.17 0.31 1.25 0.00 0.00 0.00 179.25 180.95 2yuj h LEU 50 N 0.12 1.04 -0.05 0.00 5.85 -1.37 -2.27 115.31 118.64 2yuj h LEU 50 Ca 0.03 -0.16 -0.23 0.00 0.84 0.00 0.00 57.88 58.36 2yuj h LEU 50 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2yuj h LEU 50 CO 0.01 0.92 -1.05 -0.78 -0.34 0.00 0.00 178.44 177.20 2yuj h ASP 51 N 1.11 0.25 -0.82 1.25 3.58 -1.43 -3.27 116.42 117.10 2yuj h ASP 51 Ca 0.26 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2yuj h ASP 51 Cb 0.20 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.13 2yuj h ASP 51 CO -0.02 1.14 0.47 -0.61 -2.88 0.00 0.00 179.24 177.34 2yuj h GLN 52 N 0.07 1.13 -0.35 0.28 5.75 -0.99 -2.56 115.11 118.44 2yuj h GLN 52 Ca -0.07 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 2yuj h GLN 52 Cb 1.75 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 30.05 2yuj h GLN 52 CO 0.16 0.81 0.20 -0.07 -2.65 0.00 0.00 178.83 177.28 2yuj h LEU 53 N 1.14 0.43 -1.89 -2.39 3.38 -1.47 0.25 115.31 114.77 2yuj h LEU 53 Ca 0.29 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2yuj h LEU 53 Cb -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2yuj h LEU 53 CO -0.05 0.38 0.06 0.28 0.09 0.00 0.00 178.44 179.20 2yuj h SER 54 N 0.45 0.11 1.22 -0.43 0.02 -1.55 -1.11 113.55 112.26 2yuj h SER 54 Ca 0.12 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 2yuj h SER 54 Cb 0.04 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2yuj h SER 54 CO -0.02 0.09 -0.80 0.03 -1.14 0.00 0.00 176.83 174.98 2yuj h ARG 55 N 0.13 0.00 -0.16 3.45 3.08 -1.01 -3.22 114.38 116.66 2yuj h ARG 55 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2yuj h ARG 55 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2yuj h ARG 55 CO -0.01 0.57 0.00 1.28 -1.07 0.00 0.00 179.97 180.74 2yuj n LEU 56 N -3.19 1.22 -2.57 3.04 4.77 0.02 -4.89 117.00 115.40 2yuj n LEU 56 Ca -0.01 -0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 2yuj n LEU 56 Cb 0.81 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2yuj n LEU 56 CO 0.42 0.27 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.36 2yuj n ASN 57 N 0.07 -5.90 -4.67 -1.43 5.15 -0.92 -4.96 115.26 102.60 2yuj n ASN 57 Ca 0.13 -0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.65 2yuj n ASN 57 Cb 0.24 -4.88 -0.08 0.00 -0.53 0.00 0.00 39.78 34.53 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2yuj s ILE 58 N -3.06 5.21 0.42 -1.44 1.01 -0.78 -5.06 121.20 117.50 2yuj s ILE 58 Ca 0.08 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.47 2yuj s ILE 58 Cb -0.04 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2yuj s ILE 58 CO 0.10 0.26 0.29 0.42 0.00 0.00 0.00 174.94 176.00 2yuj s THR 59 N 1.30 2.42 0.38 2.92 -4.23 -1.26 -4.59 115.64 112.58 2yuj s THR 59 Ca 0.18 -1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 58.90 2yuj s THR 59 Cb -0.15 -2.94 -0.10 0.00 1.34 0.00 0.00 72.50 70.66 2yuj s THR 59 CO 0.08 0.00 1.35 -0.47 -0.54 0.00 0.00 174.62 175.03 2yuj s TYR 60 N -2.55 2.83 0.76 3.99 5.04 -1.26 -4.16 117.35 122.00 2yuj s TYR 60 Ca 0.44 1.36 -0.11 0.00 -2.44 0.00 0.00 57.07 56.31 2yuj s TYR 60 Cb 0.00 -3.76 0.05 0.00 0.35 0.00 0.00 41.96 38.60 2yuj s TYR 60 CO 0.25 -2.23 1.10 -1.25 -1.34 0.00 0.00 175.55 172.07 2yuj s PRO 61 N -2.06 2.42 -0.57 4.97 0.04 -1.26 -5.14 135.00 133.40 2yuj s PRO 61 Ca 0.53 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.20 2yuj s PRO 61 Cb -0.41 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.40 2yuj s PRO 61 CO 0.54 -1.37 0.61 -1.33 0.04 0.00 0.00 177.00 175.49 2yuj n MET 62 N -3.25 1.75 -3.42 4.56 2.81 -1.26 -5.01 117.12 113.30 2yuj n MET 62 Ca 0.07 -4.15 -0.32 0.00 -1.81 0.00 0.00 57.70 51.48 2yuj n MET 62 Cb 0.57 -1.96 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.74 4.20 -0.01 4.03 1.43 -1.26 -3.54 118.68 121.78 2yuj s LEU 63 Ca 0.35 0.93 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 2yuj s LEU 63 Cb 0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2yuj s LEU 63 CO -0.08 -0.04 -0.11 -0.36 0.23 0.00 0.00 176.35 175.98 2yuj s PHE 64 N -1.76 2.78 -0.54 0.29 0.08 -0.24 -3.61 117.98 114.98 2yuj s PHE 64 Ca 0.46 -0.11 -0.19 0.00 0.12 0.00 0.00 56.93 57.21 2yuj s PHE 64 Cb -0.12 -1.59 0.08 0.00 -0.57 0.00 0.00 43.02 40.82 2yuj s PHE 64 CO 0.21 0.30 0.63 0.21 -0.10 0.00 0.00 175.22 176.47 2yuj s LYS 65 N -1.20 3.08 -1.21 0.44 2.20 0.28 -2.20 119.74 121.13 2yuj s LYS 65 Ca 0.15 -1.09 -0.11 0.00 -0.36 0.00 0.00 55.97 54.55 2yuj s LYS 65 Cb -0.11 -4.17 0.19 0.00 -1.51 0.00 0.00 37.83 32.24 2yuj s LYS 65 CO 0.05 -1.33 1.54 1.28 -0.36 0.00 0.00 175.35 176.53 2yuj n LEU 66 N 6.14 5.79 -4.55 5.43 4.77 -1.24 -1.26 117.00 132.08 2yuj n LEU 66 Ca -0.08 -4.65 -0.40 0.00 -0.03 0.00 0.00 56.01 50.85 2yuj n LEU 66 Cb 0.44 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 2yuj n LEU 66 CO 0.55 1.08 1.31 -0.89 -1.33 0.00 0.00 177.39 178.11 2yuj s THR 67 N 0.50 3.70 -0.12 -5.08 2.01 -0.92 -3.51 115.64 112.22 2yuj s THR 67 Ca 0.39 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2yuj s THR 67 Cb 0.01 -4.77 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 2yuj s THR 67 CO 0.00 -1.70 1.76 0.21 -0.69 0.00 0.00 174.62 174.20 2yuj s ASN 68 N 4.83 6.38 -0.52 3.53 2.47 0.13 -3.85 114.94 127.91 2yuj s ASN 68 Ca 0.44 2.04 -0.03 0.00 0.42 0.00 0.00 52.86 55.72 2yuj s ASN 68 Cb -0.07 -2.53 0.12 0.00 -1.45 0.00 0.00 41.25 37.32 2yuj s ASN 68 CO 0.09 -1.20 2.63 0.29 -3.72 0.00 0.00 177.10 175.19 2yuj n LYS 69 N 7.59 2.45 0.00 0.43 5.02 -1.26 -2.88 118.16 129.51 2yuj n LYS 69 Ca 0.20 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.95 2yuj n LYS 69 Cb 0.44 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 2yuj n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2yuj n ASN 70 N 0.61 0.74 -1.10 4.39 3.02 -1.26 -4.90 115.26 116.77 2yuj n ASN 70 Ca 0.49 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 55.09 2yuj n ASN 70 Cb 0.50 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.75 2yuj n ASN 70 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2yuj n SER 71 N -2.45 1.19 -3.02 6.41 7.64 -1.26 -4.97 113.62 117.16 2yuj n SER 71 Ca 0.00 -2.61 -0.22 0.00 1.01 0.00 0.00 58.87 57.05 2yuj n SER 71 Cb 0.24 -0.37 0.03 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.10 -5.70 -4.90 6.43 9.92 -1.22 -4.97 116.55 116.02 2yuj n ASP 72 Ca 0.10 -0.27 -0.29 0.00 -0.53 0.00 0.00 54.79 53.80 2yuj n ASP 72 Cb 0.96 -4.63 -0.02 0.00 -0.64 0.00 0.00 41.12 36.78 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 -5.69 3.66 -0.25 -1.24 1.81 -1.14 -4.96 118.95 111.14 2yuj s ARG 73 Ca 0.29 0.21 -0.21 0.00 -1.72 0.00 0.00 55.73 54.30 2yuj s ARG 73 Cb -0.13 -2.48 0.07 0.00 -0.45 0.00 0.00 34.95 31.95 2yuj s ARG 73 CO 0.36 0.01 0.66 1.41 -0.68 0.00 0.00 175.30 177.06 2yuj s MET 74 N -4.00 0.74 -0.30 3.54 -2.45 -1.26 -0.69 119.30 114.88 2yuj s MET 74 Ca 0.47 0.97 -0.00 0.00 -1.25 0.00 0.00 55.69 55.88 2yuj s MET 74 Cb -0.10 0.31 0.19 0.00 1.25 0.00 0.00 34.83 36.48 2yuj s MET 74 CO 0.34 -0.11 0.60 -0.08 1.05 0.00 0.00 175.02 176.83 2yuj s THR 75 N 0.64 -1.00 -0.22 10.11 -1.32 -1.23 -4.90 115.64 117.73 2yuj s THR 75 Ca -0.02 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 2yuj s THR 75 Cb -0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 2yuj s THR 75 CO -0.04 0.00 1.25 -1.00 -2.21 0.00 0.00 174.62 172.63 2yuj s HIS 76 N 2.86 2.84 0.05 9.09 3.76 -1.26 -3.67 115.29 128.95 2yuj s HIS 76 Ca 0.20 1.00 0.05 0.00 -0.15 0.00 0.00 55.06 56.16 2yuj s HIS 76 Cb -0.14 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 29.89 2yuj s HIS 76 CO -0.22 -1.59 -0.08 0.00 -0.85 0.00 0.00 174.74 172.01 2yuj s GLY 78 N -1.83 2.21 0.31 0.00 0.00 -1.06 -1.08 107.32 105.86 2yuj s GLY 78 Ca 0.20 -0.71 -0.06 0.00 0.00 0.00 0.00 44.72 44.15 2yuj s GLY 78 CO 0.11 -0.65 0.59 0.54 0.00 0.00 0.00 173.10 173.69 2yuj s VAL 79 N -1.56 4.97 0.22 1.40 0.11 -1.23 -1.66 120.40 122.65 2yuj s VAL 79 Ca 0.37 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2yuj s VAL 79 Cb -0.13 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2yuj s VAL 79 CO 0.26 -0.35 0.00 -0.11 -3.33 0.00 0.00 175.10 171.57 2yuj n LEU 80 N -0.96 -0.88 -4.84 2.54 7.94 -1.16 -4.77 117.00 114.87 2yuj n LEU 80 Ca -0.01 0.39 -0.34 0.00 -1.11 0.00 0.00 56.01 54.94 2yuj n LEU 80 Cb 0.54 0.98 -0.06 0.00 0.53 0.00 0.00 43.42 45.41 2yuj n LEU 80 CO 0.48 -0.47 -0.20 -1.61 -1.11 0.00 0.00 177.39 174.47 2yuj s GLU 81 N -2.00 3.29 -0.64 1.96 8.01 -1.09 -5.06 118.70 123.18 2yuj s GLU 81 Ca 0.00 -0.33 0.05 0.00 0.01 0.00 0.00 54.97 54.70 2yuj s GLU 81 Cb 0.00 -3.02 0.20 0.00 -4.31 0.00 0.00 34.13 26.99 2yuj s GLU 81 CO 0.00 0.69 0.55 1.19 0.01 0.00 0.00 175.26 177.70 2yuj n PHE 82 N 1.36 2.67 -2.28 1.61 3.72 -1.26 -2.49 117.46 120.78 2yuj n PHE 82 Ca -0.14 -4.11 -0.02 0.00 -0.05 0.00 0.00 57.45 53.13 2yuj n PHE 82 Cb 0.53 -0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 1.73 0.06 -2.89 -4.37 0.24 -1.08 -4.12 118.33 107.89 2yuj n VAL 83 Ca 0.24 -0.60 -0.33 0.00 -2.04 0.00 0.00 64.34 61.61 2yuj n VAL 83 Cb 0.39 0.77 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.17 3.11 1.13 2.33 0.00 -1.11 -4.90 121.76 122.14 2yuj s ALA 84 Ca 0.16 0.31 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 2yuj s ALA 84 Cb 0.20 -3.06 0.25 0.00 0.00 0.00 0.00 23.12 20.52 2yuj s ALA 84 CO -0.08 0.17 1.08 -0.51 0.00 0.00 0.00 175.76 176.42 2yuj s ASP 85 N -2.23 1.51 -0.17 0.00 1.01 -1.19 -4.04 116.67 111.56 2yuj s ASP 85 Ca 0.60 1.01 -0.29 0.00 0.71 0.00 0.00 52.55 54.58 2yuj s ASP 85 Cb -0.09 -1.54 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2yuj s ASP 85 CO 0.15 -3.80 1.68 -1.61 0.21 0.00 0.00 175.17 171.80 2yuj s GLU 86 N -5.04 3.84 -1.16 8.23 2.02 -1.26 -2.39 118.70 122.93 2yuj s GLU 86 Ca 0.68 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.51 2yuj s GLU 86 Cb -0.16 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 30.01 2yuj s GLU 86 CO 0.58 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 175.03 2yuj n GLY 87 N 4.62 -0.16 2.57 -1.39 0.00 -1.26 -4.98 105.19 104.59 2yuj n GLY 87 Ca 0.19 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.67 -0.05 -0.15 -0.61 1.01 -1.01 -3.70 121.20 114.01 2yuj s ILE 88 Ca 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 2yuj s ILE 88 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2yuj s ILE 88 CO 0.00 -0.82 0.36 0.00 0.00 0.00 0.00 174.94 174.48 2yuj s TYR 90 N 0.62 3.78 0.06 0.00 2.02 -0.93 -2.38 117.35 120.52 2yuj s TYR 90 Ca 0.20 1.27 0.01 0.00 -0.37 0.00 0.00 57.07 58.17 2yuj s TYR 90 Cb -0.14 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 2yuj s TYR 90 CO 0.06 0.55 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.03 2yuj s LEU 91 N -1.28 2.40 1.11 -1.29 1.43 -0.76 -2.09 118.68 118.20 2yuj s LEU 91 Ca 0.31 -0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 2yuj s LEU 91 Cb -0.19 -0.01 0.23 0.00 0.03 0.00 0.00 46.19 46.26 2yuj s LEU 91 CO 0.19 -0.41 0.51 -2.65 0.23 0.00 0.00 176.35 174.23 2yuj n PRO 92 N 0.63 -2.98 -0.03 1.29 -0.02 -1.26 -3.87 135.00 128.76 2yuj n PRO 92 Ca -0.17 -0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 60.21 2yuj n PRO 92 Cb 0.58 -1.57 -0.13 0.00 -0.02 0.00 0.00 33.50 32.36 2yuj n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2yuj h HIS 93 N -2.99 0.30 -0.51 6.00 2.76 -1.90 -3.27 115.15 115.54 2yuj h HIS 93 Ca -0.26 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2yuj h HIS 93 Cb 0.85 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 2yuj h HIS 93 CO -3.47 1.54 0.32 0.11 -1.30 0.00 0.00 177.93 175.14 2yuj h TRP 94 N -0.49 0.65 -0.47 5.26 5.08 -1.93 -1.64 115.95 122.41 2yuj h TRP 94 Ca -0.32 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.66 2yuj h TRP 94 Cb 1.63 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 27.55 2yuj h TRP 94 CO 0.12 0.42 0.31 1.98 -1.28 0.00 0.00 178.44 179.99 2yuj h MET 95 N 0.68 0.63 0.19 0.12 4.05 -1.89 -0.05 114.93 118.66 2yuj h MET 95 Ca 0.18 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2yuj h MET 95 Cb -0.05 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.61 2yuj h MET 95 CO -0.04 0.42 -0.09 0.52 0.23 0.00 0.00 176.91 177.95 2yuj h MET 96 N 0.65 -0.25 -0.64 0.39 2.86 -1.44 -2.37 114.93 114.13 2yuj h MET 96 Ca 0.17 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2yuj h MET 96 Cb -0.06 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2yuj h MET 96 CO -0.04 0.12 0.42 0.37 1.06 0.00 0.00 176.91 178.84 2yuj h GLN 97 N -0.69 0.84 -0.08 1.72 4.15 -1.10 0.12 115.11 120.07 2yuj h GLN 97 Ca -0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2yuj h GLN 97 Cb 0.49 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 2yuj h GLN 97 CO 0.04 0.55 0.04 -0.97 -1.93 0.00 0.00 178.83 176.57 2yuj h ASN 98 N 0.86 0.10 1.31 -0.69 -1.24 -0.99 -2.50 115.58 112.44 2yuj h ASN 98 Ca 0.23 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.13 2yuj h ASN 98 Cb -0.10 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 38.92 2yuj h ASN 98 CO -0.05 0.19 0.00 -0.07 -1.29 0.00 0.00 177.43 176.21 2yuj h LEU 99 N 0.01 0.00 0.90 0.34 3.38 -1.03 -3.47 115.31 115.44 2yuj h LEU 99 Ca 0.03 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.61 2yuj h LEU 99 Cb 0.11 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.92 2yuj h LEU 99 CO -0.00 0.00 -0.58 0.18 0.09 0.00 0.00 178.44 178.13 2yuj n LEU 100 N -2.63 -2.64 0.00 1.67 4.77 0.38 -4.98 117.00 113.57 2yuj n LEU 100 Ca 0.03 -0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 55.48 2yuj n LEU 100 Cb 0.38 -2.85 0.18 0.00 -2.33 0.00 0.00 43.42 38.79 2yuj n LEU 100 CO 0.28 0.22 0.76 0.18 -1.33 0.00 0.00 177.39 177.50 2yuj n LEU 101 N -3.83 0.00 0.00 2.23 4.77 -1.16 -5.05 117.00 113.95 2yuj n LEU 101 Ca -0.11 -1.32 -0.19 0.00 -0.03 0.00 0.00 56.01 54.37 2yuj n LEU 101 Cb 0.61 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2yuj n LEU 101 CO 0.45 -1.32 -0.11 1.21 -1.33 0.00 0.00 177.39 176.29 2yuj n GLU 102 N -3.44 0.50 -1.66 3.23 4.07 -1.26 -4.94 120.64 117.13 2yuj n GLU 102 Ca 0.15 -2.82 -0.42 0.00 -0.06 0.00 0.00 57.16 54.01 2yuj n GLU 102 Cb 0.51 1.89 -0.03 0.00 -0.06 0.00 0.00 31.44 33.75 2yuj n GLU 102 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2yuj n GLU 103 N -0.65 2.88 -1.97 5.31 0.28 -1.26 -1.38 120.64 123.85 2yuj n GLU 103 Ca 0.00 1.06 -0.09 0.00 -0.16 0.00 0.00 57.16 57.97 2yuj n GLU 103 Cb 0.50 -3.01 -0.01 0.00 1.43 0.00 0.00 31.44 30.36 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 4.52 0.24 3.59 -1.84 0.00 -1.14 -4.95 105.19 105.60 2yuj n GLY 104 Ca 0.20 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.68 0.76 -0.02 -0.02 0.00 -0.48 -4.64 107.32 100.25 2yuj s GLY 105 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 2yuj s GLY 105 CO 0.00 3.14 1.48 1.08 0.00 0.00 0.00 173.10 178.79 2yuj s LEU 106 N 6.88 4.31 0.05 0.66 1.43 -1.25 -2.95 118.68 127.82 2yuj s LEU 106 Ca 0.71 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 56.02 2yuj s LEU 106 Cb -0.17 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2yuj s LEU 106 CO 0.30 -0.79 -0.20 -0.69 0.23 0.00 0.00 176.35 175.20 2yuj s VAL 107 N 2.90 1.58 -0.43 -1.59 1.01 -0.92 -4.89 120.40 118.07 2yuj s VAL 107 Ca 0.66 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2yuj s VAL 107 Cb -0.32 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2yuj s VAL 107 CO 0.27 0.13 1.52 -1.58 0.00 0.00 0.00 175.10 175.44 2yuj s GLN 108 N -1.29 3.43 -0.25 2.72 2.00 -1.25 -2.95 119.66 122.06 2yuj s GLN 108 Ca 0.06 0.96 -0.15 0.00 -2.00 0.00 0.00 55.36 54.23 2yuj s GLN 108 Cb -0.09 -4.10 -0.04 0.00 0.80 0.00 0.00 33.01 29.58 2yuj s GLN 108 CO 0.02 -1.75 0.35 0.08 -0.50 0.00 0.00 175.29 173.49 2yuj s VAL 109 N 6.06 5.20 -0.14 1.34 1.01 -0.73 -2.16 120.40 130.97 2yuj s VAL 109 Ca 0.64 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 2yuj s VAL 109 Cb -0.15 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2yuj s VAL 109 CO 0.31 0.20 0.02 -1.61 0.00 0.00 0.00 175.10 174.01 2yuj s GLU 110 N 1.81 0.68 -0.33 2.72 2.02 -0.39 -3.29 118.70 121.93 2yuj s GLU 110 Ca 0.15 -0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 2yuj s GLU 110 Cb -0.15 -1.63 0.01 0.00 0.10 0.00 0.00 34.13 32.46 2yuj s GLU 110 CO 0.09 -0.49 1.21 -1.54 0.02 0.00 0.00 175.26 174.55 2yuj s SER 111 N 1.90 6.75 0.04 -0.19 1.04 -1.21 0.99 113.70 123.01 2yuj s SER 111 Ca 0.02 1.06 0.08 0.00 0.48 0.00 0.00 55.95 57.59 2yuj s SER 111 Cb -0.15 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2yuj s SER 111 CO -0.07 -1.04 -0.23 0.68 0.98 0.00 0.00 173.24 173.56 2yuj s VAL 112 N 4.15 1.87 -0.59 5.02 -7.23 -1.24 -4.74 120.40 117.65 2yuj s VAL 112 Ca 0.52 -1.25 -0.21 0.00 -1.81 0.00 0.00 61.98 59.22 2yuj s VAL 112 Cb -0.14 -1.61 0.07 0.00 0.56 0.00 0.00 36.38 35.26 2yuj s VAL 112 CO 0.22 0.30 0.83 0.21 -0.31 0.00 0.00 175.10 176.35 2yuj s ASN 113 N -1.13 6.22 0.41 4.85 3.04 -1.26 -4.65 114.94 122.42 2yuj s ASN 113 Ca 0.09 -0.92 0.07 0.00 0.04 0.00 0.00 52.86 52.15 2yuj s ASN 113 Cb -0.09 -2.37 0.01 0.00 -1.54 0.00 0.00 41.25 37.25 2yuj s ASN 113 CO 0.02 -1.20 0.56 -0.76 -3.04 0.00 0.00 177.10 172.67 2yuj s LEU 114 N 3.43 3.71 0.44 3.21 1.43 -1.26 -5.10 118.68 124.54 2yuj s LEU 114 Ca 0.20 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2yuj s LEU 114 Cb -0.18 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2yuj s LEU 114 CO 0.12 -0.71 0.14 -1.10 0.23 0.00 0.00 176.35 175.03 2yuj s GLN 115 N -4.34 2.17 0.34 1.70 1.11 -1.26 -4.62 119.66 114.77 2yuj s GLN 115 Ca 0.53 -2.01 -0.28 0.00 0.01 0.00 0.00 55.36 53.61 2yuj s GLN 115 Cb -0.10 -1.85 -0.10 0.00 -1.01 0.00 0.00 33.01 29.95 2yuj s GLN 115 CO 0.33 -0.20 1.27 0.14 0.01 0.00 0.00 175.29 176.84 2yuj s VAL 116 N -2.69 2.83 0.37 1.09 -7.23 -1.22 -0.59 120.40 112.98 2yuj s VAL 116 Ca 0.33 0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 61.12 2yuj s VAL 116 Cb 0.04 -3.51 -0.10 0.00 0.56 0.00 0.00 36.38 33.37 2yuj s VAL 116 CO 0.18 0.17 0.88 0.00 -0.31 0.00 0.00 175.10 176.03 2yuj s ALA 117 N -1.19 3.16 -0.11 1.32 0.00 -1.26 -4.70 121.76 118.98 2yuj s ALA 117 Ca 0.50 0.31 0.08 0.00 0.00 0.00 0.00 51.96 52.86 2yuj s ALA 117 Cb -0.38 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 2yuj s ALA 117 CO 0.50 0.20 0.01 0.25 0.00 0.00 0.00 175.76 176.72 2yuj n THR 118 N -0.31 0.73 -3.69 0.00 -2.24 -1.20 -4.61 114.28 102.96 2yuj n THR 118 Ca 0.05 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 2yuj n THR 118 Cb 0.53 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.26 1.73 -0.51 4.78 5.04 -1.26 -0.02 117.35 124.85 2yuj s TYR 119 Ca -0.07 -2.09 -0.01 0.00 -2.44 0.00 0.00 57.07 52.45 2yuj s TYR 119 Cb 0.03 -1.71 0.13 0.00 0.35 0.00 0.00 41.96 40.77 2yuj s TYR 119 CO 0.41 -0.82 0.30 -1.12 -1.34 0.00 0.00 175.55 172.98 2yuj s SER 120 N 0.87 5.07 0.29 4.32 0.01 -1.20 -1.98 113.70 121.08 2yuj s SER 120 Ca 0.15 -2.54 -0.28 0.00 1.31 0.00 0.00 55.95 54.59 2yuj s SER 120 Cb -0.22 -1.79 -0.09 0.00 0.21 0.00 0.00 66.02 64.12 2yuj s SER 120 CO -0.08 -0.41 0.96 -0.75 0.41 0.00 0.00 173.24 173.37 2yuj s LYS 121 N 0.39 4.67 0.12 12.44 2.20 0.05 -3.66 119.74 135.95 2yuj s LYS 121 Ca 0.13 1.43 0.08 0.00 -0.36 0.00 0.00 55.97 57.26 2yuj s LYS 121 Cb -0.22 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2yuj s LYS 121 CO -0.04 0.34 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.03 2yuj s PHE 122 N -1.42 1.83 -0.40 4.03 0.40 -1.14 -1.46 117.98 119.82 2yuj s PHE 122 Ca 0.47 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 2yuj s PHE 122 Cb -0.22 -0.99 0.12 0.00 0.51 0.00 0.00 43.02 42.44 2yuj s PHE 122 CO 0.28 0.24 0.18 -1.14 0.70 0.00 0.00 175.22 175.48 2yuj s GLN 123 N -2.07 1.22 -0.55 0.44 0.74 0.59 0.31 119.66 120.34 2yuj s GLN 123 Ca 0.09 -1.81 -0.32 0.00 0.05 0.00 0.00 55.36 53.37 2yuj s GLN 123 Cb -0.09 -2.43 -0.13 0.00 1.10 0.00 0.00 33.01 31.46 2yuj s GLN 123 CO 0.05 -1.09 2.38 -2.30 -0.55 0.00 0.00 175.29 173.78 2yuj n PRO 124 N 3.91 0.78 0.18 1.67 -0.02 -1.25 -2.78 135.00 137.49 2yuj n PRO 124 Ca 0.05 0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2yuj n PRO 124 Cb 0.37 -2.48 0.60 0.00 -0.02 0.00 0.00 33.50 31.97 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 14.25 0.11 -6.47 -0.52 1.08 -1.58 -3.42 115.11 118.56 2yuj h GLN 125 Ca -0.20 -0.01 -0.68 0.00 -1.45 0.00 0.00 58.65 56.31 2yuj h GLN 125 Cb 1.31 -0.03 -0.18 0.00 -0.05 0.00 0.00 27.48 28.53 2yuj h GLN 125 CO 1.15 0.08 -0.75 0.45 -0.95 0.00 0.00 178.83 178.81 2yuj s SER 126 N -6.91 4.28 0.14 1.46 0.15 -1.22 -5.01 113.70 106.59 2yuj s SER 126 Ca -0.06 -0.32 0.22 0.00 0.70 0.00 0.00 55.95 56.50 2yuj s SER 126 Cb 0.17 -0.85 0.88 0.00 -1.71 0.00 0.00 66.02 64.51 2yuj s SER 126 CO 0.69 0.24 1.67 -0.81 1.20 0.00 0.00 173.24 176.23 2yuj n PRO 127 N 1.29 0.13 -0.35 5.44 -0.04 -1.26 -3.35 135.00 136.86 2yuj n PRO 127 Ca -0.15 0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 2yuj n PRO 127 Cb 0.52 -1.71 0.17 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.94 -0.31 3.54 3.32 -1.95 -1.65 116.42 120.31 2yuj h ASP 128 Ca 0.00 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2yuj h ASP 128 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2yuj h ASP 128 CO 0.00 0.59 -0.07 0.15 -1.72 0.00 0.00 179.24 178.19 2yuj h PHE 129 N 1.07 0.67 -0.04 4.55 3.57 -1.92 -2.85 116.94 122.00 2yuj h PHE 129 Ca 0.42 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.79 2yuj h PHE 129 Cb 0.22 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2yuj h PHE 129 CO -0.01 0.78 0.03 -0.07 -2.23 0.00 0.00 178.31 176.80 2yuj h LEU 130 N 0.38 0.00 -2.13 0.59 3.38 -1.58 -0.71 115.31 115.23 2yuj h LEU 130 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2yuj h LEU 130 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2yuj h LEU 130 CO 0.03 0.00 -0.06 0.44 0.09 0.00 0.00 178.44 178.94 2yuj h ASP 131 N 0.00 0.00 -3.89 -0.43 3.32 -1.07 -3.43 116.42 110.91 2yuj h ASP 131 Ca 0.02 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.53 2yuj h ASP 131 Cb 0.07 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.72 2yuj h ASP 131 CO -0.00 0.06 0.76 -0.63 -1.72 0.00 0.00 179.24 177.71 2yuj s ILE 132 N -4.55 2.17 0.25 0.35 1.01 -0.27 -4.91 121.20 115.25 2yuj s ILE 132 Ca -0.04 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 2yuj s ILE 132 Cb 0.15 -3.11 0.11 0.00 0.01 0.00 0.00 42.46 39.62 2yuj s ILE 132 CO 0.59 0.04 1.75 0.74 0.00 0.00 0.00 174.94 178.06 2yuj h THR 133 N 3.01 1.25 -2.17 2.92 2.02 -1.87 -3.33 112.91 114.74 2yuj h THR 133 Ca -0.50 -1.02 -0.58 0.00 0.77 0.00 0.00 66.41 65.07 2yuj h THR 133 Cb 1.24 0.86 -0.40 0.00 -1.74 0.00 0.00 68.15 68.10 2yuj h THR 133 CO 0.65 0.36 -0.84 0.59 0.37 0.00 0.00 175.52 176.65 2yuj n ASN 134 N -4.21 1.89 0.11 4.18 4.13 -1.26 -4.94 115.26 115.17 2yuj n ASN 134 Ca 0.03 -3.04 0.15 0.00 1.68 0.00 0.00 54.58 53.40 2yuj n ASN 134 Cb 0.31 -0.65 0.67 0.00 -1.54 0.00 0.00 39.78 38.56 2yuj n ASN 134 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2yuj h PRO 135 N 4.24 0.00 -0.05 3.52 0.11 -1.83 -2.31 132.00 135.69 2yuj h PRO 135 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2yuj h PRO 135 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2yuj h PRO 135 CO 0.64 0.00 0.03 -0.22 -0.21 0.00 0.00 178.00 178.24 2yuj h LYS 136 N 0.00 0.06 -0.54 1.05 3.64 -1.94 0.17 116.57 119.01 2yuj h LYS 136 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2yuj h LYS 136 Cb 0.57 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2yuj h LYS 136 CO -0.00 0.06 0.35 0.00 -2.27 0.00 0.00 179.45 177.58 2yuj h ALA 137 N 1.00 1.59 -0.01 5.00 0.00 -1.85 -0.12 119.26 124.88 2yuj h ALA 137 Ca 0.02 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2yuj h ALA 137 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2yuj h ALA 137 CO -0.00 0.37 -0.85 0.28 0.00 0.00 0.00 179.25 179.04 2yuj h VAL 138 N 0.74 1.47 -0.19 0.00 2.07 -1.34 -1.81 116.25 117.19 2yuj h VAL 138 Ca 0.20 -2.52 -0.14 0.00 0.82 0.00 0.00 66.70 65.06 2yuj h VAL 138 Cb -0.06 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2yuj h VAL 138 CO -0.04 0.74 -0.42 0.25 0.02 0.00 0.00 177.57 178.11 2yuj h LEU 139 N 0.14 0.70 -0.43 2.57 5.85 0.06 -2.34 115.31 121.86 2yuj h LEU 139 Ca -0.04 -0.56 -0.17 0.00 0.84 0.00 0.00 57.88 57.94 2yuj h LEU 139 Cb 1.47 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2yuj h LEU 139 CO 0.13 1.13 -0.54 1.05 -0.34 0.00 0.00 178.44 179.88 2yuj h GLU 140 N 0.30 0.70 -0.18 1.25 4.11 -1.10 -0.98 114.58 118.68 2yuj h GLU 140 Ca 0.00 -0.44 -0.07 0.00 0.07 0.00 0.00 59.36 58.93 2yuj h GLU 140 Cb 1.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2yuj h GLU 140 CO 0.09 1.06 -0.19 -0.91 0.07 0.00 0.00 179.01 179.13 2yuj h ASN 141 N 0.54 0.30 0.76 3.06 2.35 -1.35 -2.77 115.58 118.47 2yuj h ASN 141 Ca 0.01 -0.08 -0.25 0.00 -0.55 0.00 0.00 56.30 55.43 2yuj h ASN 141 Cb 1.11 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.38 2yuj h ASN 141 CO 0.11 0.51 -1.26 0.00 -1.65 0.00 0.00 177.43 175.14 2yuj h ALA 142 N 1.52 0.38 0.00 -0.83 0.00 -1.31 -3.28 119.26 115.73 2yuj h ALA 142 Ca 0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 2yuj h ALA 142 Cb 0.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2yuj h ALA 142 CO 0.03 1.25 -0.15 -0.07 0.00 0.00 0.00 179.25 180.32 2yuj h LEU 143 N 0.02 0.00 -2.27 0.00 3.38 -0.91 -2.19 115.31 113.35 2yuj h LEU 143 Ca -0.12 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2yuj h LEU 143 Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2yuj h LEU 143 CO 0.14 0.15 0.18 0.03 0.09 0.00 0.00 178.44 179.03 2yuj h ARG 144 N 0.00 0.00 0.02 1.13 3.08 -1.56 -2.21 114.38 114.84 2yuj h ARG 144 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2yuj h ARG 144 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2yuj h ARG 144 CO 0.02 0.00 -0.11 -0.91 -1.07 0.00 0.00 179.97 177.90 2yuj h ASN 145 N 0.00 0.07 -4.05 7.04 2.35 -1.61 -3.46 115.58 115.91 2yuj h ASN 145 Ca 0.07 -0.98 -0.55 0.00 -0.55 0.00 0.00 56.30 54.29 2yuj h ASN 145 Cb 0.44 -0.02 0.14 0.00 0.05 0.00 0.00 38.32 38.92 2yuj h ASN 145 CO -0.00 1.04 0.60 -0.36 -1.65 0.00 0.00 177.43 177.06 2yuj s PHE 146 N -2.30 2.27 -0.19 1.19 0.08 -0.83 -4.30 117.98 113.90 2yuj s PHE 146 Ca -0.18 1.38 0.17 0.00 0.12 0.00 0.00 56.93 58.42 2yuj s PHE 146 Cb -0.02 -3.79 -0.24 0.00 -0.57 0.00 0.00 43.02 38.40 2yuj s PHE 146 CO 0.71 -2.89 0.06 0.00 -0.10 0.00 0.00 175.22 173.00 2yuj n ALA 147 N -1.10 1.52 -2.34 5.36 0.00 -1.26 -4.78 120.51 117.91 2yuj n ALA 147 Ca 0.11 -1.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.17 2yuj n ALA 147 Cb 0.45 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 2yuj n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuj s LEU 149 N -3.08 1.38 -0.02 0.00 1.43 -1.03 -4.91 118.68 112.45 2yuj s LEU 149 Ca 0.29 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.66 2yuj s LEU 149 Cb 0.06 0.35 -0.03 0.00 0.03 0.00 0.00 46.19 46.61 2yuj s LEU 149 CO 0.06 -0.06 -0.14 -0.89 0.23 0.00 0.00 176.35 175.55 2yuj s THR 150 N 0.33 3.09 -0.73 5.49 2.01 -1.26 -3.38 115.64 121.19 2yuj s THR 150 Ca -0.02 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 2yuj s THR 150 Cb -0.03 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 2yuj s THR 150 CO -0.01 0.51 2.12 -0.89 -0.69 0.00 0.00 174.62 175.66 2yuj s THR 151 N -0.81 3.24 0.00 -0.82 2.01 -1.24 -1.96 115.64 116.06 2yuj s THR 151 Ca 0.13 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2yuj s THR 151 Cb -0.11 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2yuj s THR 151 CO 0.02 -0.56 0.00 0.61 -0.69 0.00 0.00 174.62 174.01 2yuj n GLY 152 N 6.41 1.96 3.71 4.40 0.00 -0.22 -5.00 105.19 116.44 2yuj n GLY 152 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 5.80 -0.89 1.61 1.11 -0.83 -4.91 116.67 116.56 2yuj s ASP 153 Ca 0.00 0.20 -0.19 0.00 0.18 0.00 0.00 52.55 52.74 2yuj s ASP 153 Cb 0.00 -1.91 0.13 0.00 1.07 0.00 0.00 42.92 42.21 2yuj s ASP 153 CO 0.00 0.27 1.08 -0.69 1.18 0.00 0.00 175.17 177.01 2yuj s VAL 154 N -0.20 4.75 -0.06 -1.27 1.01 -1.26 -2.64 120.40 120.74 2yuj s VAL 154 Ca 0.08 -1.51 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 2yuj s VAL 154 Cb -0.12 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.47 2yuj s VAL 154 CO 0.01 -1.46 0.48 0.27 0.00 0.00 0.00 175.10 174.40 2yuj s ILE 155 N 2.65 5.07 -0.23 2.22 -4.36 -1.23 -4.84 121.20 120.49 2yuj s ILE 155 Ca 0.30 0.98 -0.09 0.00 -0.26 0.00 0.00 60.65 61.58 2yuj s ILE 155 Cb -0.07 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.79 2yuj s ILE 155 CO -0.07 0.42 0.12 0.00 0.24 0.00 0.00 174.94 175.65 2yuj s ALA 156 N -0.06 3.47 -0.02 2.27 0.00 -1.26 -2.99 121.76 123.18 2yuj s ALA 156 Ca 0.26 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.37 2yuj s ALA 156 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 2yuj s ALA 156 CO 0.13 -0.17 -0.18 0.96 0.00 0.00 0.00 175.76 176.50 2yuj s ILE 157 N 1.03 2.78 0.00 0.00 -4.36 -0.86 -4.82 121.20 114.97 2yuj s ILE 157 Ca 0.06 -0.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.51 2yuj s ILE 157 Cb -0.14 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.47 2yuj s ILE 157 CO 0.04 0.51 -0.02 0.21 0.24 0.00 0.00 174.94 175.92 2yuj s ASN 158 N -0.93 0.18 0.01 4.36 3.84 -1.26 0.36 114.94 121.50 2yuj s ASN 158 Ca 0.12 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.06 2yuj s ASN 158 Cb -0.10 0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.60 2yuj s ASN 158 CO 0.02 -0.05 0.00 0.00 -2.79 0.00 0.00 177.10 174.27 2yuj n TYR 159 N 2.72 -2.26 -1.44 0.43 4.11 -1.25 -4.94 117.16 114.53 2yuj n TYR 159 Ca -0.15 0.03 -0.32 0.00 -0.00 0.00 0.00 57.90 57.46 2yuj n TYR 159 Cb 0.59 0.56 0.04 0.00 -0.00 0.00 0.00 39.34 40.53 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 -2.52 7.27 -2.53 9.48 5.15 -1.26 -4.79 115.26 126.06 2yuj n ASN 160 Ca 0.00 -3.59 -0.21 0.00 -0.60 0.00 0.00 54.58 50.18 2yuj n ASN 160 Cb 0.00 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 2yuj n ASN 160 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2yuj n GLU 161 N -0.33 -2.57 -3.69 1.20 4.71 -1.26 -4.97 120.64 113.73 2yuj n GLU 161 Ca 0.53 0.98 -0.12 0.00 -0.01 0.00 0.00 57.16 58.53 2yuj n GLU 161 Cb 0.51 -5.68 -0.12 0.00 -1.01 0.00 0.00 31.44 25.14 2yuj n GLU 161 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yuj s LYS 162 N -5.22 0.25 -0.81 3.49 1.02 -1.26 -5.10 119.74 112.11 2yuj s LYS 162 Ca 0.09 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.57 2yuj s LYS 162 Cb -0.04 -0.02 0.08 0.00 -0.52 0.00 0.00 37.83 37.33 2yuj s LYS 162 CO 0.11 -0.20 1.14 0.42 -0.92 0.00 0.00 175.35 175.89 2yuj s ILE 163 N 1.76 4.28 0.20 2.17 1.09 -1.26 -3.90 121.20 125.54 2yuj s ILE 163 Ca -0.06 -0.66 -0.30 0.00 -1.10 0.00 0.00 60.65 58.53 2yuj s ILE 163 Cb -0.10 -4.81 -0.08 0.00 -1.06 0.00 0.00 42.46 36.40 2yuj s ILE 163 CO -0.10 -1.61 1.05 -0.31 -0.10 0.00 0.00 174.94 173.87 2yuj s TYR 164 N 4.08 3.69 -0.23 3.97 1.51 0.16 -4.82 117.35 125.70 2yuj s TYR 164 Ca 0.31 1.71 -0.15 0.00 -1.01 0.00 0.00 57.07 57.93 2yuj s TYR 164 Cb -0.09 -3.19 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 2yuj s TYR 164 CO 0.02 -0.29 0.37 -1.21 -1.11 0.00 0.00 175.55 173.33 2yuj s GLU 165 N -0.73 4.10 -0.28 -0.62 2.02 -1.26 -2.03 118.70 119.89 2yuj s GLU 165 Ca 0.46 0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.51 2yuj s GLU 165 Cb -0.29 -3.59 0.11 0.00 0.10 0.00 0.00 34.13 30.46 2yuj s GLU 165 CO 0.35 -0.13 0.17 -0.51 0.02 0.00 0.00 175.26 175.15 2yuj s LEU 166 N 1.62 0.35 -0.17 1.80 1.43 -1.16 -1.43 118.68 121.13 2yuj s LEU 166 Ca 0.16 -1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 51.97 2yuj s LEU 166 Cb -0.15 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 2yuj s LEU 166 CO 0.08 -0.42 0.40 -0.60 0.23 0.00 0.00 176.35 176.04 2yuj s ARG 167 N 2.16 4.24 0.09 1.70 3.52 -1.12 -3.48 118.95 126.07 2yuj s ARG 167 Ca 0.09 0.26 -0.31 0.00 -0.13 0.00 0.00 55.73 55.64 2yuj s ARG 167 Cb -0.16 -3.48 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2yuj s ARG 167 CO -0.35 0.08 1.41 0.08 -0.81 0.00 0.00 175.30 175.72 2yuj s VAL 168 N 0.93 3.34 -0.07 7.11 1.01 -1.08 -0.30 120.40 131.33 2yuj s VAL 168 Ca 0.21 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 2yuj s VAL 168 Cb -0.14 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2yuj s VAL 168 CO 0.08 0.05 -0.07 0.24 0.00 0.00 0.00 175.10 175.40 2yuj h MET 169 N 7.09 0.00 -6.13 2.72 2.86 -1.55 -0.57 114.93 119.35 2yuj h MET 169 Ca -0.41 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.66 2yuj h MET 169 Cb 1.20 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.69 2yuj h MET 169 CO 0.88 0.00 -0.79 -2.00 1.06 0.00 0.00 176.91 176.06 2yuj s GLU 170 N -1.59 1.39 0.09 1.72 2.12 -1.22 -4.25 118.70 116.98 2yuj s GLU 170 Ca -0.06 -1.49 -0.06 0.00 0.36 0.00 0.00 54.97 53.71 2yuj s GLU 170 Cb 0.01 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.87 2yuj s GLU 170 CO 0.08 0.31 0.14 0.95 -0.54 0.00 0.00 175.26 176.20 2yuj s THR 171 N -2.05 0.15 0.05 -1.70 -4.23 -1.25 -0.77 115.64 105.83 2yuj s THR 171 Ca 0.19 -1.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 2yuj s THR 171 Cb -0.06 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.30 2yuj s THR 171 CO 0.08 -0.67 0.24 -0.54 -0.54 0.00 0.00 174.62 173.19 2yuj s LYS 172 N -3.90 0.76 0.17 3.99 1.02 -0.84 -4.56 119.74 116.39 2yuj s LYS 172 Ca 0.08 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2yuj s LYS 172 Cb 0.06 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.70 2yuj s LYS 172 CO -0.09 -0.23 1.40 -1.00 -0.92 0.00 0.00 175.35 174.51 2yuj h PRO 173 N 3.28 0.11 -5.72 -1.68 0.13 -1.91 -3.19 132.00 123.03 2yuj h PRO 173 Ca -0.32 -0.12 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2yuj h PRO 173 Cb 1.20 0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 2yuj h PRO 173 CO 0.48 0.90 -0.40 0.34 -0.23 0.00 0.00 178.00 179.09 2yuj s ASP 174 N -6.86 4.45 0.22 1.44 -1.08 -1.26 -5.04 116.67 108.54 2yuj s ASP 174 Ca -0.02 -1.32 -0.09 0.00 -0.52 0.00 0.00 52.55 50.60 2yuj s ASP 174 Cb 0.11 0.26 0.18 0.00 -1.46 0.00 0.00 42.92 42.00 2yuj s ASP 174 CO 0.81 -0.92 1.89 0.07 0.52 0.00 0.00 175.17 177.55 2yuj h LYS 175 N 1.06 1.07 -4.86 4.34 2.10 -1.93 -3.39 116.57 114.96 2yuj h LYS 175 Ca -0.40 -0.06 -0.66 0.00 -2.00 0.00 0.00 60.65 57.53 2yuj h LYS 175 Cb 1.30 -0.24 -0.18 0.00 -0.90 0.00 0.00 32.23 32.21 2yuj h LYS 175 CO 0.65 0.71 -0.41 0.00 -2.00 0.00 0.00 179.45 178.39 2yuj s ALA 176 N -6.13 3.52 -0.02 0.07 0.00 -1.26 -3.59 121.76 114.35 2yuj s ALA 176 Ca -0.13 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.64 2yuj s ALA 176 Cb 0.16 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2yuj s ALA 176 CO 0.79 -0.86 -0.08 0.14 0.00 0.00 0.00 175.76 175.74 2yuj s VAL 177 N 1.84 0.68 -0.65 0.00 -7.23 -1.22 -4.66 120.40 109.16 2yuj s VAL 177 Ca 0.09 -0.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.74 2yuj s VAL 177 Cb -0.17 -0.60 0.12 0.00 0.56 0.00 0.00 36.38 36.30 2yuj s VAL 177 CO 0.11 0.21 0.76 -0.55 -0.31 0.00 0.00 175.10 175.32 2yuj s SER 178 N 0.04 6.29 -1.06 4.85 0.15 0.25 -2.47 113.70 121.75 2yuj s SER 178 Ca -0.00 -1.63 -0.16 0.00 0.70 0.00 0.00 55.95 54.86 2yuj s SER 178 Cb -0.06 -2.30 0.15 0.00 -1.71 0.00 0.00 66.02 62.09 2yuj s SER 178 CO -0.00 -1.06 1.27 0.27 1.20 0.00 0.00 173.24 174.92 2yuj s ILE 179 N 2.45 4.87 -0.65 6.45 -4.36 -1.04 -3.40 121.20 125.53 2yuj s ILE 179 Ca 0.15 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.49 2yuj s ILE 179 Cb -0.21 -4.84 0.16 0.00 1.25 0.00 0.00 42.46 38.83 2yuj s ILE 179 CO 0.03 -1.56 0.44 -0.63 0.24 0.00 0.00 174.94 173.46 2yuj s ILE 180 N 2.16 3.08 -0.33 8.37 -1.09 -1.26 -4.64 121.20 127.49 2yuj s ILE 180 Ca 0.37 -3.72 -0.04 0.00 -2.23 0.00 0.00 60.65 55.03 2yuj s ILE 180 Cb -0.04 -3.04 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 2yuj s ILE 180 CO -0.05 -0.92 0.16 -0.62 -1.23 0.00 0.00 174.94 172.27 2yuj n GLU 181 N 2.62 -3.13 -3.62 2.79 -0.58 -1.26 -5.07 120.64 112.39 2yuj n GLU 181 Ca 0.13 2.57 -0.14 0.00 -0.42 0.00 0.00 57.16 59.30 2yuj n GLU 181 Cb 0.35 -5.37 -0.07 0.00 -0.57 0.00 0.00 31.44 25.78 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 0.12 6.52 0.44 0.00 1.47 -1.26 -4.99 116.67 118.97 2yuj s ASP 183 Ca -0.01 0.23 0.03 0.00 1.18 0.00 0.00 52.55 53.99 2yuj s ASP 183 Cb -0.04 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.99 2yuj s ASP 183 CO 0.01 -1.33 0.12 0.00 0.68 0.00 0.00 175.17 174.64 2yuj s MET 184 N 4.58 2.02 -0.89 2.11 0.23 -1.26 -4.98 119.30 121.11 2yuj s MET 184 Ca 0.44 -2.26 -0.17 0.00 -1.03 0.00 0.00 55.69 52.67 2yuj s MET 184 Cb -0.08 -0.75 0.17 0.00 -1.53 0.00 0.00 34.83 32.64 2yuj s MET 184 CO 0.28 -0.50 0.98 1.21 -2.03 0.00 0.00 175.02 174.96 2yuj s ASN 185 N -3.68 6.69 -1.25 -1.18 2.47 0.96 -4.97 114.94 113.99 2yuj s ASN 185 Ca 0.19 -2.32 -0.19 0.00 0.42 0.00 0.00 52.86 50.96 2yuj s ASN 185 Cb 0.01 -2.32 0.05 0.00 -1.45 0.00 0.00 41.25 37.54 2yuj s ASN 185 CO 0.12 -0.86 1.73 -0.69 -3.72 0.00 0.00 177.10 173.68 2yuj s VAL 186 N 1.63 4.03 0.93 -5.21 1.01 -1.26 -3.21 120.40 118.32 2yuj s VAL 186 Ca 0.27 -1.66 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 2yuj s VAL 186 Cb -0.07 -5.10 0.15 0.00 0.00 0.00 0.00 36.38 31.37 2yuj s VAL 186 CO -0.09 -1.89 1.17 -0.62 0.00 0.00 0.00 175.10 173.67 2yuj s ASP 187 N 4.61 3.34 0.22 3.32 2.15 -1.24 -4.98 116.67 124.10 2yuj s ASP 187 Ca 0.55 0.79 0.06 0.00 0.43 0.00 0.00 52.55 54.38 2yuj s ASP 187 Cb 0.03 -1.24 -0.05 0.00 -0.30 0.00 0.00 42.92 41.36 2yuj s ASP 187 CO 0.06 -2.64 -0.07 -0.36 -0.17 0.00 0.00 175.17 171.99 2yuj s PHE 188 N -3.39 1.66 -0.28 -5.34 0.08 -1.26 -2.90 117.98 106.55 2yuj s PHE 188 Ca 0.66 -0.75 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 2yuj s PHE 188 Cb -0.12 -0.90 0.14 0.00 -0.57 0.00 0.00 43.02 41.57 2yuj s PHE 188 CO 0.53 0.17 0.31 0.34 -0.10 0.00 0.00 175.22 176.47 2yuj s ASP 189 N -3.33 1.38 0.00 1.36 -1.08 0.15 -4.76 116.67 110.40 2yuj s ASP 189 Ca 0.25 -0.59 0.00 0.00 -0.52 0.00 0.00 52.55 51.69 2yuj s ASP 189 Cb 0.03 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 42.11 2yuj s ASP 189 CO 0.08 -0.37 0.04 0.00 0.52 0.00 0.00 175.17 175.43