#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3buf n GLY -3 N 0.00 3.90 3.06 -0.13 0.00 -1.26 -3.92 105.19 106.84 3buf n GLY -3 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 3buf n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3buf s SER -2 N -1.90 0.12 -0.38 1.61 0.15 -1.25 -2.59 113.70 109.45 3buf s SER -2 Ca 0.17 0.64 0.11 0.00 0.70 0.00 0.00 55.95 57.57 3buf s SER -2 Cb 0.15 0.72 0.33 0.00 -1.71 0.00 0.00 66.02 65.51 3buf s SER -2 CO 0.02 -0.22 0.74 0.49 1.20 0.00 0.00 173.24 175.48 3buf n PHE -1 N 5.07 -0.28 0.07 3.44 3.01 -1.26 -4.98 117.46 122.52 3buf n PHE -1 Ca -0.11 -3.57 0.18 0.00 1.01 0.00 0.00 57.45 54.97 3buf n PHE -1 Cb 0.51 -0.16 0.71 0.00 -0.01 0.00 0.00 39.48 40.53 3buf n PHE -1 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3buf h VAL 0 N 1.39 0.69 0.00 -4.37 -1.51 -1.97 0.38 116.25 110.85 3buf h VAL 0 Ca 0.07 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.48 3buf h VAL 0 Cb 0.97 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3buf h VAL 0 CO 0.45 0.00 -0.28 -0.33 -1.23 0.00 0.00 177.57 176.18 3buf h GLU 1 N 0.00 0.00 0.00 5.19 3.07 -1.95 -3.19 114.58 117.71 3buf h GLU 1 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3buf h GLU 1 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3buf h GLU 1 CO -0.00 0.28 -1.27 -1.33 -1.40 0.00 0.00 179.01 175.29 3buf n MET 2 N -4.18 0.21 -1.92 2.33 2.81 0.09 -4.68 117.12 111.78 3buf n MET 2 Ca -0.02 -0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 3buf n MET 2 Cb 0.33 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 3buf n MET 2 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3buf s VAL 3 N -3.16 2.43 -1.30 2.03 1.01 -1.04 -2.79 120.40 117.58 3buf s VAL 3 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3buf s VAL 3 Cb 0.15 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3buf s VAL 3 CO 0.87 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 175.36 3buf n ASP 4 N 2.33 -4.44 -0.24 3.32 4.64 -1.20 -4.91 116.55 116.05 3buf n ASP 4 Ca 0.08 0.12 0.14 0.00 -1.38 0.00 0.00 54.79 53.75 3buf n ASP 4 Cb 0.39 -3.44 0.67 0.00 -1.04 0.00 0.00 41.12 37.71 3buf n ASP 4 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 3buf n ASN 5 N -0.51 0.73 -4.65 1.67 6.94 -0.97 -4.80 115.26 113.68 3buf n ASN 5 Ca -0.16 -1.32 -0.32 0.00 -0.02 0.00 0.00 54.58 52.77 3buf n ASN 5 Cb 0.56 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.88 3buf n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3buf s LEU 6 N -1.89 3.36 0.22 -4.53 1.43 -0.27 -4.42 118.68 112.58 3buf s LEU 6 Ca 0.40 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3buf s LEU 6 Cb 0.20 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3buf s LEU 6 CO 0.32 0.24 0.08 -0.13 0.23 0.00 0.00 176.35 177.10 3buf s ARG 7 N -1.78 1.27 0.03 1.70 1.81 -0.68 -2.32 118.95 118.99 3buf s ARG 7 Ca 0.21 -1.67 -0.27 0.00 -1.72 0.00 0.00 55.73 52.28 3buf s ARG 7 Cb -0.11 -0.12 0.09 0.00 -0.45 0.00 0.00 34.95 34.35 3buf s ARG 7 CO 0.12 -0.28 1.23 0.20 -0.68 0.00 0.00 175.30 175.89 3buf s GLY 8 N -3.23 -0.06 0.02 -3.53 0.00 -0.87 0.03 107.32 99.67 3buf s GLY 8 Ca 0.34 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 45.07 3buf s GLY 8 CO 0.10 4.92 -0.23 0.54 0.00 0.00 0.00 173.10 178.43 3buf s LYS 9 N -2.05 1.70 -0.13 2.90 1.02 -1.25 -2.61 119.74 119.34 3buf s LYS 9 Ca 0.28 -0.93 -0.39 0.00 0.02 0.00 0.00 55.97 54.95 3buf s LYS 9 Cb -0.01 -1.76 -0.16 0.00 -0.52 0.00 0.00 37.83 35.38 3buf s LYS 9 CO 0.01 0.47 1.55 0.45 -0.92 0.00 0.00 175.35 176.91 3buf n SER 10 N 2.12 1.96 0.00 2.83 2.88 -1.26 -0.58 113.62 121.58 3buf n SER 10 Ca -0.16 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3buf n SER 10 Cb 0.52 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 3buf n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3buf n GLY 11 N 3.41 2.89 1.34 0.46 0.00 -1.26 -4.84 105.19 107.19 3buf n GLY 11 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 3buf n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3buf n GLN 12 N -2.00 2.96 0.00 1.61 6.02 0.25 -4.91 117.38 121.31 3buf n GLN 12 Ca 0.00 -2.67 0.00 0.00 -0.01 0.00 0.00 57.00 54.32 3buf n GLN 12 Cb 0.00 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.64 3buf n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3buf n GLY 13 N 1.43 -1.37 3.67 1.08 0.00 -1.23 -4.77 105.19 103.99 3buf n GLY 13 Ca 0.24 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3buf n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3buf s TYR 14 N -1.82 3.19 0.15 1.61 1.51 -1.26 -3.79 117.35 116.94 3buf s TYR 14 Ca 0.00 0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.28 3buf s TYR 14 Cb 0.00 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 3buf s TYR 14 CO 0.00 0.38 -0.17 1.52 -1.11 0.00 0.00 175.55 176.16 3buf s TYR 15 N -0.54 1.71 0.10 2.71 -0.85 0.10 -0.68 117.35 119.91 3buf s TYR 15 Ca 0.09 -0.48 0.10 0.00 -0.52 0.00 0.00 57.07 56.26 3buf s TYR 15 Cb -0.12 -0.87 -0.04 0.00 0.38 0.00 0.00 41.96 41.31 3buf s TYR 15 CO 0.02 0.27 -0.24 0.54 -1.52 0.00 0.00 175.55 174.62 3buf s VAL 16 N -1.97 2.01 0.02 -3.49 0.11 0.51 -1.69 120.40 115.90 3buf s VAL 16 Ca 0.13 -1.59 -0.30 0.00 -2.93 0.00 0.00 61.98 57.29 3buf s VAL 16 Cb -0.06 -1.78 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 3buf s VAL 16 CO 0.05 0.09 1.06 -0.70 -3.33 0.00 0.00 175.10 172.28 3buf s GLU 17 N -1.82 4.50 0.13 1.54 2.12 -1.26 -0.07 118.70 123.84 3buf s GLU 17 Ca 0.11 1.55 0.05 0.00 0.36 0.00 0.00 54.97 57.03 3buf s GLU 17 Cb -0.10 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3buf s GLU 17 CO 0.05 -0.14 -0.11 -1.64 -0.54 0.00 0.00 175.26 172.87 3buf s MET 18 N 1.09 1.02 -0.03 4.30 -1.94 0.11 -4.13 119.30 119.73 3buf s MET 18 Ca 0.54 -1.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.24 3buf s MET 18 Cb -0.24 -0.68 -0.02 0.00 2.01 0.00 0.00 34.83 35.90 3buf s MET 18 CO 0.28 0.10 -0.25 0.95 -0.01 0.00 0.00 175.02 176.09 3buf s THR 19 N -2.91 1.97 -0.02 2.05 -4.23 -0.61 -0.20 115.64 111.68 3buf s THR 19 Ca 0.13 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 3buf s THR 19 Cb -0.00 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3buf s THR 19 CO 0.01 0.55 -0.19 0.68 -0.54 0.00 0.00 174.62 175.14 3buf s VAL 20 N -0.50 1.50 0.00 2.29 -7.23 -0.58 -1.38 120.40 114.49 3buf s VAL 20 Ca 0.07 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 3buf s VAL 20 Cb -0.10 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.58 3buf s VAL 20 CO -0.00 0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 3buf n GLY 21 N 2.77 -0.95 2.83 2.32 0.00 0.30 -1.20 105.19 111.25 3buf n GLY 21 Ca -0.16 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 3buf n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3buf s SER 22 N -2.24 1.77 0.75 1.61 0.01 -1.26 -2.87 113.70 111.47 3buf s SER 22 Ca 0.00 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 56.98 3buf s SER 22 Cb 0.00 -0.59 0.04 0.00 0.21 0.00 0.00 66.02 65.68 3buf s SER 22 CO 0.00 -0.16 1.10 -2.16 0.41 0.00 0.00 173.24 172.43 3buf s PRO 23 N 1.81 2.36 0.20 12.44 0.04 -1.26 -1.37 135.00 149.21 3buf s PRO 23 Ca 0.04 1.25 -0.33 0.00 0.04 0.00 0.00 61.00 62.00 3buf s PRO 23 Cb -0.12 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 3buf s PRO 23 CO -0.06 -1.58 1.62 -2.30 0.04 0.00 0.00 177.00 174.72 3buf n PRO 24 N -3.25 2.44 -3.77 0.56 -0.02 -1.14 -4.90 135.00 124.92 3buf n PRO 24 Ca 0.10 0.88 -0.36 0.00 -2.02 0.00 0.00 63.50 62.09 3buf n PRO 24 Cb 0.53 -2.67 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 3buf n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3buf s GLN 25 N 0.74 3.59 -0.05 -0.52 -0.21 -0.34 -4.91 119.66 117.96 3buf s GLN 25 Ca 0.75 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 3buf s GLN 25 Cb -0.59 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.11 3buf s GLN 25 CO 0.38 -0.20 1.06 0.99 -2.12 0.00 0.00 175.29 175.39 3buf s THR 26 N 1.59 4.63 0.02 -0.19 2.01 -1.26 -1.53 115.64 120.91 3buf s THR 26 Ca 0.06 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3buf s THR 26 Cb -0.15 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3buf s THR 26 CO 0.03 0.05 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.20 3buf s LEU 27 N 1.70 2.14 -0.18 4.42 1.43 0.72 -4.90 118.68 124.00 3buf s LEU 27 Ca 0.52 -0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 3buf s LEU 27 Cb -0.21 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.83 3buf s LEU 27 CO 0.22 -0.10 0.35 0.20 0.23 0.00 0.00 176.35 177.25 3buf s ASN 28 N -0.86 6.44 -0.09 2.29 0.01 -1.26 0.07 114.94 121.53 3buf s ASN 28 Ca -0.06 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 3buf s ASN 28 Cb -0.06 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.41 3buf s ASN 28 CO -0.00 0.01 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.87 3buf s ILE 29 N 0.91 1.04 0.14 0.60 -1.09 0.90 -1.04 121.20 122.66 3buf s ILE 29 Ca 0.18 -0.35 -0.31 0.00 -2.23 0.00 0.00 60.65 57.93 3buf s ILE 29 Cb -0.14 -1.01 -0.11 0.00 -1.58 0.00 0.00 42.46 39.62 3buf s ILE 29 CO 0.06 0.35 1.81 -0.22 -1.23 0.00 0.00 174.94 175.72 3buf s LEU 30 N 1.25 4.39 -0.35 2.97 2.96 -0.63 -0.36 118.68 128.90 3buf s LEU 30 Ca -0.04 2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 56.42 3buf s LEU 30 Cb -0.14 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3buf s LEU 30 CO -0.03 -1.00 0.82 -0.69 -1.32 0.00 0.00 176.35 174.13 3buf s VAL 31 N 2.43 4.71 -0.26 1.68 1.01 0.14 0.06 120.40 130.17 3buf s VAL 31 Ca 0.80 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 3buf s VAL 31 Cb -0.47 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 31.76 3buf s VAL 31 CO 0.36 -0.43 0.04 -0.62 0.00 0.00 0.00 175.10 174.45 3buf s ASP 32 N 1.81 3.72 0.00 3.32 2.15 -0.72 -4.09 116.67 122.86 3buf s ASP 32 Ca 0.33 -1.32 0.27 0.00 0.43 0.00 0.00 52.55 52.26 3buf s ASP 32 Cb -0.13 -0.93 1.56 0.00 -0.30 0.00 0.00 42.92 43.13 3buf s ASP 32 CO 0.16 -0.33 2.01 0.35 -0.17 0.00 0.00 175.17 177.19 3buf n THR 33 N 4.82 0.00 -0.33 1.71 -2.24 -1.26 -0.91 114.28 116.07 3buf n THR 33 Ca -0.06 -0.02 0.10 0.00 -2.27 0.00 0.00 64.05 61.80 3buf n THR 33 Cb 0.44 -0.37 0.27 0.00 -2.10 0.00 0.00 70.33 68.57 3buf n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3buf n GLY 34 N 0.94 2.62 3.44 3.38 0.00 -1.26 -4.22 105.19 110.09 3buf n GLY 34 Ca 0.20 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3buf n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3buf s SER 35 N -1.01 0.57 0.00 1.61 1.04 -1.23 -4.99 113.70 109.69 3buf s SER 35 Ca 0.41 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3buf s SER 35 Cb 0.22 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3buf s SER 35 CO 0.27 -1.15 0.63 -1.20 0.98 0.00 0.00 173.24 172.77 3buf n SER 36 N -0.93 0.66 -4.69 7.02 7.64 -1.26 -1.03 113.62 121.02 3buf n SER 36 Ca 0.01 -1.31 -0.35 0.00 1.01 0.00 0.00 58.87 58.23 3buf n SER 36 Cb 0.63 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.73 3buf n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3buf s ASN 37 N -0.31 5.53 -0.45 6.43 -0.87 -1.26 -4.48 114.94 119.53 3buf s ASN 37 Ca 0.00 0.17 -0.22 0.00 -1.57 0.00 0.00 52.86 51.24 3buf s ASN 37 Cb 0.00 -1.74 0.03 0.00 -0.02 0.00 0.00 41.25 39.52 3buf s ASN 37 CO 0.00 0.31 0.72 0.12 -2.57 0.00 0.00 177.10 175.69 3buf s PHE 38 N -0.49 3.02 -0.03 2.20 5.99 -1.26 -0.97 117.98 126.45 3buf s PHE 38 Ca 0.10 0.05 0.02 0.00 0.00 0.00 0.00 56.93 57.10 3buf s PHE 38 Cb -0.12 -3.53 0.01 0.00 0.00 0.00 0.00 43.02 39.38 3buf s PHE 38 CO 0.02 -0.94 -0.08 0.00 -0.00 0.00 0.00 175.22 174.22 3buf s ALA 39 N 3.09 0.80 0.00 11.12 0.00 -0.34 -0.75 121.76 135.68 3buf s ALA 39 Ca 0.26 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.99 3buf s ALA 39 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3buf s ALA 39 CO 0.21 0.10 -0.05 0.14 0.00 0.00 0.00 175.76 176.16 3buf s VAL 40 N 0.38 0.39 0.15 0.00 -7.23 -0.26 0.34 120.40 114.17 3buf s VAL 40 Ca -0.06 -0.30 -0.34 0.00 -1.81 0.00 0.00 61.98 59.47 3buf s VAL 40 Cb -0.10 -0.35 -0.15 0.00 0.56 0.00 0.00 36.38 36.34 3buf s VAL 40 CO 0.01 0.05 1.34 0.61 -0.31 0.00 0.00 175.10 176.80 3buf n GLY 41 N 2.80 0.50 0.17 2.32 0.00 0.87 -0.36 105.19 111.49 3buf n GLY 41 Ca -0.14 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.52 3buf n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3buf n ALA 42 N 2.26 1.91 -3.22 4.61 0.00 -0.71 -0.09 120.51 125.28 3buf n ALA 42 Ca 0.16 -1.45 -0.14 0.00 0.00 0.00 0.00 53.44 52.01 3buf n ALA 42 Cb 0.24 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 3buf n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3buf s ALA 43 N -1.15 -1.00 -1.08 0.00 0.00 -1.25 -4.80 121.76 112.48 3buf s ALA 43 Ca 0.11 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.42 3buf s ALA 43 Cb 0.09 0.20 -0.06 0.00 0.00 0.00 0.00 23.12 23.35 3buf s ALA 43 CO 0.01 -0.37 2.30 -0.35 0.00 0.00 0.00 175.76 177.35 3buf n PRO 44 N 0.85 2.44 -1.74 0.00 -0.04 -1.26 -4.91 135.00 130.34 3buf n PRO 44 Ca -0.20 -1.64 -0.42 0.00 -0.04 0.00 0.00 63.50 61.20 3buf n PRO 44 Cb 0.58 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 3buf n PRO 44 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3buf n HIS 45 N 4.17 2.83 0.30 0.54 -0.00 -1.26 -4.90 115.22 116.89 3buf n HIS 45 Ca 0.52 0.25 0.16 0.00 0.46 0.00 0.00 57.72 59.12 3buf n HIS 45 Cb 0.16 -2.60 0.94 0.00 -0.12 0.00 0.00 29.99 28.37 3buf n HIS 45 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3buf h PRO 46 N 4.85 0.00 -0.00 1.57 0.13 -2.04 -1.86 132.00 134.66 3buf h PRO 46 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3buf h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3buf h PRO 46 CO 0.80 0.02 -0.00 1.19 -0.23 0.00 0.00 178.00 179.77 3buf n PHE 47 N -3.68 0.00 -3.56 1.56 0.99 -1.26 -4.87 117.46 106.63 3buf n PHE 47 Ca -0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.06 3buf n PHE 47 Cb 0.11 -0.38 -0.07 0.00 -1.00 0.00 0.00 39.48 38.13 3buf n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3buf s LEU 48 N -2.77 4.24 0.29 4.37 1.43 -0.70 -4.64 118.68 120.90 3buf s LEU 48 Ca 0.22 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.87 3buf s LEU 48 Cb 0.20 -2.34 0.41 0.00 0.03 0.00 0.00 46.19 44.49 3buf s LEU 48 CO 0.49 0.11 1.66 0.45 0.23 0.00 0.00 176.35 179.29 3buf h HIS 49 N 6.66 0.14 -2.80 0.29 3.86 -1.88 -3.47 115.15 117.95 3buf h HIS 49 Ca -0.41 -0.05 0.08 0.00 -1.16 0.00 0.00 60.37 58.83 3buf h HIS 49 Cb 1.16 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 29.53 3buf h HIS 49 CO 0.60 0.62 0.30 -0.98 0.86 0.00 0.00 177.93 179.33 3buf s ARG 50 N -3.87 1.50 0.15 2.45 1.70 -1.26 -5.19 118.95 114.43 3buf s ARG 50 Ca -0.03 -0.77 -0.22 0.00 -0.47 0.00 0.00 55.73 54.23 3buf s ARG 50 Cb 0.13 0.55 0.07 0.00 -0.57 0.00 0.00 34.95 35.12 3buf s ARG 50 CO 0.77 -0.68 0.58 1.52 -1.08 0.00 0.00 175.30 176.40 3buf s TYR 51 N -3.69 -0.50 -0.13 5.89 -0.85 -1.26 -4.85 117.35 111.95 3buf s TYR 51 Ca 0.09 0.31 -0.29 0.00 -0.52 0.00 0.00 57.07 56.66 3buf s TYR 51 Cb -0.04 0.51 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3buf s TYR 51 CO 0.01 -0.82 1.52 -0.47 -1.52 0.00 0.00 175.55 174.28 3buf s TYR 52 N -3.64 2.27 -0.71 -3.49 5.04 0.88 -4.93 117.35 112.77 3buf s TYR 52 Ca 0.01 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.07 3buf s TYR 52 Cb -0.01 -3.82 0.18 0.00 0.35 0.00 0.00 41.96 38.67 3buf s TYR 52 CO -0.12 -2.96 0.59 -0.65 -1.34 0.00 0.00 175.55 171.08 3buf s GLN 53 N 4.05 3.09 0.39 4.97 -0.21 -1.26 -4.39 119.66 126.30 3buf s GLN 53 Ca 0.67 -2.39 0.12 0.00 0.02 0.00 0.00 55.36 53.78 3buf s GLN 53 Cb -0.27 -4.12 0.93 0.00 1.00 0.00 0.00 33.01 30.54 3buf s GLN 53 CO 0.25 -1.24 1.91 0.00 -2.12 0.00 0.00 175.29 174.09 3buf h ARG 54 N 7.62 0.54 0.00 2.91 3.08 -1.93 -1.78 114.38 124.82 3buf h ARG 54 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3buf h ARG 54 Cb 1.01 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3buf h ARG 54 CO 0.76 0.36 -0.05 -0.56 -1.07 0.00 0.00 179.97 179.41 3buf h GLN 55 N 0.56 0.00 -0.01 0.04 -0.00 -2.00 -1.54 115.11 112.15 3buf h GLN 55 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 3buf h GLN 55 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.17 3buf h GLN 55 CO -0.14 0.05 -0.13 1.28 -0.00 0.00 0.00 178.83 179.89 3buf n LEU 56 N -3.52 0.70 -4.40 0.06 4.77 -0.67 -4.83 117.00 109.11 3buf n LEU 56 Ca -0.02 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 3buf n LEU 56 Cb 0.16 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 3buf n LEU 56 CO 0.27 0.13 -0.32 -0.55 -1.33 0.00 0.00 177.39 175.58 3buf s SER 57 N -2.40 4.81 0.13 -1.43 0.15 -0.58 -4.16 113.70 110.22 3buf s SER 57 Ca 0.30 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.95 3buf s SER 57 Cb 0.20 -1.85 0.96 0.00 -1.71 0.00 0.00 66.02 63.62 3buf s SER 57 CO 0.46 -0.01 1.82 -1.54 1.20 0.00 0.00 173.24 175.17 3buf n SER 58 N 4.76 0.51 -0.85 5.45 3.41 -0.47 -3.46 113.62 122.96 3buf n SER 58 Ca -0.17 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 3buf n SER 58 Cb 0.51 -0.69 0.10 0.00 -0.26 0.00 0.00 64.21 63.87 3buf n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3buf n THR 59 N -1.98 0.05 -2.18 6.66 -2.24 -1.26 -4.98 114.28 108.35 3buf n THR 59 Ca 0.06 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 3buf n THR 59 Cb 0.38 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.97 3buf n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3buf s TYR 60 N -1.70 3.18 -0.11 4.78 5.04 -1.23 -4.59 117.35 122.72 3buf s TYR 60 Ca 0.25 1.31 -0.00 0.00 -2.44 0.00 0.00 57.07 56.19 3buf s TYR 60 Cb 0.18 -3.63 0.02 0.00 0.35 0.00 0.00 41.96 38.88 3buf s TYR 60 CO 0.26 -1.85 -0.09 1.03 -1.34 0.00 0.00 175.55 173.56 3buf s ARG 61 N -0.89 1.68 0.11 4.97 0.52 -0.20 -5.00 118.95 120.14 3buf s ARG 61 Ca 0.53 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.11 3buf s ARG 61 Cb -0.38 -1.66 -0.07 0.00 0.52 0.00 0.00 34.95 33.36 3buf s ARG 61 CO 0.45 -0.23 1.30 0.34 0.02 0.00 0.00 175.30 177.18 3buf s ASP 62 N 1.57 6.94 0.00 0.23 -1.08 -1.26 -1.12 116.67 121.95 3buf s ASP 62 Ca 0.03 2.22 0.24 0.00 -0.52 0.00 0.00 52.55 54.52 3buf s ASP 62 Cb -0.13 -2.59 0.27 0.00 -1.46 0.00 0.00 42.92 39.01 3buf s ASP 62 CO -0.07 -0.56 1.26 0.18 0.52 0.00 0.00 175.17 176.50 3buf n LEU 63 N 3.69 1.33 -3.66 -1.34 4.77 -0.78 -4.93 117.00 116.08 3buf n LEU 63 Ca 0.09 -0.45 -0.24 0.00 -0.03 0.00 0.00 56.01 55.38 3buf n LEU 63 Cb 0.44 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 3buf n LEU 63 CO 0.57 0.26 -0.07 0.54 -1.33 0.00 0.00 177.39 177.36 3buf n ARG 64 N -0.67 -3.41 -3.66 3.23 1.74 -1.25 -4.99 116.66 107.66 3buf n ARG 64 Ca 0.09 0.59 -0.11 0.00 -0.77 0.00 0.00 57.85 57.65 3buf n ARG 64 Cb 0.39 -4.92 -0.08 0.00 -1.02 0.00 0.00 32.46 26.83 3buf n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3buf s LYS 65 N -5.82 0.67 0.44 5.56 2.20 -1.26 -5.06 119.74 116.48 3buf s LYS 65 Ca 0.19 0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 56.78 3buf s LYS 65 Cb -0.05 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 3buf s LYS 65 CO 0.82 -0.12 0.68 0.20 -0.36 0.00 0.00 175.35 176.57 3buf s GLY 66 N 0.98 1.51 -0.04 5.54 0.00 -1.26 -0.88 107.32 113.17 3buf s GLY 66 Ca -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.73 3buf s GLY 66 CO -0.09 -0.76 0.09 0.54 0.00 0.00 0.00 173.10 172.88 3buf s VAL 67 N -2.56 -0.02 -0.11 1.40 0.11 -0.36 -4.83 120.40 114.04 3buf s VAL 67 Ca 0.47 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 3buf s VAL 67 Cb -0.10 -0.15 0.03 0.00 -1.53 0.00 0.00 36.38 34.63 3buf s VAL 67 CO 0.39 0.02 -0.04 -0.47 -3.33 0.00 0.00 175.10 171.67 3buf s TYR 68 N 0.36 1.20 -0.34 1.54 5.04 -1.26 -1.35 117.35 122.53 3buf s TYR 68 Ca -0.03 -0.57 -0.01 0.00 -2.44 0.00 0.00 57.07 54.02 3buf s TYR 68 Cb -0.04 -1.08 0.08 0.00 0.35 0.00 0.00 41.96 41.27 3buf s TYR 68 CO -0.01 -0.46 0.07 0.08 -1.34 0.00 0.00 175.55 173.88 3buf s VAL 69 N 1.80 2.93 0.30 3.14 1.01 0.72 -5.01 120.40 125.29 3buf s VAL 69 Ca 0.04 -1.76 -0.17 0.00 0.00 0.00 0.00 61.98 60.10 3buf s VAL 69 Cb -0.13 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 3buf s VAL 69 CO -0.07 -0.36 0.75 -2.16 0.00 0.00 0.00 175.10 173.25 3buf s PRO 70 N 1.16 4.10 0.32 2.72 0.04 -1.26 -1.19 135.00 140.89 3buf s PRO 70 Ca 0.01 0.77 0.04 0.00 0.04 0.00 0.00 61.00 61.85 3buf s PRO 70 Cb -0.21 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 3buf s PRO 70 CO -0.03 0.22 0.06 0.71 0.04 0.00 0.00 177.00 178.00 3buf s TYR 71 N -1.85 1.94 0.13 0.56 2.02 0.36 -4.94 117.35 115.57 3buf s TYR 71 Ca 0.51 -0.98 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 3buf s TYR 71 Cb -0.12 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 3buf s TYR 71 CO 0.18 -0.01 1.77 1.15 -1.57 0.00 0.00 175.55 177.07 3buf h THR 72 N 2.12 1.02 0.00 -0.71 2.02 -2.01 -3.34 112.91 112.00 3buf h THR 72 Ca -0.41 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3buf h THR 72 Cb 1.25 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3buf h THR 72 CO 0.69 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.63 3buf n GLN 73 N -4.97 0.00 0.00 6.66 3.00 -1.26 -5.03 117.38 115.79 3buf n GLN 73 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 3buf n GLN 73 Cb 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3buf n GLN 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3buf n GLY 74 N -0.09 4.35 3.78 1.08 0.00 -1.26 -4.97 105.19 108.08 3buf n GLY 74 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.52 3buf n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3buf s LYS 75 N 3.26 0.16 0.04 1.61 0.00 -0.39 -0.49 119.74 123.94 3buf s LYS 75 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 55.97 55.89 3buf s LYS 75 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 37.83 37.86 3buf s LYS 75 CO 0.00 -0.08 -0.08 1.67 0.00 0.00 0.00 175.35 176.87 3buf s TRP 76 N -2.09 0.66 -0.01 1.78 1.48 -0.33 -0.79 118.94 119.64 3buf s TRP 76 Ca 0.22 -0.50 -0.02 0.00 -1.06 0.00 0.00 56.10 54.74 3buf s TRP 76 Cb 0.04 -0.40 0.00 0.00 -1.16 0.00 0.00 33.47 31.95 3buf s TRP 76 CO -0.04 -0.09 0.04 -2.00 -4.06 0.00 0.00 176.95 170.81 3buf s GLU 77 N -1.59 0.10 0.33 3.25 2.12 0.14 -0.20 118.70 122.84 3buf s GLU 77 Ca -0.10 -0.02 -0.15 0.00 0.36 0.00 0.00 54.97 55.05 3buf s GLU 77 Cb -0.10 0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.39 3buf s GLU 77 CO 0.00 -0.02 0.79 0.41 -0.54 0.00 0.00 175.26 175.91 3buf n GLY 78 N 2.84 0.95 3.44 -1.50 0.00 -0.46 -0.89 105.19 109.58 3buf n GLY 78 Ca -0.14 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 3buf n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3buf s GLU 79 N -2.08 2.94 0.23 1.61 2.02 0.12 -1.22 118.70 122.32 3buf s GLU 79 Ca 0.16 -0.67 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 3buf s GLU 79 Cb -0.04 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 3buf s GLU 79 CO 0.10 0.44 0.69 -0.51 0.02 0.00 0.00 175.26 176.00 3buf s LEU 80 N -0.25 4.28 0.24 1.80 1.43 -0.06 -0.45 118.68 125.68 3buf s LEU 80 Ca 0.02 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.23 3buf s LEU 80 Cb -0.13 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.52 3buf s LEU 80 CO 0.03 -0.01 0.95 -0.83 0.23 0.00 0.00 176.35 176.72 3buf s GLY 81 N -1.82 0.16 0.10 -3.19 0.00 -0.78 -1.87 107.32 99.93 3buf s GLY 81 Ca 0.45 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.82 3buf s GLY 81 CO 0.20 1.38 -0.20 -0.51 0.00 0.00 0.00 173.10 173.97 3buf s THR 82 N -2.34 1.63 0.31 0.90 -4.23 -0.27 -0.52 115.64 111.12 3buf s THR 82 Ca 0.19 -1.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 3buf s THR 82 Cb -0.03 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.31 3buf s THR 82 CO 0.07 -0.11 0.61 -0.62 -0.54 0.00 0.00 174.62 174.03 3buf s ASP 83 N -1.94 0.08 0.04 3.99 -1.08 -0.84 -1.03 116.67 115.89 3buf s ASP 83 Ca 0.06 -1.02 -0.30 0.00 -0.52 0.00 0.00 52.55 50.77 3buf s ASP 83 Cb -0.10 0.70 -0.04 0.00 -1.46 0.00 0.00 42.92 42.02 3buf s ASP 83 CO 0.04 -1.35 0.98 -0.76 0.52 0.00 0.00 175.17 174.60 3buf s LEU 84 N -3.05 4.42 -0.05 -1.34 1.43 -1.26 -1.38 118.68 117.45 3buf s LEU 84 Ca 0.20 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 3buf s LEU 84 Cb -0.03 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.62 3buf s LEU 84 CO 0.11 -0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 175.68 3buf s VAL 85 N 0.63 1.16 0.25 -1.59 1.01 0.14 -0.54 120.40 121.46 3buf s VAL 85 Ca 0.50 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3buf s VAL 85 Cb -0.22 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 3buf s VAL 85 CO 0.29 0.35 -0.08 -0.44 0.00 0.00 0.00 175.10 175.22 3buf s SER 86 N 0.35 2.56 -0.31 3.32 0.01 -0.48 -1.30 113.70 117.85 3buf s SER 86 Ca -0.09 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.05 3buf s SER 86 Cb -0.13 -0.13 0.09 0.00 0.21 0.00 0.00 66.02 66.06 3buf s SER 86 CO 0.03 -0.32 0.04 -0.63 0.41 0.00 0.00 173.24 172.77 3buf s ILE 87 N -3.07 1.74 0.18 1.44 1.01 -1.26 -1.57 121.20 119.67 3buf s ILE 87 Ca 0.27 -1.87 -0.19 0.00 0.00 0.00 0.00 60.65 58.86 3buf s ILE 87 Cb 0.03 -2.23 0.13 0.00 0.01 0.00 0.00 42.46 40.40 3buf s ILE 87 CO 0.10 -0.53 1.61 -0.65 0.00 0.00 0.00 174.94 175.47 3buf h PRO 88 N 7.81 -0.13 -1.89 2.79 0.11 -1.91 0.62 132.00 139.41 3buf h PRO 88 Ca -0.09 0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.45 3buf h PRO 88 Cb 1.03 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 3buf h PRO 88 CO 0.49 -0.09 0.63 0.72 -0.21 0.00 0.00 178.00 179.54 3buf n HIS 89 N -5.42 2.12 -2.75 0.65 8.25 -1.26 -4.85 115.22 111.96 3buf n HIS 89 Ca 0.04 -2.13 0.00 0.00 -0.26 0.00 0.00 57.72 55.37 3buf n HIS 89 Cb 0.33 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 30.15 3buf n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3buf n GLY 90 N 0.28 5.03 3.76 -1.41 0.00 0.21 -4.34 105.19 108.72 3buf n GLY 90 Ca 0.50 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 3buf n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3buf s PRO 91 N 1.16 3.76 -1.51 1.61 0.04 -1.26 -4.87 135.00 133.93 3buf s PRO 91 Ca 0.00 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 3buf s PRO 91 Cb 0.00 -2.60 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 3buf s PRO 91 CO 0.00 -0.66 2.53 0.09 0.04 0.00 0.00 177.00 179.00 3buf n ASN 92 N -0.21 6.29 -4.17 6.66 3.02 -1.26 -4.63 115.26 120.96 3buf n ASN 92 Ca 0.06 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.74 3buf n ASN 92 Cb 0.44 -1.59 -0.10 0.00 -0.61 0.00 0.00 39.78 37.93 3buf n ASN 92 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3buf s VAL 93 N 2.32 0.45 -0.04 2.41 -7.23 -1.26 -5.16 120.40 111.88 3buf s VAL 93 Ca 0.57 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3buf s VAL 93 Cb 0.16 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3buf s VAL 93 CO -0.07 -0.65 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.10 3buf s THR 94 N -3.80 0.78 0.11 5.32 2.01 -1.26 -4.50 115.64 114.29 3buf s THR 94 Ca 0.18 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.96 3buf s THR 94 Cb 0.07 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 3buf s THR 94 CO -0.01 0.26 -0.20 0.68 -0.69 0.00 0.00 174.62 174.66 3buf s VAL 95 N 0.58 1.70 -0.27 3.82 -7.23 -0.42 -4.92 120.40 113.67 3buf s VAL 95 Ca -0.10 -1.57 -0.24 0.00 -1.81 0.00 0.00 61.98 58.26 3buf s VAL 95 Cb -0.13 -1.57 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 3buf s VAL 95 CO 0.01 -0.09 0.79 -0.60 -0.31 0.00 0.00 175.10 174.90 3buf s ARG 96 N -1.99 4.10 0.12 4.82 3.52 -1.26 0.28 118.95 128.52 3buf s ARG 96 Ca 0.07 0.77 0.06 0.00 -0.13 0.00 0.00 55.73 56.50 3buf s ARG 96 Cb -0.10 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 3buf s ARG 96 CO 0.04 -0.57 -0.14 0.00 -0.81 0.00 0.00 175.30 173.83 3buf s ALA 97 N 2.85 1.45 0.33 6.12 0.00 -0.48 -4.91 121.76 127.13 3buf s ALA 97 Ca 0.33 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 3buf s ALA 97 Cb -0.15 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 3buf s ALA 97 CO 0.09 0.11 1.34 -0.80 0.00 0.00 0.00 175.76 176.50 3buf s ASN 98 N -2.38 6.70 -0.03 0.00 0.01 -1.26 -1.99 114.94 115.99 3buf s ASN 98 Ca 0.08 2.74 0.01 0.00 -0.71 0.00 0.00 52.86 54.97 3buf s ASN 98 Cb -0.05 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3buf s ASN 98 CO 0.03 -0.60 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.37 3buf s ILE 99 N -1.04 0.34 -0.39 0.60 1.01 0.32 -4.64 121.20 117.41 3buf s ILE 99 Ca 0.50 -0.03 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 3buf s ILE 99 Cb -0.41 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3buf s ILE 99 CO 0.54 0.17 0.51 0.00 0.00 0.00 0.00 174.94 176.16 3buf s ALA 100 N 0.85 3.43 -0.49 9.38 0.00 0.08 -1.86 121.76 133.14 3buf s ALA 100 Ca -0.10 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 3buf s ALA 100 Cb -0.13 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.94 3buf s ALA 100 CO -0.01 -1.46 1.13 0.00 0.00 0.00 0.00 175.76 175.42 3buf s ALA 101 N 2.38 3.14 -0.22 0.00 0.00 0.40 -1.10 121.76 126.36 3buf s ALA 101 Ca 0.17 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 3buf s ALA 101 Cb -0.16 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.06 3buf s ALA 101 CO 0.15 -2.31 1.17 0.42 0.00 0.00 0.00 175.76 175.19 3buf s ILE 102 N 4.48 4.44 -0.13 0.00 1.01 0.52 -0.70 121.20 130.81 3buf s ILE 102 Ca 0.46 1.72 0.13 0.00 0.00 0.00 0.00 60.65 62.96 3buf s ILE 102 Cb -0.07 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 38.04 3buf s ILE 102 CO 0.31 -0.22 0.33 0.35 0.00 0.00 0.00 174.94 175.71 3buf n THR 103 N 5.48 0.00 -3.70 2.92 -2.24 -0.07 -1.73 114.28 114.95 3buf n THR 103 Ca 0.13 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 3buf n THR 103 Cb 0.46 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 3buf n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3buf s GLU 104 N -2.75 0.44 0.17 -0.78 -6.30 -0.89 -4.96 118.70 103.64 3buf s GLU 104 Ca -0.03 0.79 -0.10 0.00 -2.50 0.00 0.00 54.97 53.13 3buf s GLU 104 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 34.13 34.25 3buf s GLU 104 CO 0.53 -0.14 0.31 -1.54 0.02 0.00 0.00 175.26 174.44 3buf s SER 105 N 1.19 0.01 -0.08 -1.70 1.04 -1.26 0.25 113.70 113.14 3buf s SER 105 Ca -0.08 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.47 3buf s SER 105 Cb -0.07 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.55 3buf s SER 105 CO -0.11 -0.92 0.17 -0.62 0.98 0.00 0.00 173.24 172.74 3buf s ASP 106 N -2.97 0.08 -1.34 7.02 2.15 0.03 -4.90 116.67 116.75 3buf s ASP 106 Ca 0.17 0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.48 3buf s ASP 106 Cb 0.03 0.26 0.01 0.00 -0.30 0.00 0.00 42.92 42.92 3buf s ASP 106 CO 0.00 -0.18 0.17 0.29 -0.17 0.00 0.00 175.17 175.28 3buf n LYS 107 N 4.51 -2.68 -0.10 4.34 5.02 -1.26 -1.27 118.16 126.72 3buf n LYS 107 Ca -0.21 0.73 -0.14 0.00 -2.02 0.00 0.00 58.31 56.67 3buf n LYS 107 Cb 0.51 -5.40 -0.05 0.00 -0.02 0.00 0.00 35.03 30.07 3buf n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3buf n PHE 108 N -3.79 0.00 -2.71 2.13 7.35 -1.26 -4.81 117.46 114.36 3buf n PHE 108 Ca -0.15 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.13 3buf n PHE 108 Cb 0.62 -0.62 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3buf n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3buf s PHE 109 N -2.77 3.76 -0.07 -5.13 0.40 -1.26 -5.02 117.98 107.89 3buf s PHE 109 Ca -0.31 1.76 -0.20 0.00 -0.60 0.00 0.00 56.93 57.58 3buf s PHE 109 Cb 0.07 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.47 3buf s PHE 109 CO 0.43 0.09 0.55 0.42 0.70 0.00 0.00 175.22 177.42 3buf s ILE 110 N 0.28 5.06 -0.30 0.64 1.01 -1.26 -5.01 121.20 121.62 3buf s ILE 110 Ca 0.49 1.14 -0.28 0.00 0.00 0.00 0.00 60.65 61.99 3buf s ILE 110 Cb -0.23 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3buf s ILE 110 CO 0.30 0.35 2.09 0.21 0.00 0.00 0.00 174.94 177.89 3buf s ASN 111 N 0.31 5.47 0.00 3.58 2.47 -1.26 -2.48 114.94 123.03 3buf s ASN 111 Ca 0.30 1.54 0.00 0.00 0.42 0.00 0.00 52.86 55.12 3buf s ASN 111 Cb -0.17 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3buf s ASN 111 CO 0.14 -2.00 0.00 0.61 -3.72 0.00 0.00 177.10 172.13 3buf n GLY 112 N 5.68 0.73 3.92 1.21 0.00 -1.26 -5.10 105.19 110.37 3buf n GLY 112 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 3buf n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3buf s SER 113 N -2.28 6.23 -0.16 1.61 1.04 -1.04 -5.02 113.70 114.09 3buf s SER 113 Ca 0.00 0.71 0.16 0.00 0.48 0.00 0.00 55.95 57.30 3buf s SER 113 Cb 0.00 -2.11 0.64 0.00 0.10 0.00 0.00 66.02 64.64 3buf s SER 113 CO 0.00 -0.49 1.55 -3.20 0.98 0.00 0.00 173.24 172.08 3buf n ASN 114 N -2.09 4.53 -4.55 7.02 5.15 -1.26 -4.83 115.26 119.23 3buf n ASN 114 Ca -0.01 -2.75 -0.26 0.00 -0.60 0.00 0.00 54.58 50.96 3buf n ASN 114 Cb 0.56 -0.56 -0.09 0.00 -0.53 0.00 0.00 39.78 39.15 3buf n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3buf s TRP 115 N -2.37 2.56 0.00 1.20 1.48 -1.26 -4.65 118.94 115.89 3buf s TRP 115 Ca 0.46 -0.25 0.00 0.00 -1.06 0.00 0.00 56.10 55.25 3buf s TRP 115 Cb 0.34 -1.22 0.00 0.00 -1.16 0.00 0.00 33.47 31.43 3buf s TRP 115 CO 0.15 0.55 0.36 0.39 -4.06 0.00 0.00 176.95 174.34 3buf n GLU 116 N -0.15 0.15 -2.96 3.25 4.71 -0.21 -4.88 120.64 120.55 3buf n GLU 116 Ca -0.10 -0.42 -0.05 0.00 -0.01 0.00 0.00 57.16 56.58 3buf n GLU 116 Cb 0.57 -0.68 0.02 0.00 -1.01 0.00 0.00 31.44 30.33 3buf n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3buf n GLY 117 N -0.06 1.15 2.88 0.62 0.00 -1.22 -0.09 105.19 108.46 3buf n GLY 117 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3buf n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3buf s ILE 118 N -2.33 0.25 -0.43 -0.61 2.07 0.15 -1.61 121.20 118.69 3buf s ILE 118 Ca 0.12 -0.04 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 3buf s ILE 118 Cb -0.03 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.37 3buf s ILE 118 CO 0.07 0.12 0.27 -0.22 -1.91 0.00 0.00 174.94 173.27 3buf s LEU 119 N 0.51 5.30 -0.29 8.50 2.96 0.11 -1.20 118.68 134.57 3buf s LEU 119 Ca -0.05 -1.67 -0.29 0.00 -0.22 0.00 0.00 54.13 51.89 3buf s LEU 119 Cb -0.08 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3buf s LEU 119 CO -0.01 -0.58 1.11 -0.83 -1.32 0.00 0.00 176.35 174.73 3buf s GLY 120 N 2.24 1.56 0.00 7.98 0.00 -0.14 -1.75 107.32 117.21 3buf s GLY 120 Ca 0.04 0.04 0.22 0.00 0.00 0.00 0.00 44.72 45.03 3buf s GLY 120 CO 0.01 2.32 1.18 1.04 0.00 0.00 0.00 173.10 177.64 3buf n LEU 121 N 6.85 2.69 0.00 0.66 4.77 -0.09 -4.33 117.00 127.56 3buf n LEU 121 Ca 0.12 -0.96 -0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3buf n LEU 121 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3buf n LEU 121 CO 0.58 0.46 0.01 0.00 -1.33 0.00 0.00 177.39 177.11 3buf n ALA 122 N 1.02 -0.01 -2.32 -1.18 0.00 -0.20 -4.93 120.51 112.88 3buf n ALA 122 Ca 0.12 -0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 3buf n ALA 122 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.00 3buf n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3buf s TYR 123 N -0.66 3.36 0.43 0.00 1.51 -0.58 -4.67 117.35 116.74 3buf s TYR 123 Ca 0.01 0.48 0.19 0.00 -1.01 0.00 0.00 57.07 56.74 3buf s TYR 123 Cb -0.00 -2.33 1.13 0.00 -0.11 0.00 0.00 41.96 40.65 3buf s TYR 123 CO 0.01 -0.35 1.84 0.00 -1.11 0.00 0.00 175.55 175.93 3buf h ALA 124 N 0.30 2.28 -0.97 3.71 0.00 -1.86 -2.84 119.26 119.89 3buf h ALA 124 Ca -0.47 0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.73 3buf h ALA 124 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3buf h ALA 124 CO 0.60 -0.60 0.67 1.49 0.00 0.00 0.00 179.25 181.41 3buf h GLU 125 N 0.36 0.14 -0.37 0.00 4.57 -1.85 0.19 114.58 117.62 3buf h GLU 125 Ca 0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 3buf h GLU 125 Cb 1.32 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3buf h GLU 125 CO -0.19 0.09 0.00 0.44 -1.18 0.00 0.00 179.01 178.17 3buf n ILE 126 N -4.36 1.05 -1.89 2.32 -5.35 -1.07 -4.70 119.36 105.36 3buf n ILE 126 Ca 0.21 -1.03 -0.35 0.00 -0.27 0.00 0.00 62.75 61.31 3buf n ILE 126 Cb 0.94 0.47 0.04 0.00 -1.74 0.00 0.00 39.64 39.36 3buf n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3buf s ALA 127 N -1.06 2.47 0.05 -1.28 0.00 0.05 -4.63 121.76 117.36 3buf s ALA 127 Ca 0.26 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.19 3buf s ALA 127 Cb 0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3buf s ALA 127 CO 0.17 -1.28 -0.15 1.03 0.00 0.00 0.00 175.76 175.52 3buf s ARG 128 N -3.54 2.14 0.45 0.00 1.81 -1.26 -3.33 118.95 115.22 3buf s ARG 128 Ca 0.75 -0.95 0.25 0.00 -1.72 0.00 0.00 55.73 54.06 3buf s ARG 128 Cb -0.28 -2.25 0.67 0.00 -0.45 0.00 0.00 34.95 32.64 3buf s ARG 128 CO 0.36 0.54 1.72 -1.00 -0.68 0.00 0.00 175.30 176.25 3buf h PRO 129 N 4.37 0.00 -3.66 3.54 0.13 -1.95 -3.47 132.00 130.96 3buf h PRO 129 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 3buf h PRO 129 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 3buf h PRO 129 CO 0.49 0.10 -0.05 0.16 -0.23 0.00 0.00 178.00 178.47 3buf s ASP 130 N -6.10 0.29 0.00 1.44 -4.77 -1.21 -5.05 116.67 101.27 3buf s ASP 130 Ca 0.04 -1.16 0.12 0.00 -3.30 0.00 0.00 52.55 48.25 3buf s ASP 130 Cb 0.07 0.68 0.60 0.00 -1.09 0.00 0.00 42.92 43.18 3buf s ASP 130 CO 0.64 -1.32 1.33 -0.90 0.70 0.00 0.00 175.17 175.62 3buf n ASP 131 N -0.97 0.00 0.13 2.11 5.68 -1.25 -1.94 116.55 120.30 3buf n ASP 131 Ca -0.02 0.21 0.13 0.00 -0.50 0.00 0.00 54.79 54.60 3buf n ASP 131 Cb 0.61 -0.34 0.39 0.00 -1.14 0.00 0.00 41.12 40.64 3buf n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3buf h SER 132 N 0.00 0.00 -2.23 -1.12 4.64 -1.94 -3.42 113.55 109.49 3buf h SER 132 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3buf h SER 132 Cb 0.14 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.14 3buf h SER 132 CO 0.00 0.00 1.05 -0.22 -0.87 0.00 0.00 176.83 176.79 3buf s LEU 133 N -4.79 3.39 0.05 5.97 2.96 -0.82 -4.98 118.68 120.47 3buf s LEU 133 Ca 0.09 -0.68 -0.31 0.00 -0.22 0.00 0.00 54.13 53.01 3buf s LEU 133 Cb 0.11 -2.54 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3buf s LEU 133 CO 0.58 -1.73 1.90 1.21 -1.32 0.00 0.00 176.35 176.99 3buf n GLU 134 N 9.05 2.70 -1.07 1.98 2.13 -1.26 -4.87 120.64 129.29 3buf n GLU 134 Ca 0.07 0.99 -0.31 0.00 0.66 0.00 0.00 57.16 58.56 3buf n GLU 134 Cb 0.49 -2.89 0.12 0.00 0.27 0.00 0.00 31.44 29.43 3buf n GLU 134 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3buf s PRO 135 N 3.64 1.68 0.15 5.31 0.02 -1.26 -4.52 135.00 140.02 3buf s PRO 135 Ca 0.87 1.23 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 3buf s PRO 135 Cb -0.51 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.23 3buf s PRO 135 CO 0.42 -2.06 1.66 0.35 -0.33 0.00 0.00 177.00 177.04 3buf h PHE 136 N -1.44 -0.36 -0.49 6.54 3.57 -1.80 -2.50 116.94 120.46 3buf h PHE 136 Ca -0.45 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 3buf h PHE 136 Cb 1.25 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 3buf h PHE 136 CO 0.53 -0.22 0.02 0.35 -2.23 0.00 0.00 178.31 176.76 3buf h PHE 137 N -0.11 0.84 -0.27 0.41 3.57 -1.92 -0.51 116.94 118.95 3buf h PHE 137 Ca 0.15 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3buf h PHE 137 Cb 0.34 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3buf h PHE 137 CO -0.34 0.76 0.05 -0.44 -2.23 0.00 0.00 178.31 176.12 3buf h ASP 138 N 0.74 0.01 -0.63 0.41 3.32 -1.89 -1.44 116.42 116.94 3buf h ASP 138 Ca 0.15 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.26 3buf h ASP 138 Cb 0.42 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3buf h ASP 138 CO 0.02 0.04 0.40 0.28 -1.72 0.00 0.00 179.24 178.26 3buf h SER 139 N 0.15 0.66 -0.27 6.45 0.02 -0.91 0.24 113.55 119.89 3buf h SER 139 Ca 0.12 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3buf h SER 139 Cb 0.12 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3buf h SER 139 CO -0.16 0.46 0.08 0.25 -1.14 0.00 0.00 176.83 176.32 3buf h LEU 140 N 0.79 0.06 -0.29 5.07 5.85 -0.90 -1.75 115.31 124.15 3buf h LEU 140 Ca 0.25 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 3buf h LEU 140 Cb -0.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3buf h LEU 140 CO -0.09 0.07 -0.18 0.58 -0.34 0.00 0.00 178.44 178.47 3buf h VAL 141 N 0.19 1.30 -0.19 1.05 2.07 -0.96 -2.25 116.25 117.46 3buf h VAL 141 Ca 0.12 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3buf h VAL 141 Cb 0.11 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3buf h VAL 141 CO -0.14 0.42 0.07 0.50 0.02 0.00 0.00 177.57 178.44 3buf h LYS 142 N 0.37 0.26 0.00 1.57 3.64 -0.85 -3.24 116.57 118.32 3buf h LYS 142 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3buf h LYS 142 Cb 0.72 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3buf h LYS 142 CO 0.05 0.22 -1.31 1.04 -2.27 0.00 0.00 179.45 177.18 3buf n GLN 143 N -4.46 0.78 -3.60 1.90 6.02 -0.67 -5.02 117.38 112.34 3buf n GLN 143 Ca -0.00 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 3buf n GLN 143 Cb 0.12 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.93 3buf n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3buf n THR 144 N -1.75 0.00 0.34 5.09 -2.24 -0.85 -5.05 114.28 109.82 3buf n THR 144 Ca 0.00 -1.60 0.11 0.00 -2.27 0.00 0.00 64.05 60.30 3buf n THR 144 Cb 0.38 0.60 0.26 0.00 -2.10 0.00 0.00 70.33 69.46 3buf n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3buf n HIS 145 N -0.60 0.56 -1.68 4.78 8.25 -1.26 -4.78 115.22 120.49 3buf n HIS 145 Ca -0.03 -0.28 -0.45 0.00 -0.26 0.00 0.00 57.72 56.70 3buf n HIS 145 Cb 0.41 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 3buf n HIS 145 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3buf n VAL 146 N 1.32 0.53 -1.64 1.59 0.31 -1.26 -4.94 118.33 114.24 3buf n VAL 146 Ca 0.20 -0.10 -0.36 0.00 -0.01 0.00 0.00 64.34 64.07 3buf n VAL 146 Cb 0.56 -2.01 0.08 0.00 -0.91 0.00 0.00 33.84 31.56 3buf n VAL 146 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3buf s PRO 147 N 3.61 2.41 -1.55 5.55 0.02 -1.26 -4.66 135.00 139.11 3buf s PRO 147 Ca 0.88 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.80 3buf s PRO 147 Cb -0.58 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.06 3buf s PRO 147 CO 0.45 -1.69 2.69 -1.71 -0.33 0.00 0.00 177.00 176.40 3buf n ASN 148 N -2.13 6.93 -3.51 2.53 5.15 -1.26 -4.25 115.26 118.73 3buf n ASN 148 Ca 0.15 -2.66 -0.12 0.00 -0.60 0.00 0.00 54.58 51.35 3buf n ASN 148 Cb 0.49 -1.58 -0.04 0.00 -0.53 0.00 0.00 39.78 38.11 3buf n ASN 148 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3buf s LEU 149 N 0.89 -0.50 0.13 1.20 2.34 -1.26 -1.38 118.68 120.11 3buf s LEU 149 Ca 0.61 0.30 -0.05 0.00 0.06 0.00 0.00 54.13 55.05 3buf s LEU 149 Cb 0.16 2.26 -0.02 0.00 -0.56 0.00 0.00 46.19 48.03 3buf s LEU 149 CO -0.07 -0.63 0.15 0.72 -1.06 0.00 0.00 176.35 175.46 3buf s PHE 150 N -2.25 0.59 0.04 3.48 -0.71 -1.02 -0.35 117.98 117.77 3buf s PHE 150 Ca -0.02 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 54.89 3buf s PHE 150 Cb -0.01 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 3buf s PHE 150 CO -0.02 -0.59 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.69 3buf s SER 151 N -2.99 0.51 -0.09 1.98 1.04 -0.27 0.18 113.70 114.05 3buf s SER 151 Ca 0.19 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3buf s SER 151 Cb 0.06 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.30 3buf s SER 151 CO -0.01 -0.37 -0.13 -0.76 0.98 0.00 0.00 173.24 172.95 3buf s LEU 152 N -2.00 1.59 -0.39 2.42 1.43 0.64 -1.27 118.68 121.10 3buf s LEU 152 Ca -0.06 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3buf s LEU 152 Cb -0.04 -0.93 0.10 0.00 0.03 0.00 0.00 46.19 45.35 3buf s LEU 152 CO -0.03 -0.00 0.17 -1.58 0.23 0.00 0.00 176.35 175.14 3buf s GLN 153 N 0.99 1.97 -0.38 1.70 0.74 0.14 -1.46 119.66 123.35 3buf s GLN 153 Ca -0.08 -1.79 -0.17 0.00 0.05 0.00 0.00 55.36 53.37 3buf s GLN 153 Cb -0.15 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.45 3buf s GLN 153 CO -0.01 -1.02 0.46 -0.51 -0.55 0.00 0.00 175.29 173.66 3buf s LEU 154 N 1.12 4.56 -0.27 3.68 1.43 -1.26 -0.49 118.68 127.45 3buf s LEU 154 Ca 0.08 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3buf s LEU 154 Cb -0.22 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3buf s LEU 154 CO -0.04 -0.51 0.15 0.00 0.23 0.00 0.00 176.35 176.18 3buf s GLY 156 N 1.69 0.79 0.00 0.00 0.00 -1.26 -2.67 107.32 105.87 3buf s GLY 156 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3buf s GLY 156 CO 0.09 3.06 0.00 1.44 0.00 0.00 0.00 173.10 177.69 3buf n SER 169 N 10.17 0.00 -4.74 1.64 7.64 -1.23 -4.95 113.62 122.15 3buf n SER 169 Ca 0.19 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 3buf n SER 169 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3buf n SER 169 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3buf s VAL 170 N 0.00 4.00 0.32 0.44 -7.23 -1.07 -5.00 120.40 111.85 3buf s VAL 170 Ca 0.00 -1.63 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3buf s VAL 170 Cb 0.00 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 3buf s VAL 170 CO 0.00 -0.36 0.41 -0.83 -0.31 0.00 0.00 175.10 174.02 3buf s GLY 171 N -3.76 1.51 0.00 2.32 0.00 -1.09 -2.04 107.32 104.25 3buf s GLY 171 Ca 0.32 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.49 3buf s GLY 171 CO 0.23 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.87 3buf n GLY 172 N -0.53 -1.26 2.88 0.20 0.00 -0.98 -1.09 105.19 104.42 3buf n GLY 172 Ca 0.02 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3buf n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3buf s SER 173 N -4.00 0.42 -0.31 1.61 0.01 0.36 -1.12 113.70 110.67 3buf s SER 173 Ca 0.00 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 3buf s SER 173 Cb 0.00 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.15 3buf s SER 173 CO 0.00 -0.03 0.01 -0.32 0.41 0.00 0.00 173.24 173.32 3buf s MET 174 N 0.45 2.25 -0.43 12.44 1.75 -1.26 -0.69 119.30 133.82 3buf s MET 174 Ca -0.04 -1.41 -0.21 0.00 -1.25 0.00 0.00 55.69 52.77 3buf s MET 174 Cb -0.07 -3.19 0.02 0.00 2.84 0.00 0.00 34.83 34.43 3buf s MET 174 CO -0.01 -0.70 0.67 0.42 -0.65 0.00 0.00 175.02 174.75 3buf s ILE 175 N 1.18 4.81 -0.17 10.11 -1.09 -0.40 -4.86 121.20 130.78 3buf s ILE 175 Ca -0.03 0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 58.42 3buf s ILE 175 Cb -0.20 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 3buf s ILE 175 CO -0.03 -0.58 0.60 -0.63 -1.23 0.00 0.00 174.94 173.07 3buf s ILE 176 N 2.89 5.06 0.00 2.92 -1.09 -1.26 -1.12 121.20 128.59 3buf s ILE 176 Ca 0.24 1.15 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 3buf s ILE 176 Cb -0.14 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3buf s ILE 176 CO 0.19 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 3buf n GLY 177 N 3.65 0.66 0.00 6.18 0.00 0.53 -4.79 105.19 111.42 3buf n GLY 177 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3buf n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3buf n GLY 178 N -2.64 1.31 3.13 -0.02 0.00 -1.23 -4.30 105.19 101.45 3buf n GLY 178 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 3buf n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3buf s ILE 179 N -2.35 1.25 -0.29 -0.61 1.01 -1.25 -4.01 121.20 114.95 3buf s ILE 179 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 3buf s ILE 179 Cb 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3buf s ILE 179 CO 0.00 0.36 0.04 -0.62 0.00 0.00 0.00 174.94 174.71 3buf s ASP 180 N -0.31 4.92 0.36 3.58 3.68 -1.26 -3.80 116.67 123.84 3buf s ASP 180 Ca 0.05 -0.87 0.27 0.00 2.13 0.00 0.00 52.55 54.13 3buf s ASP 180 Cb -0.07 -1.81 1.11 0.00 -1.45 0.00 0.00 42.92 40.71 3buf s ASP 180 CO -0.00 -0.20 1.81 0.45 0.13 0.00 0.00 175.17 177.35 3buf h HIS 181 N 8.15 0.00 0.00 -5.34 3.86 -1.88 -1.84 115.15 118.10 3buf h HIS 181 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3buf h HIS 181 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3buf h HIS 181 CO 0.60 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.26 3buf n SER 182 N -2.54 0.00 -0.32 2.45 3.41 -1.26 -3.51 113.62 111.85 3buf n SER 182 Ca 0.02 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 59.07 3buf n SER 182 Cb 0.26 -0.43 0.51 0.00 -0.26 0.00 0.00 64.21 64.29 3buf n SER 182 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3buf n LEU 183 N -1.43 1.10 -3.94 1.04 4.77 -0.69 -4.79 117.00 113.06 3buf n LEU 183 Ca 0.08 -0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 55.65 3buf n LEU 183 Cb 0.27 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3buf n LEU 183 CO 0.22 0.19 -0.07 -0.72 -1.33 0.00 0.00 177.39 175.69 3buf s TYR 184 N -2.24 0.35 0.27 -1.77 1.13 -1.23 -1.61 117.35 112.24 3buf s TYR 184 Ca 0.33 -0.74 0.11 0.00 -1.41 0.00 0.00 57.07 55.36 3buf s TYR 184 Cb 0.20 -0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.92 3buf s TYR 184 CO 0.42 -0.64 -0.19 0.95 -2.51 0.00 0.00 175.55 173.59 3buf s THR 185 N -3.94 2.35 0.00 -3.49 -4.23 -0.69 -4.77 115.64 100.87 3buf s THR 185 Ca 0.13 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.27 3buf s THR 185 Cb 0.04 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3buf s THR 185 CO -0.04 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3buf n GLY 186 N -0.59 0.45 3.52 3.99 0.00 -1.26 -3.68 105.19 107.62 3buf n GLY 186 Ca -0.05 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 3buf n GLY 186 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3buf s SER 187 N -4.00 4.00 0.21 1.61 0.15 -1.26 -5.00 113.70 109.41 3buf s SER 187 Ca 0.00 -0.60 -0.30 0.00 0.70 0.00 0.00 55.95 55.75 3buf s SER 187 Cb 0.00 -0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 63.64 3buf s SER 187 CO 0.00 0.14 1.00 -0.76 1.20 0.00 0.00 173.24 174.81 3buf s LEU 188 N -2.51 4.58 -0.06 3.45 1.43 -1.26 -4.49 118.68 119.82 3buf s LEU 188 Ca 0.21 1.99 0.05 0.00 -1.03 0.00 0.00 54.13 55.35 3buf s LEU 188 Cb -0.09 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3buf s LEU 188 CO 0.12 0.00 -0.22 0.26 0.23 0.00 0.00 176.35 176.75 3buf s TRP 189 N -0.76 2.16 -0.07 0.29 0.52 -0.11 -4.90 118.94 116.07 3buf s TRP 189 Ca 0.44 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.89 3buf s TRP 189 Cb -0.27 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 3buf s TRP 189 CO 0.33 -0.23 -0.07 0.71 0.02 0.00 0.00 176.95 177.71 3buf s TYR 190 N 0.01 2.92 -0.03 -1.98 1.51 -1.26 -0.19 117.35 118.32 3buf s TYR 190 Ca -0.06 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 3buf s TYR 190 Cb -0.14 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3buf s TYR 190 CO 0.04 0.31 -0.24 -0.08 -1.11 0.00 0.00 175.55 174.46 3buf s THR 191 N -0.76 1.96 0.31 -0.71 -1.32 -0.11 -3.57 115.64 111.44 3buf s THR 191 Ca 0.12 -1.04 -0.29 0.00 -1.21 0.00 0.00 61.69 59.26 3buf s THR 191 Cb -0.11 -1.64 -0.10 0.00 -1.51 0.00 0.00 72.50 69.13 3buf s THR 191 CO 0.01 0.55 1.35 -2.84 -2.21 0.00 0.00 174.62 171.49 3buf s PRO 192 N -0.40 4.31 -0.20 7.08 0.02 -1.26 -0.46 135.00 144.11 3buf s PRO 192 Ca 0.04 2.26 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 3buf s PRO 192 Cb -0.11 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3buf s PRO 192 CO 0.01 -0.28 1.48 0.42 -0.33 0.00 0.00 177.00 178.31 3buf s ILE 193 N -0.83 3.89 0.10 2.83 1.01 0.23 -4.54 121.20 123.88 3buf s ILE 193 Ca 0.52 1.04 -0.15 0.00 0.00 0.00 0.00 60.65 62.05 3buf s ILE 193 Cb -0.41 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 3buf s ILE 193 CO 0.51 -0.26 1.44 -0.09 0.00 0.00 0.00 174.94 176.54 3buf h ARG 194 N 9.69 0.69 -3.23 2.79 2.43 -0.83 -3.45 114.38 122.46 3buf h ARG 194 Ca -0.32 -0.34 -0.14 0.00 -0.81 0.00 0.00 59.98 58.37 3buf h ARG 194 Cb 1.14 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.47 3buf h ARG 194 CO 0.99 0.95 -0.40 0.50 -1.51 0.00 0.00 179.97 180.50 3buf s ARG 195 N -4.45 0.48 -1.19 0.20 3.52 -1.26 -5.08 118.95 111.17 3buf s ARG 195 Ca -0.12 -0.08 -0.14 0.00 -0.13 0.00 0.00 55.73 55.26 3buf s ARG 195 Cb 0.09 0.21 0.18 0.00 -1.56 0.00 0.00 34.95 33.87 3buf s ARG 195 CO 0.82 -0.11 1.40 -1.21 -0.81 0.00 0.00 175.30 175.39 3buf s GLU 196 N -0.85 4.08 0.00 5.12 2.02 -1.26 -4.04 118.70 123.77 3buf s GLU 196 Ca -0.09 -2.60 0.00 0.00 0.02 0.00 0.00 54.97 52.30 3buf s GLU 196 Cb -0.05 -5.02 0.00 0.00 0.10 0.00 0.00 34.13 29.16 3buf s GLU 196 CO 0.02 -1.73 0.00 -2.67 0.02 0.00 0.00 175.26 170.90 3buf n TRP 197 N 5.45 0.00 -1.81 1.61 4.27 -1.26 -4.55 117.44 121.15 3buf n TRP 197 Ca 0.35 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.67 3buf n TRP 197 Cb 0.43 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.49 3buf n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3buf s TYR 198 N 0.00 2.65 -1.30 -2.67 2.02 -1.26 -1.53 117.35 115.26 3buf s TYR 198 Ca 0.00 0.72 -0.18 0.00 -0.37 0.00 0.00 57.07 57.24 3buf s TYR 198 Cb 0.00 -3.54 0.05 0.00 -0.40 0.00 0.00 41.96 38.07 3buf s TYR 198 CO 0.00 -2.05 1.78 0.66 -1.57 0.00 0.00 175.55 174.37 3buf n TYR 199 N -3.50 4.45 -3.01 2.71 4.02 -1.26 -4.82 117.16 115.75 3buf n TYR 199 Ca 0.09 -2.73 -0.40 0.00 -0.01 0.00 0.00 57.90 54.85 3buf n TYR 199 Cb 0.60 -2.63 -0.05 0.00 -0.02 0.00 0.00 39.34 37.24 3buf n TYR 199 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3buf s GLU 200 N 4.38 4.46 0.38 -0.72 2.12 -1.26 -1.96 118.70 126.10 3buf s GLU 200 Ca 0.55 0.98 0.04 0.00 0.36 0.00 0.00 54.97 56.90 3buf s GLU 200 Cb 0.04 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 3buf s GLU 200 CO 0.08 0.19 0.14 0.14 -0.54 0.00 0.00 175.26 175.27 3buf s VAL 201 N 0.33 0.53 -0.15 3.70 -7.23 -0.20 -0.11 120.40 117.27 3buf s VAL 201 Ca 0.38 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3buf s VAL 201 Cb -0.19 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.36 3buf s VAL 201 CO 0.21 0.00 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.20 3buf s ILE 202 N -3.30 1.76 -0.11 -0.62 1.01 -1.26 -4.05 121.20 114.63 3buf s ILE 202 Ca 0.28 -0.76 -0.21 0.00 0.00 0.00 0.00 60.65 59.96 3buf s ILE 202 Cb 0.03 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3buf s ILE 202 CO 0.16 0.49 0.60 -0.63 0.00 0.00 0.00 174.94 175.56 3buf s ILE 203 N 1.33 5.10 -0.32 2.92 1.01 -1.26 -1.67 121.20 128.31 3buf s ILE 203 Ca 0.03 1.20 0.10 0.00 0.00 0.00 0.00 60.65 61.97 3buf s ILE 203 Cb -0.13 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.29 3buf s ILE 203 CO -0.10 0.25 0.35 1.33 0.00 0.00 0.00 174.94 176.77 3buf n VAL 204 N 3.91 0.00 -3.62 2.92 0.24 0.47 -4.72 118.33 117.53 3buf n VAL 204 Ca -0.04 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.90 3buf n VAL 204 Cb 0.51 0.77 -0.07 0.00 -1.47 0.00 0.00 33.84 33.59 3buf n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3buf s ARG 205 N -2.15 0.58 -0.06 7.34 3.52 -1.21 -4.82 118.95 122.14 3buf s ARG 205 Ca 0.01 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3buf s ARG 205 Cb 0.07 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 3buf s ARG 205 CO 0.40 -0.10 -0.13 0.08 -0.81 0.00 0.00 175.30 174.74 3buf s VAL 206 N -0.07 1.15 -0.03 7.11 1.01 -1.26 -0.50 120.40 127.81 3buf s VAL 206 Ca 0.01 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3buf s VAL 206 Cb -0.04 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3buf s VAL 206 CO -0.03 0.36 -0.24 -1.61 0.00 0.00 0.00 175.10 173.57 3buf s GLU 207 N 0.59 2.03 -0.24 2.72 2.02 -0.32 -1.83 118.70 123.68 3buf s GLU 207 Ca -0.13 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 3buf s GLU 207 Cb -0.15 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3buf s GLU 207 CO 0.04 0.48 -0.03 0.42 0.02 0.00 0.00 175.26 176.18 3buf s ILE 208 N -0.46 3.33 -1.47 -1.63 -1.09 -0.13 -1.21 121.20 118.54 3buf s ILE 208 Ca 0.06 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 3buf s ILE 208 Cb -0.10 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 3buf s ILE 208 CO 0.00 0.32 0.00 -3.20 -1.23 0.00 0.00 174.94 170.83 3buf n ASN 209 N 4.78 -5.49 0.00 3.58 5.15 0.07 -1.29 115.26 122.06 3buf n ASN 209 Ca -0.17 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 3buf n ASN 209 Cb 0.49 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 3buf n ASN 209 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3buf n GLY 210 N -0.19 0.83 3.33 8.20 0.00 -1.26 -4.95 105.19 111.15 3buf n GLY 210 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3buf n GLY 210 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3buf s GLN 211 N -0.86 3.38 0.48 1.61 -0.21 -0.41 -5.03 119.66 118.62 3buf s GLN 211 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 55.36 54.50 3buf s GLN 211 Cb 0.00 -2.87 -0.08 0.00 1.00 0.00 0.00 33.01 31.06 3buf s GLN 211 CO 0.00 -0.05 1.29 -3.47 -2.12 0.00 0.00 175.29 170.94 3buf n ASP 212 N 4.35 2.56 0.20 5.90 2.03 -1.26 -0.95 116.55 129.37 3buf n ASP 212 Ca -0.18 1.05 0.09 0.00 0.52 0.00 0.00 54.79 56.27 3buf n ASP 212 Cb 0.51 -1.53 0.19 0.00 -0.72 0.00 0.00 41.12 39.57 3buf n ASP 212 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3buf h LEU 213 N 1.79 0.00 0.82 -2.67 4.07 -1.75 -3.46 115.31 114.10 3buf h LEU 213 Ca -0.49 0.00 -0.38 0.00 0.08 0.00 0.00 57.88 57.09 3buf h LEU 213 Cb 1.30 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.10 3buf h LEU 213 CO 0.58 0.16 -0.56 0.29 -1.08 0.00 0.00 178.44 177.83 3buf n LYS 214 N -3.16 -4.65 -3.84 1.13 5.02 -1.26 -5.00 118.16 106.40 3buf n LYS 214 Ca 0.03 0.84 -0.31 0.00 -2.02 0.00 0.00 58.31 56.85 3buf n LYS 214 Cb 0.57 -5.56 -0.04 0.00 -0.02 0.00 0.00 35.03 29.97 3buf n LYS 214 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3buf s MET 215 N -5.63 3.50 -0.23 1.97 -1.94 -1.26 -5.04 119.30 110.67 3buf s MET 215 Ca 0.29 -0.34 -0.37 0.00 -1.71 0.00 0.00 55.69 53.56 3buf s MET 215 Cb -0.13 -2.97 -0.13 0.00 2.01 0.00 0.00 34.83 33.61 3buf s MET 215 CO 0.36 0.55 1.89 -3.47 -0.01 0.00 0.00 175.02 174.35 3buf n ASP 216 N 0.15 2.72 0.29 3.03 -0.08 -1.26 -4.82 116.55 116.58 3buf n ASP 216 Ca -0.04 0.89 0.15 0.00 -1.51 0.00 0.00 54.79 54.28 3buf n ASP 216 Cb 0.51 -1.25 0.90 0.00 2.34 0.00 0.00 41.12 43.62 3buf n ASP 216 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3buf h LYS 218 N 0.00 0.20 0.00 0.00 3.64 -1.75 -1.30 116.57 117.36 3buf h LYS 218 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3buf h LYS 218 Cb 0.02 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3buf h LYS 218 CO 0.00 0.13 -0.06 1.05 -2.27 0.00 0.00 179.45 178.30 3buf h GLU 219 N 0.20 0.00 0.00 1.90 4.11 -1.35 -2.58 114.58 116.86 3buf h GLU 219 Ca 0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.89 3buf h GLU 219 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 3buf h GLU 219 CO -0.11 0.06 -0.05 1.88 0.07 0.00 0.00 179.01 180.87 3buf h TYR 220 N 0.00 0.00 0.00 2.06 0.99 -1.37 -2.69 116.97 115.96 3buf h TYR 220 Ca -0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3buf h TYR 220 Cb 0.93 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.63 3buf h TYR 220 CO 0.00 0.05 -0.39 0.09 -0.00 0.00 0.00 178.16 177.91 3buf n ASN 221 N -3.28 1.80 -4.60 3.88 3.02 -1.04 -4.41 115.26 110.63 3buf n ASN 221 Ca -0.01 -3.48 -0.43 0.00 -0.03 0.00 0.00 54.58 50.63 3buf n ASN 221 Cb 0.22 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 3buf n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3buf s TYR 222 N -2.81 1.88 0.00 3.10 5.04 -1.00 -1.20 117.35 122.36 3buf s TYR 222 Ca 0.35 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 3buf s TYR 222 Cb 0.33 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.49 3buf s TYR 222 CO -0.04 -2.83 0.00 -3.47 -1.34 0.00 0.00 175.55 167.87 3buf n ASP 223 N 10.09 0.00 -3.64 4.32 4.64 -1.26 -3.81 116.55 126.88 3buf n ASP 223 Ca 0.22 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 53.59 3buf n ASP 223 Cb 0.47 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.53 3buf n ASP 223 CO 0.00 0.00 0.00 -1.59 -0.82 0.00 0.00 177.20 174.79 3buf s LYS 224 N 0.00 0.88 -0.06 -0.67 -2.85 -0.34 -4.69 119.74 112.01 3buf s LYS 224 Ca 0.00 -0.43 0.03 0.00 -1.00 0.00 0.00 55.97 54.57 3buf s LYS 224 Cb 0.00 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3buf s LYS 224 CO 0.00 -0.40 -0.14 -1.12 0.10 0.00 0.00 175.35 173.80 3buf s SER 225 N -2.73 1.86 0.11 0.03 0.01 -1.26 -0.12 113.70 111.60 3buf s SER 225 Ca 0.10 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.08 3buf s SER 225 Cb -0.00 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 3buf s SER 225 CO -0.03 0.07 -0.08 0.27 0.41 0.00 0.00 173.24 173.88 3buf s ILE 226 N 0.44 0.85 -0.29 1.44 -4.36 -0.26 -1.03 121.20 117.99 3buf s ILE 226 Ca -0.11 -1.96 -0.08 0.00 -0.26 0.00 0.00 60.65 58.24 3buf s ILE 226 Cb -0.14 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 41.85 3buf s ILE 226 CO 0.03 -0.82 0.11 -0.69 0.24 0.00 0.00 174.94 173.82 3buf s VAL 227 N -3.46 4.33 -0.22 8.37 1.01 -0.83 -0.52 120.40 129.07 3buf s VAL 227 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3buf s VAL 227 Cb 0.04 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.31 3buf s VAL 227 CO -0.03 0.13 0.07 -0.62 0.00 0.00 0.00 175.10 174.65 3buf s ASP 228 N 1.58 3.08 0.09 3.32 2.15 -0.94 -4.51 116.67 121.44 3buf s ASP 228 Ca 0.04 -0.99 0.24 0.00 0.43 0.00 0.00 52.55 52.27 3buf s ASP 228 Cb -0.17 -0.52 0.94 0.00 -0.30 0.00 0.00 42.92 42.87 3buf s ASP 228 CO 0.04 -0.36 1.73 -1.54 -0.17 0.00 0.00 175.17 174.88 3buf n SER 229 N 5.10 0.28 -0.26 -0.34 3.41 -1.26 -2.77 113.62 117.78 3buf n SER 229 Ca -0.07 0.54 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 3buf n SER 229 Cb 0.46 -0.61 0.51 0.00 -0.26 0.00 0.00 64.21 64.31 3buf n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3buf n GLY 230 N 0.80 -0.55 3.72 5.00 0.00 -1.26 -4.66 105.19 108.24 3buf n GLY 230 Ca 0.05 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 3buf n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3buf s THR 231 N -2.33 4.66 -0.11 2.61 2.01 -1.11 -4.97 115.64 116.40 3buf s THR 231 Ca 0.31 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 3buf s THR 231 Cb 0.20 -3.00 -0.23 0.00 0.01 0.00 0.00 72.50 69.48 3buf s THR 231 CO 0.45 0.59 0.82 0.74 -0.69 0.00 0.00 174.62 176.52 3buf h THR 232 N 4.24 1.55 -3.89 -0.82 2.02 -1.87 0.15 112.91 114.28 3buf h THR 232 Ca -0.49 -1.96 -0.48 0.00 0.77 0.00 0.00 66.41 64.24 3buf h THR 232 Cb 1.20 2.82 0.06 0.00 -1.74 0.00 0.00 68.15 70.49 3buf h THR 232 CO 0.58 0.49 0.24 0.20 0.37 0.00 0.00 175.52 177.40 3buf s ASN 233 N -6.03 5.60 -0.35 4.18 -0.87 -1.26 -1.18 114.94 115.02 3buf s ASN 233 Ca -0.17 0.85 -0.29 0.00 -1.57 0.00 0.00 52.86 51.69 3buf s ASN 233 Cb -0.02 -1.81 0.02 0.00 -0.02 0.00 0.00 41.25 39.42 3buf s ASN 233 CO 0.63 -1.11 1.13 -0.22 -2.57 0.00 0.00 177.10 174.96 3buf s LEU 234 N -5.08 3.85 -0.16 0.60 0.20 -0.44 -2.67 118.68 114.98 3buf s LEU 234 Ca 0.55 0.95 -0.05 0.00 0.69 0.00 0.00 54.13 56.26 3buf s LEU 234 Cb -0.11 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.07 3buf s LEU 234 CO 0.47 -1.01 0.02 -0.13 -0.29 0.00 0.00 176.35 175.42 3buf s ARG 235 N 3.94 3.73 0.02 1.98 0.52 -0.15 -1.79 118.95 127.21 3buf s ARG 235 Ca 0.48 -0.41 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 3buf s ARG 235 Cb -0.12 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 3buf s ARG 235 CO 0.21 0.33 -0.22 -0.51 0.02 0.00 0.00 175.30 175.13 3buf s LEU 236 N 0.17 2.12 0.44 2.53 1.43 -0.07 -0.18 118.68 125.11 3buf s LEU 236 Ca 0.02 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 3buf s LEU 236 Cb -0.13 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 44.93 3buf s LEU 236 CO 0.01 0.21 1.06 -2.65 0.23 0.00 0.00 176.35 175.22 3buf n PRO 237 N 2.10 1.43 -0.37 1.29 -0.02 -1.26 -1.75 135.00 136.43 3buf n PRO 237 Ca -0.16 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 61.77 3buf n PRO 237 Cb 0.53 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3buf n PRO 237 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3buf h LYS 238 N 1.56 -0.04 -0.66 -0.52 3.64 -1.90 0.35 116.57 119.01 3buf h LYS 238 Ca -0.45 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3buf h LYS 238 Cb 1.33 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 3buf h LYS 238 CO 0.57 -0.02 0.27 0.87 -2.27 0.00 0.00 179.45 178.87 3buf h LYS 239 N -0.04 0.97 -0.23 1.90 1.57 -1.92 -0.24 116.57 118.59 3buf h LYS 239 Ca 0.25 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3buf h LYS 239 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3buf h LYS 239 CO -0.92 0.78 -0.37 0.28 -0.57 0.00 0.00 179.45 178.65 3buf h VAL 240 N 0.95 1.32 -0.52 0.50 2.07 -1.34 -2.32 116.25 116.92 3buf h VAL 240 Ca 0.22 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3buf h VAL 240 Cb 0.17 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3buf h VAL 240 CO -0.02 0.49 0.29 0.15 0.02 0.00 0.00 177.57 178.50 3buf h PHE 241 N 0.35 0.54 -0.35 1.57 3.57 -0.07 0.25 116.94 122.79 3buf h PHE 241 Ca 0.02 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3buf h PHE 241 Cb 0.96 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 3buf h PHE 241 CO 0.08 0.29 -0.19 1.49 -2.23 0.00 0.00 178.31 177.75 3buf h GLU 242 N 0.57 -0.14 -0.27 1.11 4.81 -0.97 0.95 114.58 120.64 3buf h GLU 242 Ca 0.22 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 3buf h GLU 242 Cb 0.07 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3buf h GLU 242 CO -0.12 -0.09 -0.50 0.00 -0.73 0.00 0.00 179.01 177.57 3buf h ALA 243 N 1.09 0.60 0.10 2.92 0.00 -1.03 -2.20 119.26 120.74 3buf h ALA 243 Ca 0.18 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3buf h ALA 243 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3buf h ALA 243 CO -0.44 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 3buf h ALA 244 N 0.83 -0.14 -0.31 0.00 0.00 -0.19 -1.60 119.26 117.85 3buf h ALA 244 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3buf h ALA 244 Cb 1.08 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3buf h ALA 244 CO 0.11 -0.54 0.20 0.28 0.00 0.00 0.00 179.25 179.30 3buf h VAL 245 N -0.22 1.09 -0.45 0.00 2.07 -0.85 -0.01 116.25 117.89 3buf h VAL 245 Ca -0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3buf h VAL 245 Cb 0.18 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3buf h VAL 245 CO 0.02 0.09 0.30 0.00 0.02 0.00 0.00 177.57 178.00 3buf h ALA 246 N 1.10 2.07 0.22 1.67 0.00 -1.32 0.45 119.26 123.44 3buf h ALA 246 Ca 0.11 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 3buf h ALA 246 Cb -0.03 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3buf h ALA 246 CO -0.02 -0.17 -1.55 1.03 0.00 0.00 0.00 179.25 178.54 3buf h SER 247 N 0.27 0.72 -0.47 0.00 0.87 -0.70 -2.64 113.55 111.59 3buf h SER 247 Ca 0.20 -0.85 -0.13 0.00 -1.23 0.00 0.00 61.79 59.78 3buf h SER 247 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3buf h SER 247 CO -0.04 1.69 -0.23 0.40 -0.53 0.00 0.00 176.83 178.12 3buf h ILE 248 N 0.12 1.27 -0.44 2.23 2.04 -0.63 -1.58 117.51 120.53 3buf h ILE 248 Ca -0.27 -1.39 0.07 0.00 1.00 0.00 0.00 64.86 64.27 3buf h ILE 248 Cb 2.13 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.31 3buf h ILE 248 CO 0.24 0.48 0.11 0.50 0.00 0.00 0.00 178.15 179.47 3buf h LYS 249 N 0.82 0.24 0.00 2.37 3.64 -0.21 -1.68 116.57 121.76 3buf h LYS 249 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3buf h LYS 249 Cb 0.81 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3buf h LYS 249 CO 0.07 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.41 3buf h ALA 250 N 1.32 1.00 -0.00 5.00 0.00 -1.37 -2.69 119.26 122.52 3buf h ALA 250 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3buf h ALA 250 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3buf h ALA 250 CO -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.60 3buf n ALA 251 N -2.09 3.29 -2.35 0.00 0.00 -0.60 -4.25 120.51 114.52 3buf n ALA 251 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.17 3buf n ALA 251 Cb 0.37 -1.19 0.06 0.00 0.00 0.00 0.00 19.45 18.69 3buf n ALA 251 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3buf n SER 252 N -1.46 1.50 -4.62 0.00 3.41 -0.70 -4.75 113.62 107.01 3buf n SER 252 Ca 0.06 -2.50 -0.43 0.00 -0.26 0.00 0.00 58.87 55.74 3buf n SER 252 Cb 0.34 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3buf n SER 252 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3buf s SER 253 N -2.68 6.36 0.00 4.04 1.04 -1.04 -4.98 113.70 116.44 3buf s SER 253 Ca 0.35 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.00 3buf s SER 253 Cb 0.37 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.96 3buf s SER 253 CO -0.11 -1.34 0.00 0.49 0.98 0.00 0.00 173.24 173.26 3buf n PHE 257 N 8.64 0.00 -1.47 5.02 0.99 -1.26 -5.13 117.46 124.25 3buf n PHE 257 Ca 0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.26 3buf n PHE 257 Cb 0.47 0.00 0.08 0.00 -1.00 0.00 0.00 39.48 39.02 3buf n PHE 257 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3buf n PRO 258 N -0.10 0.68 0.09 -1.08 -0.02 -1.26 -4.94 135.00 128.38 3buf n PRO 258 Ca 0.00 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.72 3buf n PRO 258 Cb 0.00 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.33 3buf n PRO 258 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3buf h ASP 259 N 0.02 0.26 1.35 2.55 3.45 -2.03 -3.18 116.42 118.84 3buf h ASP 259 Ca -0.48 -0.15 0.00 0.00 0.43 0.00 0.00 57.03 56.83 3buf h ASP 259 Cb 1.34 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3buf h ASP 259 CO 0.49 0.81 0.00 1.23 -1.57 0.00 0.00 179.24 180.20 3buf h GLY 260 N 1.50 0.00 1.00 2.75 0.00 -1.94 -3.19 103.07 103.18 3buf h GLY 260 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3buf h GLY 260 CO 0.09 0.00 0.36 -2.75 0.00 0.00 0.00 176.54 174.24 3buf h PHE 261 N 0.00 0.90 0.00 5.60 3.57 -1.71 0.10 116.94 125.40 3buf h PHE 261 Ca 0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 3buf h PHE 261 Cb 0.68 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3buf h PHE 261 CO 0.00 0.64 -0.21 -1.49 -2.23 0.00 0.00 178.31 175.02 3buf h TRP 262 N 0.89 0.00 -0.04 0.41 4.06 -1.72 -2.62 115.95 116.93 3buf h TRP 262 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3buf h TRP 262 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3buf h TRP 262 CO -0.01 0.21 0.00 1.28 -3.56 0.00 0.00 178.44 176.36 3buf n LEU 263 N -3.80 2.03 -1.38 -4.49 4.77 -1.02 -4.89 117.00 108.23 3buf n LEU 263 Ca -0.02 -0.69 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 3buf n LEU 263 Cb 0.31 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3buf n LEU 263 CO 0.34 0.35 -0.09 0.61 -1.33 0.00 0.00 177.39 177.26 3buf n GLY 264 N 1.24 -0.03 0.00 -0.72 0.00 -0.94 -4.93 105.19 99.81 3buf n GLY 264 Ca 0.17 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.90 3buf n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3buf n GLU 265 N -2.17 0.10 -3.53 1.61 1.02 0.32 -4.97 120.64 113.03 3buf n GLU 265 Ca -0.11 -0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 56.86 3buf n GLU 265 Cb 0.59 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3buf n GLU 265 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3buf s GLN 266 N -3.08 0.95 0.68 3.49 -2.07 -1.21 -4.95 119.66 113.47 3buf s GLN 266 Ca 0.06 0.16 -0.08 0.00 -1.82 0.00 0.00 55.36 53.68 3buf s GLN 266 Cb 0.16 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.56 3buf s GLN 266 CO 0.85 -0.31 1.01 -0.51 -1.32 0.00 0.00 175.29 175.01 3buf s LEU 267 N -1.33 2.93 -0.05 2.60 1.43 -1.26 -4.17 118.68 118.83 3buf s LEU 267 Ca -0.07 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3buf s LEU 267 Cb -0.00 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3buf s LEU 267 CO 0.06 -1.42 -0.11 -0.69 0.23 0.00 0.00 176.35 174.41 3buf s VAL 268 N -3.22 1.00 0.02 -1.59 1.01 -1.09 -4.97 120.40 111.57 3buf s VAL 268 Ca 0.58 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3buf s VAL 268 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3buf s VAL 268 CO 0.46 0.32 -0.11 0.00 0.00 0.00 0.00 175.10 175.77 3buf s TRP 270 N -0.97 1.50 0.34 0.00 0.51 -0.35 -4.98 118.94 114.99 3buf s TRP 270 Ca 0.16 -1.19 -0.27 0.00 -2.12 0.00 0.00 56.10 52.68 3buf s TRP 270 Cb -0.11 -0.87 -0.09 0.00 -0.81 0.00 0.00 33.47 31.59 3buf s TRP 270 CO 0.07 -0.35 1.10 -1.14 -0.51 0.00 0.00 176.95 176.12 3buf s GLN 271 N -4.04 4.39 -1.01 4.98 0.74 -1.26 -1.84 119.66 121.63 3buf s GLN 271 Ca 0.38 1.74 -0.25 0.00 0.05 0.00 0.00 55.36 57.28 3buf s GLN 271 Cb 0.08 -2.91 -0.11 0.00 1.10 0.00 0.00 33.01 31.16 3buf s GLN 271 CO 0.13 0.01 2.06 0.00 -0.55 0.00 0.00 175.29 176.94 3buf s ALA 272 N -1.34 1.27 0.00 1.58 0.00 -1.26 -4.83 121.76 117.18 3buf s ALA 272 Ca 0.51 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3buf s ALA 272 Cb -0.29 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.20 3buf s ALA 272 CO 0.37 -5.60 0.00 0.91 0.00 0.00 0.00 175.76 171.44 3buf n TRP 277 N 16.18 0.00 0.25 0.00 5.03 -1.26 -5.10 117.44 132.54 3buf n TRP 277 Ca 0.43 0.00 0.13 0.00 3.03 0.00 0.00 57.50 61.09 3buf n TRP 277 Cb 0.46 0.00 0.60 0.00 -1.03 0.00 0.00 31.31 31.34 3buf n TRP 277 CO 0.00 0.00 0.00 -0.91 -0.03 0.00 0.00 177.69 176.75 3buf h ASN 278 N 0.00 0.00 0.87 -0.99 4.21 -2.03 -1.34 115.58 116.30 3buf h ASN 278 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3buf h ASN 278 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3buf h ASN 278 CO 0.00 0.15 0.00 0.16 -1.29 0.00 0.00 177.43 176.45 3buf h ILE 279 N 0.00 0.00 -2.99 2.81 3.07 -1.99 -3.43 117.51 114.98 3buf h ILE 279 Ca -0.00 -0.43 -0.62 0.00 1.55 0.00 0.00 64.86 65.35 3buf h ILE 279 Cb 0.56 1.43 -0.08 0.00 -0.27 0.00 0.00 36.82 38.47 3buf h ILE 279 CO 0.02 0.00 -0.35 -0.36 -1.05 0.00 0.00 178.15 176.41 3buf s PHE 280 N -3.74 3.58 0.65 0.16 0.08 -0.50 -4.01 117.98 114.19 3buf s PHE 280 Ca 0.00 0.67 -0.09 0.00 0.12 0.00 0.00 56.93 57.63 3buf s PHE 280 Cb 0.10 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3buf s PHE 280 CO 0.52 0.53 1.00 -1.25 -0.10 0.00 0.00 175.22 175.92 3buf s PRO 281 N -0.48 2.90 0.48 0.24 0.04 -1.26 -4.82 135.00 132.10 3buf s PRO 281 Ca 0.17 0.24 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 3buf s PRO 281 Cb -0.14 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 3buf s PRO 281 CO 0.06 -0.86 0.94 0.14 0.04 0.00 0.00 177.00 177.32 3buf s VAL 282 N -3.18 4.54 -0.15 -0.36 -7.23 -1.26 -4.34 120.40 108.42 3buf s VAL 282 Ca 0.56 1.18 0.02 0.00 -1.81 0.00 0.00 61.98 61.93 3buf s VAL 282 Cb -0.11 -3.69 0.01 0.00 0.56 0.00 0.00 36.38 33.15 3buf s VAL 282 CO 0.49 -0.57 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.87 3buf s ILE 283 N -2.48 2.01 -0.20 -0.62 1.01 -0.84 -0.75 121.20 119.34 3buf s ILE 283 Ca 0.58 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3buf s ILE 283 Cb -0.10 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3buf s ILE 283 CO 0.27 0.54 0.01 -0.44 0.00 0.00 0.00 174.94 175.32 3buf s SER 284 N 1.00 4.94 -0.18 3.58 0.01 -0.35 -0.90 113.70 121.79 3buf s SER 284 Ca -0.03 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 3buf s SER 284 Cb -0.15 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 3buf s SER 284 CO -0.06 0.08 -0.01 -0.76 0.41 0.00 0.00 173.24 172.90 3buf s LEU 285 N 0.89 3.29 -0.21 2.44 1.43 -0.07 -1.18 118.68 125.28 3buf s LEU 285 Ca 0.01 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3buf s LEU 285 Cb -0.14 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3buf s LEU 285 CO 0.02 0.12 0.21 -0.31 0.23 0.00 0.00 176.35 176.62 3buf s TYR 286 N 0.66 3.38 0.09 0.29 1.51 0.35 -0.57 117.35 123.06 3buf s TYR 286 Ca -0.01 0.39 0.06 0.00 -1.01 0.00 0.00 57.07 56.50 3buf s TYR 286 Cb -0.14 -2.29 -0.04 0.00 -0.11 0.00 0.00 41.96 39.38 3buf s TYR 286 CO 0.02 0.15 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.04 3buf s LEU 287 N 0.78 3.21 0.27 -1.29 1.43 0.34 -0.39 118.68 123.02 3buf s LEU 287 Ca 0.11 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 3buf s LEU 287 Cb -0.13 -1.97 -0.12 0.00 0.03 0.00 0.00 46.19 44.00 3buf s LEU 287 CO 0.03 0.18 1.60 0.80 0.23 0.00 0.00 176.35 179.20 3buf n MET 288 N 0.69 2.64 -0.81 1.70 0.00 -0.67 -2.00 117.12 118.66 3buf n MET 288 Ca -0.12 0.94 -0.04 0.00 -0.00 0.00 0.00 57.70 58.48 3buf n MET 288 Cb 0.52 -2.73 0.02 0.00 0.00 0.00 0.00 33.22 31.04 3buf n MET 288 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3buf n GLY 289 N 2.55 0.45 0.13 -5.12 0.00 0.25 -4.13 105.19 99.31 3buf n GLY 289 Ca 0.10 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.33 3buf n GLY 289 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3buf h GLU 290 N 0.00 0.00 -6.17 1.61 5.08 -1.76 -3.40 114.58 109.93 3buf h GLU 290 Ca -0.05 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.62 3buf h GLU 290 Cb 0.18 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.19 3buf h GLU 290 CO 0.05 0.00 -0.78 0.08 -1.00 0.00 0.00 179.01 177.36 3buf s VAL 291 N -3.17 2.94 -0.08 3.13 1.01 -1.26 -5.07 120.40 117.90 3buf s VAL 291 Ca 0.08 -0.76 -0.41 0.00 0.00 0.00 0.00 61.98 60.89 3buf s VAL 291 Cb 0.10 -2.15 -0.19 0.00 0.00 0.00 0.00 36.38 34.13 3buf s VAL 291 CO 0.66 0.58 1.21 0.41 0.00 0.00 0.00 175.10 177.96 3buf n THR 292 N 2.54 0.01 -1.06 3.92 -1.04 -1.26 -0.49 114.28 116.89 3buf n THR 292 Ca -0.17 -0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.81 3buf n THR 292 Cb 0.52 -0.22 -0.01 0.00 -1.82 0.00 0.00 70.33 68.80 3buf n THR 292 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3buf n ASN 293 N 2.15 -5.17 -4.35 8.00 3.02 -1.26 -4.98 115.26 112.67 3buf n ASN 293 Ca 0.22 0.05 -0.33 0.00 -0.03 0.00 0.00 54.58 54.49 3buf n ASN 293 Cb 0.07 -2.86 -0.14 0.00 -0.61 0.00 0.00 39.78 36.23 3buf n ASN 293 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3buf s GLN 294 N -1.74 3.36 0.44 3.52 -0.44 0.35 -1.08 119.66 124.08 3buf s GLN 294 Ca 0.00 -0.69 0.03 0.00 -2.50 0.00 0.00 55.36 52.20 3buf s GLN 294 Cb 0.00 -2.68 -0.03 0.00 -1.64 0.00 0.00 33.01 28.66 3buf s GLN 294 CO 0.00 0.13 0.06 -1.54 0.50 0.00 0.00 175.29 174.44 3buf s SER 295 N 0.56 3.35 0.16 6.67 1.04 0.21 -0.59 113.70 125.12 3buf s SER 295 Ca -0.08 -1.61 -0.02 0.00 0.48 0.00 0.00 55.95 54.72 3buf s SER 295 Cb -0.16 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3buf s SER 295 CO 0.03 -0.82 0.13 0.72 0.98 0.00 0.00 173.24 174.28 3buf s PHE 296 N -3.05 0.89 0.02 5.02 -0.12 -0.85 -0.74 117.98 119.16 3buf s PHE 296 Ca 0.19 -1.21 0.06 0.00 -0.05 0.00 0.00 56.93 55.92 3buf s PHE 296 Cb 0.04 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.98 3buf s PHE 296 CO 0.11 -0.61 -0.17 -0.98 -0.05 0.00 0.00 175.22 173.52 3buf s ARG 297 N -4.08 1.20 -0.09 1.99 1.70 0.65 -0.51 118.95 119.82 3buf s ARG 297 Ca 0.28 -0.76 -0.01 0.00 -0.47 0.00 0.00 55.73 54.77 3buf s ARG 297 Cb 0.06 -1.23 -0.03 0.00 -0.57 0.00 0.00 34.95 33.18 3buf s ARG 297 CO 0.06 0.32 -0.02 0.96 -1.08 0.00 0.00 175.30 175.53 3buf s ILE 298 N -0.68 4.08 -0.16 4.99 -4.36 0.26 -0.78 121.20 124.55 3buf s ILE 298 Ca 0.05 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 60.12 3buf s ILE 298 Cb -0.08 -2.71 0.01 0.00 1.25 0.00 0.00 42.46 40.94 3buf s ILE 298 CO 0.01 0.59 -0.20 -0.89 0.24 0.00 0.00 174.94 174.69 3buf s THR 299 N -0.71 2.16 0.08 8.37 2.01 0.57 -0.89 115.64 127.22 3buf s THR 299 Ca 0.11 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3buf s THR 299 Cb -0.11 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3buf s THR 299 CO 0.02 0.54 -0.01 0.27 -0.69 0.00 0.00 174.62 174.75 3buf s ILE 300 N 1.04 3.96 0.35 1.82 -4.36 -0.08 -2.65 121.20 121.29 3buf s ILE 300 Ca -0.01 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.44 3buf s ILE 300 Cb -0.14 -2.86 -0.02 0.00 1.25 0.00 0.00 42.46 40.68 3buf s ILE 300 CO -0.07 0.17 0.55 -0.76 0.24 0.00 0.00 174.94 175.07 3buf s LEU 301 N -2.16 3.97 0.61 0.37 1.43 -1.26 -1.99 118.68 119.65 3buf s LEU 301 Ca 0.24 0.33 0.32 0.00 -1.03 0.00 0.00 54.13 53.99 3buf s LEU 301 Cb -0.12 -3.19 1.90 0.00 0.03 0.00 0.00 46.19 44.81 3buf s LEU 301 CO 0.16 -0.36 2.24 1.55 0.23 0.00 0.00 176.35 180.17 3buf h PRO 302 N 0.74 0.00 -0.27 1.29 0.13 -1.88 -0.19 132.00 131.82 3buf h PRO 302 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 3buf h PRO 302 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3buf h PRO 302 CO 0.60 0.00 0.24 1.96 -0.23 0.00 0.00 178.00 180.57 3buf h GLN 303 N 0.00 0.00 0.04 0.86 7.50 -1.94 -1.02 115.11 120.56 3buf h GLN 303 Ca 0.02 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.01 3buf h GLN 303 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3buf h GLN 303 CO -0.00 0.00 -0.84 1.96 -1.50 0.00 0.00 178.83 178.45 3buf h GLN 304 N 0.00 0.09 -0.09 1.46 7.50 -1.35 -3.38 115.11 119.34 3buf h GLN 304 Ca 0.13 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3buf h GLN 304 Cb 0.60 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.19 3buf h GLN 304 CO -0.00 1.07 0.00 2.48 -1.50 0.00 0.00 178.83 180.88 3buf n TYR 305 N -4.33 0.10 -3.77 2.96 0.18 -1.15 -4.42 117.16 106.72 3buf n TYR 305 Ca -0.21 -0.05 -0.35 0.00 1.88 0.00 0.00 57.90 59.17 3buf n TYR 305 Cb 0.68 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.54 3buf n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3buf s LEU 306 N -1.82 5.07 -0.26 -3.48 1.43 -0.40 0.01 118.68 119.23 3buf s LEU 306 Ca 0.35 -2.76 -0.17 0.00 -1.03 0.00 0.00 54.13 50.52 3buf s LEU 306 Cb 0.20 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3buf s LEU 306 CO 0.31 -0.37 0.46 -0.60 0.23 0.00 0.00 176.35 176.38 3buf s ARG 307 N 0.07 4.05 0.34 1.70 3.52 -1.14 -4.80 118.95 122.68 3buf s ARG 307 Ca 0.16 0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 3buf s ARG 307 Cb -0.21 -3.65 -0.11 0.00 -1.56 0.00 0.00 34.95 29.42 3buf s ARG 307 CO -0.03 -0.32 1.41 -2.14 -0.81 0.00 0.00 175.30 173.41 3buf s PRO 308 N 2.21 4.23 -0.12 5.12 0.02 -1.26 -0.73 135.00 144.47 3buf s PRO 308 Ca 0.19 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.67 3buf s PRO 308 Cb -0.16 -3.03 -0.12 0.00 0.02 0.00 0.00 34.50 31.21 3buf s PRO 308 CO 0.09 -0.38 -0.02 0.28 -0.33 0.00 0.00 177.00 176.65 3buf n VAL 309 N 0.90 0.78 -2.51 3.83 0.31 -1.26 -4.88 118.33 115.49 3buf n VAL 309 Ca 0.02 -0.41 -0.40 0.00 -0.01 0.00 0.00 64.34 63.53 3buf n VAL 309 Cb 0.40 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.49 3buf n VAL 309 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3buf s ASP 318 N -4.72 6.31 -0.18 4.52 -0.00 -0.76 -4.89 116.67 116.95 3buf s ASP 318 Ca -0.10 -1.14 -0.08 0.00 -0.00 0.00 0.00 52.55 51.22 3buf s ASP 318 Cb 0.04 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 3buf s ASP 318 CO 0.41 -1.68 0.09 0.00 -0.00 0.00 0.00 175.17 173.99 3buf s TYR 320 N 0.27 2.25 -0.23 0.00 1.51 -0.60 -4.44 117.35 116.11 3buf s TYR 320 Ca 0.06 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3buf s TYR 320 Cb -0.12 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 3buf s TYR 320 CO -0.00 0.10 0.02 0.21 -1.11 0.00 0.00 175.55 174.77 3buf s LYS 321 N -1.15 3.54 -0.32 -0.62 2.20 0.09 -2.65 119.74 120.83 3buf s LYS 321 Ca 0.11 -0.54 -0.35 0.00 -0.36 0.00 0.00 55.97 54.83 3buf s LYS 321 Cb -0.10 -3.18 -0.12 0.00 -1.51 0.00 0.00 37.83 32.92 3buf s LYS 321 CO 0.02 -0.18 2.13 0.34 -0.36 0.00 0.00 175.35 177.30 3buf n PHE 322 N 4.83 1.70 -0.03 4.03 7.35 -1.26 -2.89 117.46 131.19 3buf n PHE 322 Ca -0.17 0.27 -0.03 0.00 -0.76 0.00 0.00 57.45 56.76 3buf n PHE 322 Cb 0.51 -2.54 0.16 0.00 0.35 0.00 0.00 39.48 37.96 3buf n PHE 322 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3buf n ALA 323 N 9.25 3.57 -2.43 3.13 0.00 0.10 -4.73 120.51 129.40 3buf n ALA 323 Ca 0.38 -1.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 3buf n ALA 323 Cb 0.23 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 3buf n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3buf s ILE 324 N -1.81 2.45 0.07 0.00 1.01 -1.26 -1.32 121.20 120.35 3buf s ILE 324 Ca 0.28 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3buf s ILE 324 Cb 0.23 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3buf s ILE 324 CO 0.07 0.58 0.31 -0.94 0.00 0.00 0.00 174.94 174.96 3buf s SER 325 N -0.59 -0.11 0.78 3.58 1.04 -0.74 -4.85 113.70 112.82 3buf s SER 325 Ca 0.09 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 3buf s SER 325 Cb -0.11 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.46 3buf s SER 325 CO 0.00 -0.70 1.09 0.00 0.98 0.00 0.00 173.24 174.61 3buf s GLN 326 N -3.13 2.19 -0.05 4.02 -2.07 -1.26 -0.89 119.66 118.48 3buf s GLN 326 Ca -0.01 0.71 -0.20 0.00 -1.82 0.00 0.00 55.36 54.04 3buf s GLN 326 Cb 0.01 -1.92 0.04 0.00 -1.09 0.00 0.00 33.01 30.05 3buf s GLN 326 CO -0.07 -1.56 0.45 0.45 -1.32 0.00 0.00 175.29 173.23 3buf s SER 327 N -3.85 -0.38 0.00 12.60 0.15 -0.72 -4.69 113.70 116.82 3buf s SER 327 Ca 0.60 0.39 0.10 0.00 0.70 0.00 0.00 55.95 57.74 3buf s SER 327 Cb -0.15 0.46 0.17 0.00 -1.71 0.00 0.00 66.02 64.79 3buf s SER 327 CO 0.55 -0.47 1.00 -1.54 1.20 0.00 0.00 173.24 173.98 3buf n SER 328 N 1.34 2.28 -0.48 5.45 3.41 -1.26 -2.93 113.62 121.43 3buf n SER 328 Ca -0.20 -1.68 0.06 0.00 -0.26 0.00 0.00 58.87 56.79 3buf n SER 328 Cb 0.56 -0.09 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 3buf n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3buf n THR 329 N 0.50 1.48 -0.93 6.66 -2.24 -1.26 -5.01 114.28 113.47 3buf n THR 329 Ca 0.08 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 3buf n THR 329 Cb 0.32 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 3buf n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3buf n GLY 330 N -0.28 -1.78 3.73 3.38 0.00 -1.25 -4.40 105.19 104.59 3buf n GLY 330 Ca 0.12 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 3buf n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3buf s THR 331 N 0.00 4.35 -0.19 2.61 2.01 0.83 -4.21 115.64 121.04 3buf s THR 331 Ca 0.00 1.89 0.01 0.00 0.31 0.00 0.00 61.69 63.91 3buf s THR 331 Cb 0.00 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.33 3buf s THR 331 CO 0.00 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.35 3buf s VAL 332 N 0.21 1.90 -1.05 3.82 1.01 0.74 -1.10 120.40 125.92 3buf s VAL 332 Ca 0.50 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 3buf s VAL 332 Cb -0.25 -1.84 0.16 0.00 0.00 0.00 0.00 36.38 34.45 3buf s VAL 332 CO 0.31 0.34 1.24 -0.04 0.00 0.00 0.00 175.10 176.94 3buf s MET 333 N 1.31 3.84 0.00 2.72 -1.94 0.32 -0.97 119.30 124.57 3buf s MET 333 Ca 0.01 -2.21 0.00 0.00 -1.71 0.00 0.00 55.69 51.78 3buf s MET 333 Cb -0.15 -4.94 0.00 0.00 2.01 0.00 0.00 34.83 31.75 3buf s MET 333 CO -0.10 -1.72 0.00 0.41 -0.01 0.00 0.00 175.02 173.60 3buf n GLY 334 N 4.70 -0.18 0.39 -0.03 0.00 -1.09 -2.21 105.19 106.77 3buf n GLY 334 Ca 0.29 -1.76 0.17 0.00 0.00 0.00 0.00 46.02 44.73 3buf n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3buf h ALA 335 N -1.59 2.11 -0.27 4.61 0.00 -0.48 -0.94 119.26 122.69 3buf h ALA 335 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3buf h ALA 335 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3buf h ALA 335 CO 0.00 -0.39 -0.28 0.28 0.00 0.00 0.00 179.25 178.86 3buf h VAL 336 N 0.47 0.32 0.23 0.00 2.07 -1.41 0.14 116.25 118.08 3buf h VAL 336 Ca 0.47 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.98 3buf h VAL 336 Cb 1.07 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3buf h VAL 336 CO -0.19 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.68 3buf h ILE 337 N -0.27 0.83 -0.23 4.57 1.08 -1.52 -3.34 117.51 118.63 3buf h ILE 337 Ca 0.14 -0.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3buf h ILE 337 Cb 0.50 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 3buf h ILE 337 CO -0.43 0.14 0.15 0.24 -0.69 0.00 0.00 178.15 177.57 3buf h MET 338 N -0.68 0.27 0.00 2.37 2.86 -0.90 -2.34 114.93 116.51 3buf h MET 338 Ca -0.03 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3buf h MET 338 Cb 0.47 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 3buf h MET 338 CO 0.05 0.18 -0.01 0.93 1.06 0.00 0.00 176.91 179.12 3buf h GLU 339 N 0.28 0.00 -0.00 1.72 5.08 -0.85 -1.02 114.58 119.78 3buf h GLU 339 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3buf h GLU 339 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3buf h GLU 339 CO -0.02 0.01 -0.13 0.41 -1.00 0.00 0.00 179.01 178.28 3buf n GLY 340 N -0.73 -1.15 3.04 -3.84 0.00 -0.88 -4.49 105.19 97.14 3buf n GLY 340 Ca -0.02 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3buf n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3buf s PHE 341 N -2.68 0.45 -0.14 1.61 0.40 -0.39 -2.60 117.98 114.64 3buf s PHE 341 Ca 0.23 -0.71 -0.22 0.00 -0.60 0.00 0.00 56.93 55.62 3buf s PHE 341 Cb 0.19 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.39 3buf s PHE 341 CO 0.52 -0.23 0.67 -0.47 0.70 0.00 0.00 175.22 176.41 3buf s TYR 342 N -2.35 3.47 -0.14 0.36 5.04 0.76 -4.43 117.35 120.06 3buf s TYR 342 Ca -0.06 1.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.68 3buf s TYR 342 Cb -0.03 -2.81 0.01 0.00 0.35 0.00 0.00 41.96 39.48 3buf s TYR 342 CO -0.04 -0.05 -0.21 0.08 -1.34 0.00 0.00 175.55 173.99 3buf s VAL 343 N 1.41 2.01 -0.25 3.14 1.01 -0.54 -1.76 120.40 125.42 3buf s VAL 343 Ca 0.33 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3buf s VAL 343 Cb -0.16 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3buf s VAL 343 CO 0.13 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 175.10 3buf s VAL 344 N 0.88 3.71 -1.08 2.92 1.01 0.19 -0.26 120.40 127.77 3buf s VAL 344 Ca -0.06 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3buf s VAL 344 Cb -0.15 -2.78 0.21 0.00 0.00 0.00 0.00 36.38 33.66 3buf s VAL 344 CO -0.03 0.30 1.19 -0.36 0.00 0.00 0.00 175.10 176.20 3buf s PHE 345 N 1.50 3.75 -1.24 5.22 0.08 0.13 -0.61 117.98 126.81 3buf s PHE 345 Ca 0.05 -2.20 -0.16 0.00 0.12 0.00 0.00 56.93 54.74 3buf s PHE 345 Cb -0.15 -4.08 0.12 0.00 -0.57 0.00 0.00 43.02 38.34 3buf s PHE 345 CO -0.00 -1.20 1.57 0.34 -0.10 0.00 0.00 175.22 175.82 3buf s ASP 346 N 2.34 6.95 0.24 1.36 -1.08 -0.30 -2.43 116.67 123.77 3buf s ASP 346 Ca 0.34 -2.71 -0.03 0.00 -0.52 0.00 0.00 52.55 49.62 3buf s ASP 346 Cb -0.07 -2.48 0.28 0.00 -1.46 0.00 0.00 42.92 39.20 3buf s ASP 346 CO -0.05 -0.95 1.73 0.03 0.52 0.00 0.00 175.17 176.45 3buf h ARG 347 N 7.41 0.83 -0.97 4.34 3.08 -1.72 -1.64 114.38 125.70 3buf h ARG 347 Ca 0.37 -0.24 0.10 0.00 0.07 0.00 0.00 59.98 60.28 3buf h ARG 347 Cb 0.88 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.76 3buf h ARG 347 CO 1.34 0.84 0.62 0.00 -1.07 0.00 0.00 179.97 181.71 3buf h ALA 348 N 1.21 1.52 -0.44 0.04 0.00 -1.54 -2.77 119.26 117.27 3buf h ALA 348 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3buf h ALA 348 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3buf h ALA 348 CO 0.02 0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.10 3buf n ARG 349 N -4.55 3.10 -3.73 0.00 1.74 -1.09 -4.98 116.66 107.14 3buf n ARG 349 Ca 0.17 -2.50 -0.22 0.00 -0.77 0.00 0.00 57.85 54.53 3buf n ARG 349 Cb 0.29 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3buf n ARG 349 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3buf n LYS 350 N 0.56 -4.67 -3.76 5.56 5.02 -0.70 -4.91 118.16 115.27 3buf n LYS 350 Ca 0.19 0.59 -0.11 0.00 -2.02 0.00 0.00 58.31 56.96 3buf n LYS 350 Cb 0.67 -5.09 -0.07 0.00 -0.02 0.00 0.00 35.03 30.52 3buf n LYS 350 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3buf s ARG 351 N -6.04 0.87 -0.12 1.97 1.70 -0.73 -0.60 118.95 115.98 3buf s ARG 351 Ca 0.00 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 54.62 3buf s ARG 351 Cb -0.00 0.37 -0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3buf s ARG 351 CO 0.82 -0.29 -0.20 0.42 -1.08 0.00 0.00 175.30 174.97 3buf s ILE 352 N -3.14 2.31 -0.06 4.99 1.01 0.40 -1.14 121.20 125.56 3buf s ILE 352 Ca -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 3buf s ILE 352 Cb 0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3buf s ILE 352 CO -0.07 0.54 0.16 -0.83 0.00 0.00 0.00 174.94 174.75 3buf s GLY 353 N 0.54 2.17 -0.07 6.18 0.00 0.22 -0.94 107.32 115.42 3buf s GLY 353 Ca -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 43.91 3buf s GLY 353 CO 0.04 -0.53 -0.15 -1.36 0.00 0.00 0.00 173.10 171.11 3buf s PHE 354 N -1.19 1.70 0.04 1.90 0.40 0.73 -0.64 117.98 120.93 3buf s PHE 354 Ca 0.22 -0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3buf s PHE 354 Cb -0.12 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 3buf s PHE 354 CO 0.12 -0.30 -0.00 0.00 0.70 0.00 0.00 175.22 175.73 3buf s ALA 355 N 0.58 0.31 0.13 5.36 0.00 -0.72 -0.94 121.76 126.48 3buf s ALA 355 Ca -0.15 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.54 3buf s ALA 355 Cb -0.16 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 3buf s ALA 355 CO 0.05 -0.33 1.67 0.08 0.00 0.00 0.00 175.76 177.24 3buf s VAL 356 N -3.22 2.66 0.31 0.00 1.01 -1.24 -0.17 120.40 119.75 3buf s VAL 356 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 3buf s VAL 356 Cb 0.03 -3.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 3buf s VAL 356 CO -0.07 0.01 1.24 -0.55 0.00 0.00 0.00 175.10 175.73 3buf s SER 357 N 1.92 6.94 0.00 3.32 0.15 -1.07 -1.70 113.70 123.26 3buf s SER 357 Ca 0.74 2.55 0.03 0.00 0.70 0.00 0.00 55.95 59.97 3buf s SER 357 Cb -0.44 -2.64 0.17 0.00 -1.71 0.00 0.00 66.02 61.40 3buf s SER 357 CO 0.33 -0.41 1.01 0.00 1.20 0.00 0.00 173.24 175.37 3buf n ALA 358 N 0.94 2.41 -0.82 5.45 0.00 -0.64 -3.55 120.51 124.30 3buf n ALA 358 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.43 3buf n ALA 358 Cb 0.43 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3buf n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3buf n HIS 360 N -0.27 0.00 0.00 0.00 -0.00 -1.23 -4.75 115.22 108.96 3buf n HIS 360 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 3buf n HIS 360 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 3buf n HIS 360 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3buf n ARG 366 N 0.00 0.00 -4.23 -1.40 1.74 -1.26 -5.06 116.66 106.45 3buf n ARG 366 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 3buf n ARG 366 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3buf n ARG 366 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3buf s THR 367 N 0.00 1.24 0.55 0.55 -4.23 -1.26 -5.09 115.64 107.40 3buf s THR 367 Ca 0.00 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 58.59 3buf s THR 367 Cb 0.00 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 3buf s THR 367 CO 0.00 -0.45 1.35 0.00 -0.54 0.00 0.00 174.62 174.98 3buf n ALA 368 N 0.54 1.54 -3.14 3.99 0.00 -1.26 -4.97 120.51 117.21 3buf n ALA 368 Ca -0.16 0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3buf n ALA 368 Cb 0.57 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 3buf n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3buf s ALA 369 N -1.30 -0.51 -0.14 0.00 0.00 -1.08 -4.93 121.76 113.81 3buf s ALA 369 Ca 0.72 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 3buf s ALA 369 Cb -0.41 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3buf s ALA 369 CO 0.48 -0.19 -0.11 0.08 0.00 0.00 0.00 175.76 176.03 3buf s VAL 370 N -0.88 1.33 0.01 0.00 1.01 -1.26 -0.32 120.40 120.30 3buf s VAL 370 Ca -0.10 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3buf s VAL 370 Cb -0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3buf s VAL 370 CO 0.02 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 173.84 3buf s GLU 371 N 1.58 0.44 0.08 2.72 2.02 0.04 -4.93 118.70 120.65 3buf s GLU 371 Ca 0.05 -0.36 -0.22 0.00 0.02 0.00 0.00 54.97 54.45 3buf s GLU 371 Cb -0.13 -0.35 0.07 0.00 0.10 0.00 0.00 34.13 33.83 3buf s GLU 371 CO -0.09 0.09 1.01 0.41 0.02 0.00 0.00 175.26 176.69 3buf n GLY 372 N 2.47 0.49 3.88 -1.39 0.00 -1.26 -0.25 105.19 109.13 3buf n GLY 372 Ca -0.16 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 3buf n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3buf s PRO 373 N -2.03 3.71 0.17 1.61 0.04 -1.26 -5.09 135.00 132.15 3buf s PRO 373 Ca 0.23 0.41 0.10 0.00 0.04 0.00 0.00 61.00 61.78 3buf s PRO 373 Cb -0.02 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3buf s PRO 373 CO 0.02 -0.09 -0.21 -0.06 0.04 0.00 0.00 177.00 176.70 3buf s PHE 374 N -2.49 2.41 -0.33 0.56 0.40 0.08 -4.97 117.98 113.64 3buf s PHE 374 Ca 0.50 -0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.31 3buf s PHE 374 Cb -0.10 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.20 3buf s PHE 374 CO 0.35 0.45 0.62 0.08 0.70 0.00 0.00 175.22 177.43 3buf s VAL 375 N -1.48 4.92 -0.10 -0.44 1.01 -1.26 -0.62 120.40 122.43 3buf s VAL 375 Ca 0.20 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.87 3buf s VAL 375 Cb -0.09 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3buf s VAL 375 CO 0.10 -0.23 -0.07 -0.89 0.00 0.00 0.00 175.10 174.01 3buf s THR 376 N 2.64 0.94 0.26 3.92 2.01 -0.24 -4.93 115.64 120.24 3buf s THR 376 Ca 0.24 -0.26 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 3buf s THR 376 Cb -0.15 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 3buf s THR 376 CO 0.13 0.35 0.55 -0.76 -0.69 0.00 0.00 174.62 174.20 3buf s LEU 377 N 1.56 4.11 -1.24 4.42 1.43 -1.26 -4.21 118.68 123.48 3buf s LEU 377 Ca 0.02 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 3buf s LEU 377 Cb -0.13 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3buf s LEU 377 CO -0.06 -0.14 0.16 0.47 0.23 0.00 0.00 176.35 177.02 3buf n ASP 378 N -0.55 -4.71 0.25 2.29 10.43 -1.26 -4.91 116.55 118.10 3buf n ASP 378 Ca -0.01 -0.09 0.08 0.00 2.57 0.00 0.00 54.79 57.34 3buf n ASP 378 Cb 0.53 -3.74 0.62 0.00 1.84 0.00 0.00 41.12 40.37 3buf n ASP 378 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 3buf h MET 379 N -0.37 0.00 -0.38 -1.24 2.86 -1.98 -2.31 114.93 111.51 3buf h MET 379 Ca -0.37 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 3buf h MET 379 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 3buf h MET 379 CO 0.42 0.06 -0.09 0.93 1.06 0.00 0.00 176.91 179.30 3buf h GLU 380 N 0.00 0.65 0.00 1.72 4.39 -1.96 -2.39 114.58 116.99 3buf h GLU 380 Ca -0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3buf h GLU 380 Cb 0.12 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3buf h GLU 380 CO 0.01 0.73 0.00 -0.44 -1.16 0.00 0.00 179.01 178.15 3buf h ASP 381 N 0.60 0.00 1.58 1.42 3.45 -1.81 -2.58 116.42 119.08 3buf h ASP 381 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3buf h ASP 381 Cb 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3buf h ASP 381 CO 0.03 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.70 3buf s GLY 383 N -4.09 2.84 -0.02 0.00 0.00 -0.97 -3.85 107.32 101.23 3buf s GLY 383 Ca 0.06 0.58 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 3buf s GLY 383 CO 0.61 1.74 0.74 -0.47 0.00 0.00 0.00 173.10 175.71 3buf s TYR 384 N 1.01 3.65 0.03 1.90 5.04 -1.26 -4.99 117.35 122.72 3buf s TYR 384 Ca 0.53 1.36 0.02 0.00 -2.44 0.00 0.00 57.07 56.54 3buf s TYR 384 Cb -0.22 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.23 3buf s TYR 384 CO 0.28 0.17 0.02 -0.80 -1.34 0.00 0.00 175.55 173.88 3buf s ASN 385 N 0.44 5.21 0.00 4.32 0.01 -1.26 -4.91 114.94 118.74 3buf s ASN 385 Ca 0.38 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 3buf s ASN 385 Cb -0.19 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.11 3buf s ASN 385 CO 0.21 0.24 0.45 -0.38 -1.51 0.00 0.00 177.10 176.11