#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vaq s ILE 30 N 0.00 3.28 -0.14 0.52 2.07 -1.26 -5.13 121.20 120.54 2vaq s ILE 30 Ca 0.00 -0.68 0.01 0.00 -1.41 0.00 0.00 60.65 58.57 2vaq s ILE 30 Cb 0.00 -2.32 0.02 0.00 0.13 0.00 0.00 42.46 40.29 2vaq s ILE 30 CO 0.00 0.57 -0.16 -0.76 -1.91 0.00 0.00 174.94 172.67 2vaq s LEU 31 N -0.85 1.82 0.14 8.50 1.43 -1.26 -4.17 118.68 124.29 2vaq s LEU 31 Ca 0.12 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 2vaq s LEU 31 Cb -0.11 -1.24 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 2vaq s LEU 31 CO 0.02 -0.01 0.61 -0.75 0.23 0.00 0.00 176.35 176.44 2vaq s LYS 32 N 1.25 4.15 -0.06 1.70 2.20 -0.69 -4.97 119.74 123.32 2vaq s LYS 32 Ca 0.01 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 2vaq s LYS 32 Cb -0.14 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2vaq s LYS 32 CO -0.08 0.52 -0.08 -2.00 -0.36 0.00 0.00 175.35 173.35 2vaq s GLU 33 N -1.63 1.32 -0.11 4.03 2.12 -1.26 -1.56 118.70 121.60 2vaq s GLU 33 Ca 0.36 -0.26 -0.04 0.00 0.36 0.00 0.00 54.97 55.39 2vaq s GLU 33 Cb -0.17 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.99 2vaq s GLU 33 CO 0.20 -0.05 0.03 0.42 -0.54 0.00 0.00 175.26 175.32 2vaq s ILE 34 N 0.90 4.57 -0.21 -3.70 1.01 0.24 -4.99 121.20 119.03 2vaq s ILE 34 Ca -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 2vaq s ILE 34 Cb -0.15 -2.96 0.06 0.00 0.01 0.00 0.00 42.46 39.42 2vaq s ILE 34 CO 0.01 0.58 0.03 -0.76 0.00 0.00 0.00 174.94 174.80 2vaq s LEU 35 N -0.68 1.47 -0.31 2.97 1.43 -1.26 -1.23 118.68 121.08 2vaq s LEU 35 Ca 0.11 -0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2vaq s LEU 35 Cb -0.12 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.42 2vaq s LEU 35 CO 0.02 -0.30 0.08 -0.63 0.23 0.00 0.00 176.35 175.75 2vaq s ILE 36 N 1.77 3.84 0.19 -0.59 1.01 0.49 -4.97 121.20 122.94 2vaq s ILE 36 Ca -0.01 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2vaq s ILE 36 Cb -0.17 -3.05 -0.08 0.00 0.01 0.00 0.00 42.46 39.17 2vaq s ILE 36 CO -0.09 -0.01 1.07 -1.83 0.00 0.00 0.00 174.94 174.09 2vaq s GLU 37 N 1.45 4.63 0.34 2.79 -1.05 -1.26 0.01 118.70 125.61 2vaq s GLU 37 Ca 0.01 1.69 0.09 0.00 -0.15 0.00 0.00 54.97 56.61 2vaq s GLU 37 Cb -0.18 -3.28 -0.05 0.00 -0.44 0.00 0.00 34.13 30.18 2vaq s GLU 37 CO 0.02 0.14 -0.01 0.00 0.95 0.00 0.00 175.26 176.36 2vaq s ALA 38 N -0.39 3.15 1.03 -0.84 0.00 -0.64 -4.88 121.76 119.19 2vaq s ALA 38 Ca 0.48 -1.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2vaq s ALA 38 Cb -0.29 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.57 2vaq s ALA 38 CO 0.35 0.08 0.34 -0.35 0.00 0.00 0.00 175.76 176.18 2vaq n PRO 39 N -0.92 -0.93 0.00 0.00 -0.04 -1.26 -4.77 135.00 127.08 2vaq n PRO 39 Ca -0.04 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2vaq n PRO 39 Cb 0.62 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 2vaq n PRO 39 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2vaq n SER 40 N -3.37 0.00 -3.45 3.54 2.88 -1.26 -4.82 113.62 107.14 2vaq n SER 40 Ca 0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.48 2vaq n SER 40 Cb 0.16 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2vaq n SER 40 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2vaq s TYR 41 N 0.00 -0.47 -0.94 0.66 5.04 -1.26 -4.90 117.35 115.48 2vaq s TYR 41 Ca 0.00 0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.83 2vaq s TYR 41 Cb 0.00 0.55 -0.01 0.00 0.35 0.00 0.00 41.96 42.85 2vaq s TYR 41 CO 0.00 -0.73 0.73 0.00 -1.34 0.00 0.00 175.55 174.21 2vaq n ALA 42 N -0.31 -2.59 -2.14 3.97 0.00 0.38 -0.36 120.51 119.45 2vaq n ALA 42 Ca -0.14 -0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 2vaq n ALA 42 Cb 0.64 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 2vaq n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vaq s PRO 43 N -4.75 2.85 0.00 0.00 0.04 -1.26 -4.11 135.00 127.77 2vaq s PRO 43 Ca 0.23 0.57 0.10 0.00 0.04 0.00 0.00 61.00 61.94 2vaq s PRO 43 Cb -0.07 -4.31 0.11 0.00 0.04 0.00 0.00 34.50 30.27 2vaq s PRO 43 CO 0.83 -2.48 0.89 0.27 0.04 0.00 0.00 177.00 176.55 2vaq n ASN 44 N 11.72 2.03 -3.78 6.66 6.94 -0.76 -3.07 115.26 135.00 2vaq n ASN 44 Ca 0.18 -1.52 -0.09 0.00 -0.02 0.00 0.00 54.58 53.12 2vaq n ASN 44 Cb 0.51 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.86 2vaq n ASN 44 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2vaq s SER 45 N -0.89 0.01 -0.10 0.53 1.04 -1.26 -4.54 113.70 108.49 2vaq s SER 45 Ca 0.14 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 55.42 2vaq s SER 45 Cb 0.09 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.90 2vaq s SER 45 CO 0.13 -1.25 0.47 -0.36 0.98 0.00 0.00 173.24 173.21 2vaq s PHE 46 N -3.71 -0.45 0.33 5.02 0.08 -1.26 -3.01 117.98 114.98 2vaq s PHE 46 Ca 0.21 0.94 -0.04 0.00 0.12 0.00 0.00 56.93 58.15 2vaq s PHE 46 Cb -0.02 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.63 2vaq s PHE 46 CO 0.10 -0.37 0.48 -0.08 -0.10 0.00 0.00 175.22 175.25 2vaq s THR 47 N -0.53 0.00 0.01 0.64 -1.32 -0.71 -4.79 115.64 108.95 2vaq s THR 47 Ca -0.06 -1.56 0.01 0.00 -1.21 0.00 0.00 61.69 58.87 2vaq s THR 47 Cb -0.03 -2.60 -0.01 0.00 -1.51 0.00 0.00 72.50 68.35 2vaq s THR 47 CO 0.04 0.00 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.04 2vaq s PHE 48 N -3.17 0.39 0.72 9.09 0.08 -1.26 -0.67 117.98 123.16 2vaq s PHE 48 Ca 0.29 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 2vaq s PHE 48 Cb -0.00 -0.25 0.10 0.00 -0.57 0.00 0.00 43.02 42.30 2vaq s PHE 48 CO 0.18 -0.03 1.00 0.16 -0.10 0.00 0.00 175.22 176.43 2vaq s ASP 49 N -0.44 4.50 0.49 1.36 1.47 -1.26 -4.64 116.67 118.14 2vaq s ASP 49 Ca -0.02 0.02 0.28 0.00 1.18 0.00 0.00 52.55 54.02 2vaq s ASP 49 Cb -0.04 -0.53 1.16 0.00 -0.34 0.00 0.00 42.92 43.17 2vaq s ASP 49 CO -0.00 -1.76 1.92 0.77 0.68 0.00 0.00 175.17 176.77 2vaq h SER 50 N -0.58 0.00 -0.17 2.11 4.64 -1.95 -2.04 113.55 115.56 2vaq h SER 50 Ca -0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2vaq h SER 50 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2vaq h SER 50 CO 0.48 0.13 0.03 0.74 -0.87 0.00 0.00 176.83 177.34 2vaq h THR 51 N 0.00 1.15 -5.99 2.95 2.02 -1.98 -3.47 112.91 107.59 2vaq h THR 51 Ca -0.00 -0.56 -0.40 0.00 0.77 0.00 0.00 66.41 66.21 2vaq h THR 51 Cb 0.61 0.92 0.08 0.00 -1.74 0.00 0.00 68.15 68.02 2vaq h THR 51 CO 0.02 0.19 -0.79 -3.20 0.37 0.00 0.00 175.52 172.11 2vaq n ASN 52 N -4.35 -2.47 -3.92 4.18 2.85 -0.77 -5.00 115.26 105.79 2vaq n ASN 52 Ca 0.01 -0.74 -0.30 0.00 -0.11 0.00 0.00 54.58 53.44 2vaq n ASN 52 Cb 0.19 -4.40 -0.16 0.00 1.24 0.00 0.00 39.78 36.66 2vaq n ASN 52 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2vaq s LYS 53 N -5.96 1.51 2.98 1.20 2.47 -1.26 -5.06 119.74 115.63 2vaq s LYS 53 Ca 0.16 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.66 2vaq s LYS 53 Cb -0.08 -2.52 0.00 0.00 -1.46 0.00 0.00 37.83 33.77 2vaq s LYS 53 CO 0.79 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 176.11 2vaq n GLY 54 N 4.72 0.19 3.84 5.54 0.00 -1.26 -4.83 105.19 113.39 2vaq n GLY 54 Ca -0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 2vaq n GLY 54 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vaq s PHE 55 N 0.00 -0.18 -0.03 1.61 -0.12 -0.97 -4.80 117.98 113.50 2vaq s PHE 55 Ca 0.00 -0.27 0.04 0.00 -0.05 0.00 0.00 56.93 56.65 2vaq s PHE 55 Cb 0.00 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 43.06 2vaq s PHE 55 CO 0.00 -1.19 -0.13 0.71 -0.05 0.00 0.00 175.22 174.57 2vaq s TYR 56 N -3.80 2.74 0.05 3.49 2.02 0.15 -0.48 117.35 121.51 2vaq s TYR 56 Ca 0.11 -0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.64 2vaq s TYR 56 Cb -0.05 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 2vaq s TYR 56 CO 0.06 0.25 0.05 -0.08 -1.57 0.00 0.00 175.55 174.26 2vaq s THR 57 N -0.82 0.17 -0.08 -0.71 -1.32 -0.45 -1.73 115.64 110.69 2vaq s THR 57 Ca 0.13 -1.40 -0.00 0.00 -1.21 0.00 0.00 61.69 59.21 2vaq s THR 57 Cb -0.11 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.67 2vaq s THR 57 CO 0.03 -0.77 -0.05 -0.94 -2.21 0.00 0.00 174.62 170.67 2vaq s SER 58 N -2.53 4.75 0.34 8.08 1.04 -1.16 -0.92 113.70 123.30 2vaq s SER 58 Ca 0.01 -0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.47 2vaq s SER 58 Cb 0.03 -1.29 -0.06 0.00 0.10 0.00 0.00 66.02 64.80 2vaq s SER 58 CO -0.08 0.34 0.06 0.68 0.98 0.00 0.00 173.24 175.23 2vaq s VAL 59 N -0.68 1.16 0.24 5.02 -7.23 -0.87 -1.83 120.40 116.20 2vaq s VAL 59 Ca 0.10 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.22 2vaq s VAL 59 Cb -0.11 -2.74 0.22 0.00 0.56 0.00 0.00 36.38 34.30 2vaq s VAL 59 CO 0.02 0.00 1.70 -0.61 -0.31 0.00 0.00 175.10 175.89 2vaq h GLN 60 N 2.04 0.29 0.00 4.82 5.75 -0.85 -1.13 115.11 126.03 2vaq h GLN 60 Ca -0.40 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2vaq h GLN 60 Cb 1.25 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2vaq h GLN 60 CO 0.69 0.19 0.00 -0.40 -2.65 0.00 0.00 178.83 176.66 2vaq n ASP 61 N -5.12 0.00 0.00 -0.69 5.68 -1.26 -4.79 116.55 110.37 2vaq n ASP 61 Ca 0.13 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 2vaq n ASP 61 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2vaq n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vaq n GLY 62 N 0.57 1.54 3.77 6.12 0.00 -0.43 -4.74 105.19 112.03 2vaq n GLY 62 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2vaq n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vaq s ARG 63 N -0.64 3.24 -0.19 1.61 0.52 -1.26 -4.11 118.95 118.12 2vaq s ARG 63 Ca 0.00 1.54 -0.06 0.00 -0.52 0.00 0.00 55.73 56.69 2vaq s ARG 63 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 2vaq s ARG 63 CO 0.00 -0.93 0.02 0.08 0.02 0.00 0.00 175.30 174.50 2vaq s VAL 64 N -1.94 4.31 0.30 3.52 1.01 0.37 -2.06 120.40 125.92 2vaq s VAL 64 Ca 0.71 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.58 2vaq s VAL 64 Cb -0.23 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 2vaq s VAL 64 CO 0.30 0.45 -0.10 0.27 0.00 0.00 0.00 175.10 176.02 2vaq s ILE 65 N 0.67 2.01 -0.17 2.22 -4.36 -0.09 -0.73 121.20 120.75 2vaq s ILE 65 Ca 0.01 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.20 2vaq s ILE 65 Cb -0.14 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.11 2vaq s ILE 65 CO 0.02 -0.29 -0.18 -0.75 0.24 0.00 0.00 174.94 173.98 2vaq s LYS 66 N -3.64 2.73 -0.01 0.37 2.20 -0.44 -1.34 119.74 119.61 2vaq s LYS 66 Ca 0.30 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 2vaq s LYS 66 Cb 0.02 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.90 2vaq s LYS 66 CO 0.14 -0.22 1.23 -0.47 -0.36 0.00 0.00 175.35 175.67 2vaq s TYR 67 N 1.36 3.22 -0.62 4.03 5.04 0.37 -2.20 117.35 128.55 2vaq s TYR 67 Ca 0.05 1.19 0.24 0.00 -2.44 0.00 0.00 57.07 56.11 2vaq s TYR 67 Cb -0.13 -3.45 0.41 0.00 0.35 0.00 0.00 41.96 39.14 2vaq s TYR 67 CO -0.12 -1.46 1.40 0.93 -1.34 0.00 0.00 175.55 174.96 2vaq h GLU 68 N 7.30 0.00 0.00 4.97 4.39 -1.69 -2.58 114.58 126.97 2vaq h GLU 68 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2vaq h GLU 68 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2vaq h GLU 68 CO 0.86 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.12 2vaq n GLY 69 N 1.31 1.49 0.32 -3.84 0.00 -1.26 -4.60 105.19 98.62 2vaq n GLY 69 Ca 0.04 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 44.15 2vaq n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vaq h PRO 70 N 0.00 0.19 0.00 1.61 0.13 -1.99 0.64 132.00 132.59 2vaq h PRO 70 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2vaq h PRO 70 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2vaq h PRO 70 CO 0.00 0.12 0.00 0.27 -0.23 0.00 0.00 178.00 178.16 2vaq n ASN 71 N -5.22 0.00 -0.01 1.44 6.94 -1.26 -4.18 115.26 112.97 2vaq n ASN 71 Ca 0.25 0.89 0.00 0.00 -0.02 0.00 0.00 54.58 55.71 2vaq n ASN 71 Cb 0.81 -0.39 -0.12 0.00 -2.36 0.00 0.00 39.78 37.72 2vaq n ASN 71 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2vaq n SER 72 N -2.22 0.48 0.00 0.53 7.64 -0.52 -5.07 113.62 114.47 2vaq n SER 72 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2vaq n SER 72 Cb 0.00 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2vaq n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vaq n GLY 73 N 1.45 0.60 3.93 0.23 0.00 0.21 -4.88 105.19 106.73 2vaq n GLY 73 Ca -0.14 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 2vaq n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vaq s PHE 74 N 0.00 3.27 0.01 1.61 0.40 -1.26 -1.91 117.98 120.10 2vaq s PHE 74 Ca 0.00 0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 56.61 2vaq s PHE 74 Cb 0.00 -2.46 0.03 0.00 0.51 0.00 0.00 43.02 41.10 2vaq s PHE 74 CO 0.00 -0.51 0.35 0.14 0.70 0.00 0.00 175.22 175.90 2vaq s VAL 75 N -2.73 0.06 0.50 -0.44 -7.23 -0.93 -4.94 120.40 104.69 2vaq s VAL 75 Ca 0.50 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.93 2vaq s VAL 75 Cb -0.10 -0.78 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 2vaq s VAL 75 CO 0.41 -0.28 1.39 -1.81 -0.31 0.00 0.00 175.10 174.50 2vaq s ASP 76 N -1.63 5.58 0.10 4.85 1.11 -1.26 -1.32 116.67 124.09 2vaq s ASP 76 Ca -0.10 2.83 0.00 0.00 0.18 0.00 0.00 52.55 55.46 2vaq s ASP 76 Cb -0.03 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2vaq s ASP 76 CO 0.01 -1.37 0.00 0.33 1.18 0.00 0.00 175.17 175.33 2vaq n PHE 77 N -0.61 -0.50 -4.06 4.23 7.35 -0.74 -4.72 117.46 118.40 2vaq n PHE 77 Ca 0.08 0.09 -0.10 0.00 -0.76 0.00 0.00 57.45 56.76 2vaq n PHE 77 Cb 0.43 0.17 -0.08 0.00 0.35 0.00 0.00 39.48 40.35 2vaq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vaq s ALA 78 N -2.00 0.46 -0.06 3.13 0.00 0.10 -0.63 121.76 122.77 2vaq s ALA 78 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 2vaq s ALA 78 Cb 0.00 0.91 0.04 0.00 0.00 0.00 0.00 23.12 24.07 2vaq s ALA 78 CO 0.00 -0.58 0.12 0.71 0.00 0.00 0.00 175.76 176.01 2vaq s TYR 79 N -4.02 -0.11 0.11 0.00 1.51 -0.96 -0.47 117.35 113.40 2vaq s TYR 79 Ca 0.22 0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 56.52 2vaq s TYR 79 Cb 0.05 -0.18 -0.05 0.00 -0.11 0.00 0.00 41.96 41.68 2vaq s TYR 79 CO 0.02 -0.17 1.62 0.00 -1.11 0.00 0.00 175.55 175.90 2vaq h ALA 80 N 7.55 0.40 -2.30 3.71 0.00 -1.89 -1.11 119.26 125.63 2vaq h ALA 80 Ca -0.36 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.84 2vaq h ALA 80 Cb 1.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2vaq h ALA 80 CO 0.36 0.05 0.80 0.45 0.00 0.00 0.00 179.25 180.91 2vaq s SER 81 N -5.83 6.95 0.40 0.00 0.15 -1.26 -3.92 113.70 110.19 2vaq s SER 81 Ca -0.13 1.90 0.17 0.00 0.70 0.00 0.00 55.95 58.58 2vaq s SER 81 Cb 0.09 -2.55 0.92 0.00 -1.71 0.00 0.00 66.02 62.76 2vaq s SER 81 CO 0.74 -0.67 1.44 1.55 1.20 0.00 0.00 173.24 177.50 2vaq h PRO 82 N 7.81 0.00 -0.01 5.44 0.13 -1.89 -2.36 132.00 141.12 2vaq h PRO 82 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2vaq h PRO 82 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2vaq h PRO 82 CO 0.91 0.00 -0.26 0.66 -0.23 0.00 0.00 178.00 179.08 2vaq n TYR 83 N -2.24 0.00 -1.60 1.56 4.01 -1.26 -4.96 117.16 112.66 2vaq n TYR 83 Ca -0.01 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.23 2vaq n TYR 83 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.30 2vaq n TYR 83 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 2vaq n TRP 84 N -0.14 1.63 -3.72 -0.72 -0.00 -0.89 -4.92 117.44 108.68 2vaq n TRP 84 Ca 0.06 0.58 -0.14 0.00 -0.00 0.00 0.00 57.50 57.99 2vaq n TRP 84 Cb 0.28 -2.36 -0.09 0.00 -0.00 0.00 0.00 31.31 29.14 2vaq n TRP 84 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2vaq s ASN 85 N 0.47 -0.32 0.04 5.87 0.02 -1.26 -5.08 114.94 114.68 2vaq s ASN 85 Ca 0.81 0.36 -0.25 0.00 -1.02 0.00 0.00 52.86 52.76 2vaq s ASN 85 Cb -0.88 0.48 -0.17 0.00 0.02 0.00 0.00 41.25 40.69 2vaq s ASN 85 CO 0.46 -0.39 1.47 0.50 0.02 0.00 0.00 177.10 179.15 2vaq h LYS 86 N 4.15 -0.18 -0.32 -0.60 3.64 -1.96 0.25 116.57 121.55 2vaq h LYS 86 Ca -0.29 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 2vaq h LYS 86 Cb 1.17 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2vaq h LYS 86 CO 0.36 0.07 -0.06 0.00 -2.27 0.00 0.00 179.45 177.55 2vaq h ALA 87 N 0.41 1.31 0.06 5.00 0.00 -1.99 -2.38 119.26 121.68 2vaq h ALA 87 Ca -0.02 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 2vaq h ALA 87 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2vaq h ALA 87 CO 0.03 0.46 -1.92 0.34 0.00 0.00 0.00 179.25 178.16 2vaq n PHE 88 N -4.25 1.05 -0.13 0.00 7.35 -1.20 -4.71 117.46 115.58 2vaq n PHE 88 Ca 0.01 0.28 -0.21 0.00 -0.76 0.00 0.00 57.45 56.77 2vaq n PHE 88 Cb 0.28 -1.16 -0.11 0.00 0.35 0.00 0.00 39.48 38.84 2vaq n PHE 88 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vaq n GLU 90 N -3.54 1.55 -1.26 0.00 2.13 -0.90 -1.61 120.64 117.01 2vaq n GLU 90 Ca -0.47 0.56 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 2vaq n GLU 90 Cb 0.94 -2.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.33 2vaq n GLU 90 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2vaq n ASN 91 N 3.90 -5.20 -4.76 4.31 5.03 -1.26 -4.97 115.26 112.30 2vaq n ASN 91 Ca 0.20 0.22 -0.39 0.00 0.87 0.00 0.00 54.58 55.48 2vaq n ASN 91 Cb 0.22 -3.49 0.03 0.00 -1.02 0.00 0.00 39.78 35.52 2vaq n ASN 91 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2vaq s SER 92 N -2.44 5.52 0.00 6.41 0.15 -0.64 -4.92 113.70 117.79 2vaq s SER 92 Ca 0.00 2.79 0.02 0.00 0.70 0.00 0.00 55.95 59.46 2vaq s SER 92 Cb 0.00 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2vaq s SER 92 CO 0.00 -1.40 0.65 0.35 1.20 0.00 0.00 173.24 174.03 2vaq n THR 93 N -0.72 0.20 -2.29 6.45 -2.24 -1.26 -4.26 114.28 110.16 2vaq n THR 93 Ca 0.08 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 2vaq n THR 93 Cb 0.44 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2vaq n THR 93 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vaq s ASP 94 N -0.30 6.88 0.44 3.42 1.11 -1.26 -4.89 116.67 122.07 2vaq s ASP 94 Ca 0.02 1.92 0.19 0.00 0.18 0.00 0.00 52.55 54.87 2vaq s ASP 94 Cb 0.01 -2.55 1.04 0.00 1.07 0.00 0.00 42.92 42.50 2vaq s ASP 94 CO 0.02 -0.76 1.94 0.00 1.18 0.00 0.00 175.17 177.55 2vaq h ALA 95 N 8.29 1.36 0.00 5.23 0.00 -1.99 -2.29 119.26 129.84 2vaq h ALA 95 Ca -0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2vaq h ALA 95 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2vaq h ALA 95 CO 0.94 0.30 0.00 0.39 0.00 0.00 0.00 179.25 180.88 2vaq n GLU 96 N -3.89 0.03 0.16 0.00 4.71 -1.26 -0.92 120.64 119.47 2vaq n GLU 96 Ca -0.02 0.05 0.13 0.00 -0.01 0.00 0.00 57.16 57.31 2vaq n GLU 96 Cb 0.32 -1.54 0.46 0.00 -1.01 0.00 0.00 31.44 29.68 2vaq n GLU 96 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2vaq h LYS 97 N 0.00 0.00 -0.62 3.49 1.57 -1.81 -3.38 116.57 115.82 2vaq h LYS 97 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2vaq h LYS 97 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2vaq h LYS 97 CO 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 179.45 178.93 2vaq h ARG 98 N 0.00 1.05 -0.96 3.15 3.08 -1.15 -1.53 114.38 118.03 2vaq h ARG 98 Ca 0.00 -0.30 0.10 0.00 0.07 0.00 0.00 59.98 59.85 2vaq h ARG 98 Cb 0.59 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 2vaq h ARG 98 CO 0.00 1.00 0.59 -1.35 -1.07 0.00 0.00 179.97 179.14 2vaq h PRO 99 N 0.98 0.96 0.00 0.04 0.11 -1.78 0.49 132.00 132.79 2vaq h PRO 99 Ca 0.18 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 2vaq h PRO 99 Cb 0.49 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 2vaq h PRO 99 CO 0.02 0.64 -1.12 -0.07 -0.21 0.00 0.00 178.00 177.26 2vaq h LEU 100 N 0.99 0.00 0.00 2.35 3.38 -1.79 -3.38 115.31 116.86 2vaq h LEU 100 Ca 0.45 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.24 2vaq h LEU 100 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2vaq h LEU 100 CO -0.24 0.68 -1.39 0.00 0.09 0.00 0.00 178.44 177.59 2vaq n GLY 102 N 1.41 0.18 3.07 0.00 0.00 0.16 -4.49 105.19 105.51 2vaq n GLY 102 Ca -0.10 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 2vaq n GLY 102 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vaq s ARG 103 N -2.22 0.51 0.14 1.61 3.00 -1.26 -3.95 118.95 116.78 2vaq s ARG 103 Ca 0.00 0.51 -0.24 0.00 -1.00 0.00 0.00 55.73 55.00 2vaq s ARG 103 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 34.95 34.97 2vaq s ARG 103 CO 0.00 -0.94 0.74 0.99 0.00 0.00 0.00 175.30 176.08 2vaq s THR 104 N 2.74 4.47 -0.14 4.11 2.01 -1.26 -1.73 115.64 125.83 2vaq s THR 104 Ca 0.12 1.60 0.07 0.00 0.31 0.00 0.00 61.69 63.79 2vaq s THR 104 Cb -0.12 -4.09 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 2vaq s THR 104 CO -0.26 0.51 0.21 -1.22 -0.69 0.00 0.00 174.62 173.18 2vaq n TYR 105 N 1.74 0.00 -3.55 4.92 4.01 -0.28 -4.59 117.16 119.41 2vaq n TYR 105 Ca -0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 2vaq n TYR 105 Cb 0.49 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 2vaq n TYR 105 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2vaq s ASP 106 N -2.30 -0.38 -0.10 7.72 -1.08 -1.23 -4.67 116.67 114.63 2vaq s ASP 106 Ca -0.00 0.26 -0.09 0.00 -0.52 0.00 0.00 52.55 52.19 2vaq s ASP 106 Cb 0.05 0.34 0.03 0.00 -1.46 0.00 0.00 42.92 41.87 2vaq s ASP 106 CO 0.28 -0.46 0.27 0.27 0.52 0.00 0.00 175.17 176.05 2vaq s ILE 107 N -1.91 -0.00 -0.06 4.11 -4.36 -1.26 -1.75 121.20 115.96 2vaq s ILE 107 Ca 0.01 0.01 -0.03 0.00 -0.26 0.00 0.00 60.65 60.38 2vaq s ILE 107 Cb -0.01 -0.38 0.04 0.00 1.25 0.00 0.00 42.46 43.36 2vaq s ILE 107 CO -0.02 0.00 0.14 -0.55 0.24 0.00 0.00 174.94 174.75 2vaq s SER 108 N 0.21 -0.04 -0.08 4.36 0.15 -0.25 -4.41 113.70 113.63 2vaq s SER 108 Ca -0.01 0.28 -0.14 0.00 0.70 0.00 0.00 55.95 56.79 2vaq s SER 108 Cb -0.02 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2vaq s SER 108 CO -0.00 -0.15 0.35 -0.47 1.20 0.00 0.00 173.24 174.16 2vaq s TYR 109 N 1.24 3.59 -0.46 3.44 5.04 -1.26 -1.33 117.35 127.61 2vaq s TYR 109 Ca -0.08 0.79 -0.17 0.00 -2.44 0.00 0.00 57.07 55.17 2vaq s TYR 109 Cb -0.12 -2.30 0.05 0.00 0.35 0.00 0.00 41.96 39.94 2vaq s TYR 109 CO -0.06 0.46 0.46 1.21 -1.34 0.00 0.00 175.55 176.28 2vaq s ASN 110 N -0.33 6.18 0.35 4.32 3.84 -0.22 -4.85 114.94 124.22 2vaq s ASN 110 Ca 0.21 -0.99 0.13 0.00 0.21 0.00 0.00 52.86 52.42 2vaq s ASN 110 Cb -0.15 -2.22 0.63 0.00 -0.55 0.00 0.00 41.25 38.96 2vaq s ASN 110 CO 0.09 -0.67 1.76 -0.07 -2.79 0.00 0.00 177.10 175.41 2vaq h LEU 111 N 9.08 0.00 -1.23 3.21 3.38 -1.92 -1.14 115.31 126.69 2vaq h LEU 111 Ca -0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2vaq h LEU 111 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2vaq h LEU 111 CO 0.86 0.44 -0.06 1.56 0.09 0.00 0.00 178.44 181.34 2vaq h GLN 112 N 0.00 0.46 0.00 1.13 1.08 -1.93 -3.30 115.11 112.54 2vaq h GLN 112 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2vaq h GLN 112 Cb 0.80 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2vaq h GLN 112 CO 0.06 0.53 -0.08 0.27 -0.95 0.00 0.00 178.83 178.65 2vaq n ASN 113 N -4.26 0.85 -2.76 1.46 2.04 -1.19 -5.03 115.26 106.37 2vaq n ASN 113 Ca 0.01 -1.69 -0.19 0.00 -0.44 0.00 0.00 54.58 52.27 2vaq n ASN 113 Cb 0.27 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 2vaq n ASN 113 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2vaq n ASN 114 N -0.31 -4.91 -4.85 0.53 4.13 -0.44 -4.97 115.26 104.44 2vaq n ASN 114 Ca 0.02 -0.09 -0.35 0.00 1.68 0.00 0.00 54.58 55.84 2vaq n ASN 114 Cb 0.47 -4.07 -0.06 0.00 -1.54 0.00 0.00 39.78 34.59 2vaq n ASN 114 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2vaq s GLN 115 N -5.39 3.93 -0.20 3.52 -1.52 -1.22 -3.56 119.66 115.21 2vaq s GLN 115 Ca 0.15 0.42 -0.00 0.00 -1.95 0.00 0.00 55.36 53.98 2vaq s GLN 115 Cb -0.07 -2.89 0.02 0.00 -0.22 0.00 0.00 33.01 29.84 2vaq s GLN 115 CO 0.19 0.46 -0.14 -1.17 -0.25 0.00 0.00 175.29 174.37 2vaq s LEU 116 N -2.10 2.50 -0.04 2.90 2.96 -0.53 -1.05 118.68 123.32 2vaq s LEU 116 Ca 0.39 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 2vaq s LEU 116 Cb -0.14 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 2vaq s LEU 116 CO 0.19 -0.03 0.38 -0.31 -1.32 0.00 0.00 176.35 175.26 2vaq s TYR 117 N 1.32 3.66 -0.04 5.38 2.02 -0.44 -0.96 117.35 128.28 2vaq s TYR 117 Ca 0.04 0.90 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 2vaq s TYR 117 Cb -0.14 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.10 2vaq s TYR 117 CO -0.09 0.54 -0.23 0.42 -1.57 0.00 0.00 175.55 174.61 2vaq s ILE 118 N -0.65 1.84 -0.15 2.71 -1.09 -0.42 -1.08 121.20 122.35 2vaq s ILE 118 Ca 0.22 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2vaq s ILE 118 Cb -0.16 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 2vaq s ILE 118 CO 0.11 0.52 -0.17 0.68 -1.23 0.00 0.00 174.94 174.85 2vaq s VAL 119 N -0.30 2.50 -0.02 2.92 -7.23 -0.72 -1.26 120.40 116.29 2vaq s VAL 119 Ca 0.02 -0.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2vaq s VAL 119 Cb -0.11 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 2vaq s VAL 119 CO 0.01 0.52 -0.23 -0.62 -0.31 0.00 0.00 175.10 174.48 2vaq s ASP 120 N 0.86 2.65 0.24 4.85 2.15 -0.32 -1.12 116.67 125.96 2vaq s ASP 120 Ca -0.05 -0.41 -0.05 0.00 0.43 0.00 0.00 52.55 52.47 2vaq s ASP 120 Cb -0.15 -0.31 0.39 0.00 -0.30 0.00 0.00 42.92 42.54 2vaq s ASP 120 CO -0.01 0.27 1.78 0.00 -0.17 0.00 0.00 175.17 177.04 2vaq n TYR 122 N -4.86 0.03 -0.39 0.00 4.01 -1.26 -4.36 117.16 110.33 2vaq n TYR 122 Ca 0.13 0.01 0.03 0.00 -0.16 0.00 0.00 57.90 57.90 2vaq n TYR 122 Cb 0.31 -0.58 0.04 0.00 -0.31 0.00 0.00 39.34 38.81 2vaq n TYR 122 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2vaq n TYR 123 N -2.33 0.00 -2.69 -0.72 4.01 -1.13 -5.08 117.16 109.21 2vaq n TYR 123 Ca -0.08 -0.62 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 2vaq n TYR 123 Cb 0.65 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2vaq n TYR 123 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2vaq n HIS 124 N -0.75 0.00 -2.77 -0.72 8.25 0.21 -4.52 115.22 114.91 2vaq n HIS 124 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 2vaq n HIS 124 Cb 0.38 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2vaq n HIS 124 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2vaq s LEU 125 N 0.00 4.14 0.21 2.41 2.96 -1.01 -1.18 118.68 126.20 2vaq s LEU 125 Ca 0.00 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.14 2vaq s LEU 125 Cb 0.00 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 2vaq s LEU 125 CO 0.00 -0.54 0.23 -0.94 -1.32 0.00 0.00 176.35 173.79 2vaq s SER 126 N 1.21 0.08 0.11 3.68 1.04 -0.39 0.15 113.70 119.58 2vaq s SER 126 Ca 0.41 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2vaq s SER 126 Cb -0.16 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2vaq s SER 126 CO 0.10 -0.93 -0.08 0.54 0.98 0.00 0.00 173.24 173.85 2vaq s VAL 127 N -4.11 0.82 -0.07 5.02 0.11 0.13 -1.30 120.40 121.00 2vaq s VAL 127 Ca 0.33 -1.93 -0.07 0.00 -2.93 0.00 0.00 61.98 57.38 2vaq s VAL 127 Cb 0.05 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 2vaq s VAL 127 CO 0.10 -0.81 0.20 0.54 -3.33 0.00 0.00 175.10 171.80 2vaq s VAL 128 N -3.43 0.01 0.38 2.04 0.11 -0.14 -0.74 120.40 118.63 2vaq s VAL 128 Ca 0.12 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2vaq s VAL 128 Cb 0.04 -0.31 0.09 0.00 -1.53 0.00 0.00 36.38 34.67 2vaq s VAL 128 CO -0.03 -0.04 0.31 0.61 -3.33 0.00 0.00 175.10 172.62 2vaq n GLY 129 N 2.80 -2.83 0.21 6.54 0.00 -1.26 -1.45 105.19 109.19 2vaq n GLY 129 Ca -0.14 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.54 2vaq n GLY 129 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vaq h SER 130 N -1.74 0.00 -0.01 1.61 4.64 -1.93 -2.79 113.55 113.33 2vaq h SER 130 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2vaq h SER 130 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2vaq h SER 130 CO 0.08 0.30 0.00 1.21 -0.87 0.00 0.00 176.83 177.55 2vaq n GLU 131 N -3.67 1.12 0.00 4.77 4.07 -1.26 -5.02 120.64 120.65 2vaq n GLU 131 Ca -0.01 -0.18 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2vaq n GLU 131 Cb 0.41 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 2vaq n GLU 131 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2vaq n GLY 132 N 1.01 1.85 2.44 8.31 0.00 -1.05 -5.04 105.19 112.71 2vaq n GLY 132 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2vaq n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vaq n GLY 133 N 0.00 -1.80 3.81 -0.02 0.00 0.20 -4.50 105.19 102.88 2vaq n GLY 133 Ca 0.00 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 2vaq n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vaq s HIS 134 N 0.00 3.62 0.27 1.61 3.76 -1.26 -2.26 115.29 121.02 2vaq s HIS 134 Ca 0.00 1.52 -0.16 0.00 -0.15 0.00 0.00 55.06 56.27 2vaq s HIS 134 Cb 0.00 -2.73 -0.08 0.00 1.11 0.00 0.00 32.58 30.88 2vaq s HIS 134 CO 0.00 0.25 0.69 0.00 -0.85 0.00 0.00 174.74 174.83 2vaq s ALA 135 N -1.63 3.40 0.02 -1.40 0.00 -0.42 -4.91 121.76 116.81 2vaq s ALA 135 Ca 0.47 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 2vaq s ALA 135 Cb -0.16 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 2vaq s ALA 135 CO 0.21 0.36 1.21 0.99 0.00 0.00 0.00 175.76 178.54 2vaq s THR 136 N -1.79 4.10 -0.00 0.00 2.01 0.09 -4.85 115.64 115.19 2vaq s THR 136 Ca 0.49 1.48 -0.25 0.00 0.31 0.00 0.00 61.69 63.72 2vaq s THR 136 Cb -0.13 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2vaq s THR 136 CO 0.19 0.07 0.76 -1.58 -0.69 0.00 0.00 174.62 173.36 2vaq s GLN 137 N 1.57 4.48 -0.18 4.92 0.74 -1.26 0.20 119.66 130.11 2vaq s GLN 137 Ca 0.58 1.02 0.14 0.00 0.05 0.00 0.00 55.36 57.16 2vaq s GLN 137 Cb -0.28 -3.40 -0.21 0.00 1.10 0.00 0.00 33.01 30.22 2vaq s GLN 137 CO 0.26 0.17 0.03 1.28 -0.55 0.00 0.00 175.29 176.48 2vaq n LEU 138 N 3.28 0.37 -3.64 3.68 4.77 0.39 -4.94 117.00 120.91 2vaq n LEU 138 Ca -0.01 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2vaq n LEU 138 Cb 0.51 0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.81 2vaq n LEU 138 CO 0.47 0.50 0.80 0.00 -1.33 0.00 0.00 177.39 177.83 2vaq s ALA 139 N -2.44 -2.03 0.00 -1.18 0.00 -1.17 -5.04 121.76 109.92 2vaq s ALA 139 Ca -0.12 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2vaq s ALA 139 Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2vaq s ALA 139 CO 0.71 -0.22 0.10 0.25 0.00 0.00 0.00 175.76 176.59 2vaq n THR 140 N 2.19 0.00 -3.52 0.00 -2.24 -1.26 -2.42 114.28 107.03 2vaq n THR 140 Ca -0.12 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2vaq n THR 140 Cb 0.56 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 70.10 2vaq n THR 140 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2vaq s SER 141 N -0.17 -0.46 0.09 3.42 1.04 -1.26 -1.00 113.70 115.37 2vaq s SER 141 Ca 0.00 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2vaq s SER 141 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2vaq s SER 141 CO 0.00 -0.97 -0.10 0.54 0.98 0.00 0.00 173.24 173.69 2vaq s VAL 142 N -3.78 0.88 -0.40 5.02 0.11 -0.93 -4.81 120.40 116.48 2vaq s VAL 142 Ca 0.03 -1.59 -0.02 0.00 -2.93 0.00 0.00 61.98 57.47 2vaq s VAL 142 Cb -0.01 -1.29 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2vaq s VAL 142 CO -0.11 -0.56 0.07 0.47 -3.33 0.00 0.00 175.10 171.64 2vaq n ASP 143 N 0.63 -1.76 -2.03 3.54 9.92 -1.26 0.95 116.55 126.54 2vaq n ASP 143 Ca -0.17 0.27 -0.18 0.00 -0.53 0.00 0.00 54.79 54.19 2vaq n ASP 143 Cb 0.57 -1.60 -0.01 0.00 -0.64 0.00 0.00 41.12 39.45 2vaq n ASP 143 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2vaq n GLY 144 N -0.63 -0.35 2.91 0.44 0.00 -1.26 -4.99 105.19 101.31 2vaq n GLY 144 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2vaq n GLY 144 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vaq s VAL 145 N -2.89 1.22 0.64 1.61 1.01 0.27 -5.11 120.40 117.15 2vaq s VAL 145 Ca 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 2vaq s VAL 145 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2vaq s VAL 145 CO 0.00 0.16 1.15 -2.84 0.00 0.00 0.00 175.10 173.58 2vaq s PRO 146 N 1.59 2.81 0.38 2.72 0.02 -1.26 -2.20 135.00 139.06 2vaq s PRO 146 Ca 0.01 1.61 -0.25 0.00 0.02 0.00 0.00 61.00 62.38 2vaq s PRO 146 Cb -0.15 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 2vaq s PRO 146 CO -0.08 -1.28 1.05 -0.06 -0.33 0.00 0.00 177.00 176.30 2vaq s PHE 147 N -1.99 3.34 -0.20 6.54 0.08 -0.17 -4.86 117.98 120.73 2vaq s PHE 147 Ca 0.72 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 59.42 2vaq s PHE 147 Cb -0.25 -3.14 -0.12 0.00 -0.57 0.00 0.00 43.02 38.95 2vaq s PHE 147 CO 0.37 -0.56 -0.19 1.63 -0.10 0.00 0.00 175.22 176.37 2vaq n LYS 148 N 0.16 0.47 -3.00 0.44 4.76 -1.25 -4.93 118.16 114.82 2vaq n LYS 148 Ca 0.04 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2vaq n LYS 148 Cb 0.49 -1.35 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 2vaq n LYS 148 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2vaq n TRP 149 N -3.28 -2.71 -1.60 2.13 -0.00 -1.26 -4.67 117.44 106.06 2vaq n TRP 149 Ca -0.36 -2.12 -0.39 0.00 -0.00 0.00 0.00 57.50 54.63 2vaq n TRP 149 Cb 0.84 1.01 0.04 0.00 -0.00 0.00 0.00 31.31 33.20 2vaq n TRP 149 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2vaq n LEU 150 N 2.82 3.01 0.00 5.87 4.77 -1.26 -1.38 117.00 130.84 2vaq n LEU 150 Ca 0.22 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2vaq n LEU 150 Cb 0.53 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2vaq n LEU 150 CO 0.02 -1.83 -0.17 0.00 -1.33 0.00 0.00 177.39 174.08 2vaq n TYR 151 N -1.27 0.00 -4.19 -1.77 9.36 -0.77 -4.34 117.16 114.18 2vaq n TYR 151 Ca 0.12 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.20 2vaq n TYR 151 Cb 0.44 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.05 2vaq n TYR 151 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2vaq s ALA 152 N -1.33 1.15 -0.06 2.98 0.00 -1.25 -3.74 121.76 119.51 2vaq s ALA 152 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2vaq s ALA 152 Cb 0.00 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.25 2vaq s ALA 152 CO 0.00 -0.09 0.66 0.54 0.00 0.00 0.00 175.76 176.87 2vaq s VAL 153 N -2.85 0.00 0.03 0.00 0.11 -1.26 -1.10 120.40 115.33 2vaq s VAL 153 Ca 0.09 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.91 2vaq s VAL 153 Cb -0.00 -0.98 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2vaq s VAL 153 CO -0.01 -0.01 0.47 0.28 -3.33 0.00 0.00 175.10 172.49 2vaq s THR 154 N -1.11 0.04 -0.18 5.04 -1.32 0.62 -4.64 115.64 114.09 2vaq s THR 154 Ca -0.11 -0.33 -0.04 0.00 -1.21 0.00 0.00 61.69 60.00 2vaq s THR 154 Cb -0.01 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2vaq s THR 154 CO 0.09 -0.18 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.59 2vaq s VAL 155 N -2.18 3.70 -0.61 5.08 1.01 -1.26 -0.27 120.40 125.88 2vaq s VAL 155 Ca -0.07 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 2vaq s VAL 155 Cb -0.01 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2vaq s VAL 155 CO 0.00 0.46 1.48 -0.62 0.00 0.00 0.00 175.10 176.42 2vaq s ASP 156 N 0.77 5.97 0.24 3.32 2.15 0.12 -4.89 116.67 124.34 2vaq s ASP 156 Ca -0.01 0.15 -0.07 0.00 0.43 0.00 0.00 52.55 53.05 2vaq s ASP 156 Cb -0.15 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.34 2vaq s ASP 156 CO 0.02 -1.86 1.66 1.56 -0.17 0.00 0.00 175.17 176.38 2vaq h GLN 157 N 11.60 0.16 -0.21 4.34 1.08 -1.93 0.39 115.11 130.54 2vaq h GLN 157 Ca -0.27 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 56.97 2vaq h GLN 157 Cb 1.10 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.44 2vaq h GLN 157 CO 1.20 0.11 -0.12 -0.09 -0.95 0.00 0.00 178.83 178.98 2vaq h ARG 158 N 0.17 -0.10 -0.00 1.46 2.43 -1.94 -3.30 114.38 113.09 2vaq h ARG 158 Ca 0.39 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2vaq h ARG 158 Cb 0.68 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2vaq h ARG 158 CO -0.57 -0.07 -0.74 0.25 -1.51 0.00 0.00 179.97 177.33 2vaq n THR 159 N -5.28 0.00 0.00 0.20 -2.24 -0.88 -4.95 114.28 101.12 2vaq n THR 159 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2vaq n THR 159 Cb 0.20 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2vaq n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vaq n GLY 160 N 1.40 2.24 3.79 3.38 0.00 0.13 -4.98 105.19 111.16 2vaq n GLY 160 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2vaq n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vaq s ILE 161 N -2.44 3.62 -0.12 -0.61 1.01 -1.24 -4.58 121.20 116.84 2vaq s ILE 161 Ca 0.00 0.90 0.01 0.00 0.00 0.00 0.00 60.65 61.55 2vaq s ILE 161 Cb 0.00 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 2vaq s ILE 161 CO 0.00 -0.33 -0.15 -0.69 0.00 0.00 0.00 174.94 173.77 2vaq s VAL 162 N -2.14 2.88 -0.04 2.92 1.01 0.03 0.10 120.40 125.17 2vaq s VAL 162 Ca 0.67 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.99 2vaq s VAL 162 Cb -0.18 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2vaq s VAL 162 CO 0.29 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 175.40 2vaq s TYR 163 N 0.31 2.48 0.16 5.22 2.02 0.63 -0.38 117.35 127.79 2vaq s TYR 163 Ca -0.12 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.00 2vaq s TYR 163 Cb -0.16 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2vaq s TYR 163 CO 0.06 -0.03 0.39 -0.59 -1.57 0.00 0.00 175.55 173.81 2vaq s PHE 164 N -0.49 0.04 0.10 2.71 -0.12 -0.34 -0.28 117.98 119.59 2vaq s PHE 164 Ca 0.06 -0.39 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 2vaq s PHE 164 Cb -0.11 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2vaq s PHE 164 CO 0.01 -0.77 -0.14 -0.08 -0.05 0.00 0.00 175.22 174.19 2vaq s THR 165 N -3.88 3.10 -0.07 -4.49 -1.32 -0.26 -0.82 115.64 107.89 2vaq s THR 165 Ca 0.09 -1.33 0.04 0.00 -1.21 0.00 0.00 61.69 59.29 2vaq s THR 165 Cb 0.02 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 2vaq s THR 165 CO -0.05 0.15 -0.20 -0.62 -2.21 0.00 0.00 174.62 171.69 2vaq s ASP 166 N -2.04 2.56 0.06 8.08 2.15 0.25 -1.85 116.67 125.88 2vaq s ASP 166 Ca 0.19 -0.45 0.15 0.00 0.43 0.00 0.00 52.55 52.87 2vaq s ASP 166 Cb -0.11 -1.03 -0.15 0.00 -0.30 0.00 0.00 42.92 41.33 2vaq s ASP 166 CO 0.11 0.13 0.87 -0.37 -0.17 0.00 0.00 175.17 175.74 2vaq h VAL 167 N 5.62 0.72 -4.40 1.11 -1.51 -1.48 0.23 116.25 116.53 2vaq h VAL 167 Ca -0.26 -2.33 -0.26 0.00 -1.23 0.00 0.00 66.70 62.62 2vaq h VAL 167 Cb 1.21 2.24 -0.15 0.00 -2.13 0.00 0.00 31.29 32.46 2vaq h VAL 167 CO 0.47 0.41 -0.62 -0.55 -1.23 0.00 0.00 177.57 176.06 2vaq s SER 168 N -6.01 0.39 0.00 4.19 0.15 -1.26 -2.99 113.70 108.17 2vaq s SER 168 Ca -0.02 -1.38 0.11 0.00 0.70 0.00 0.00 55.95 55.36 2vaq s SER 168 Cb 0.08 0.33 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2vaq s SER 168 CO 0.81 -0.81 0.56 0.35 1.20 0.00 0.00 173.24 175.35 2vaq n THR 169 N -0.30 0.00 -0.07 6.45 -2.24 -1.25 -3.82 114.28 113.05 2vaq n THR 169 Ca 0.01 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 2vaq n THR 169 Cb 0.66 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 2vaq n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vaq n LEU 170 N -0.86 1.24 -4.53 3.22 4.77 -1.26 -4.77 117.00 114.82 2vaq n LEU 170 Ca 0.03 0.15 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 2vaq n LEU 170 Cb 0.20 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 2vaq n LEU 170 CO 0.20 0.35 -0.44 -0.31 -1.33 0.00 0.00 177.39 175.85 2vaq s TYR 171 N -2.27 2.55 0.00 -1.77 2.02 -1.26 -5.07 117.35 111.55 2vaq s TYR 171 Ca -0.20 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2vaq s TYR 171 Cb 0.07 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2vaq s TYR 171 CO 0.26 0.50 0.00 -0.40 -1.57 0.00 0.00 175.55 174.35 2vaq n ASP 172 N 0.13 0.83 -0.25 2.29 5.68 -1.26 -4.31 116.55 119.65 2vaq n ASP 172 Ca -0.11 0.00 0.32 0.00 -0.50 0.00 0.00 54.79 54.50 2vaq n ASP 172 Cb 0.55 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.26 2vaq n ASP 172 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2vaq h ASP 173 N 0.00 0.00 -0.40 -1.12 3.45 -1.95 0.08 116.42 116.48 2vaq h ASP 173 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2vaq h ASP 173 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2vaq h ASP 173 CO 0.00 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 2vaq n ARG 174 N -4.06 2.91 -0.35 3.56 1.74 -1.26 -4.39 116.66 114.81 2vaq n ARG 174 Ca 0.23 -2.26 0.08 0.00 -0.77 0.00 0.00 57.85 55.13 2vaq n ARG 174 Cb 1.17 -1.40 0.24 0.00 -1.02 0.00 0.00 32.46 31.45 2vaq n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vaq n GLY 175 N 0.56 2.95 0.11 -0.13 0.00 0.01 -4.73 105.19 103.96 2vaq n GLY 175 Ca 0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2vaq n GLY 175 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2vaq h VAL 176 N 2.79 0.94 -0.34 1.61 2.07 -1.77 0.39 116.25 121.95 2vaq h VAL 176 Ca 0.00 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2vaq h VAL 176 Cb 1.05 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 2vaq h VAL 176 CO 0.09 0.03 -0.42 -0.61 0.02 0.00 0.00 177.57 176.69 2vaq h GLN 177 N 0.17 -0.35 -0.80 1.57 5.75 -1.95 -0.83 115.11 118.67 2vaq h GLN 177 Ca 0.10 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.80 2vaq h GLN 177 Cb 0.07 0.08 -0.11 0.00 1.07 0.00 0.00 27.48 28.58 2vaq h GLN 177 CO -0.10 -0.23 0.27 1.96 -2.65 0.00 0.00 178.83 178.07 2vaq h GLN 178 N -0.36 0.33 0.09 1.69 7.50 -1.62 0.17 115.11 122.91 2vaq h GLN 178 Ca 0.12 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.27 2vaq h GLN 178 Cb 0.59 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 2vaq h GLN 178 CO -0.53 0.22 -0.22 0.82 -1.50 0.00 0.00 178.83 177.63 2vaq h ILE 179 N 0.34 0.50 -0.62 2.54 2.04 0.49 0.83 117.51 123.64 2vaq h ILE 179 Ca 0.46 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.33 2vaq h ILE 179 Cb 0.81 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 2vaq h ILE 179 CO -0.50 0.00 0.41 0.24 0.00 0.00 0.00 178.15 178.30 2vaq h MET 180 N -0.40 0.81 0.00 2.37 2.86 -0.85 0.28 114.93 120.00 2vaq h MET 180 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2vaq h MET 180 Cb 0.43 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2vaq h MET 180 CO -0.14 0.54 -0.00 -0.44 1.06 0.00 0.00 176.91 177.93 2vaq h ASP 181 N 0.83 0.00 -0.01 1.22 3.32 0.29 -2.53 116.42 119.54 2vaq h ASP 181 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2vaq h ASP 181 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2vaq h ASP 181 CO -0.05 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.82 2vaq n THR 182 N -4.43 0.00 -3.67 0.35 -2.24 0.19 -5.00 114.28 99.49 2vaq n THR 182 Ca -0.03 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.04 2vaq n THR 182 Cb 0.09 1.10 0.04 0.00 -2.10 0.00 0.00 70.33 69.46 2vaq n THR 182 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2vaq n SER 183 N 0.27 -1.36 -4.52 3.42 2.88 0.92 -4.73 113.62 110.50 2vaq n SER 183 Ca 0.03 -0.81 -0.41 0.00 -1.33 0.00 0.00 58.87 56.35 2vaq n SER 183 Cb 0.12 -4.14 -0.07 0.00 -0.75 0.00 0.00 64.21 59.37 2vaq n SER 183 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2vaq n ASP 184 N -3.06 1.76 -3.87 -3.46 2.03 -0.77 -4.89 116.55 104.30 2vaq n ASP 184 Ca -0.29 -0.10 -0.40 0.00 0.52 0.00 0.00 54.79 54.52 2vaq n ASP 184 Cb 0.68 -1.34 -0.01 0.00 -0.72 0.00 0.00 41.12 39.73 2vaq n ASP 184 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2vaq n LYS 185 N 8.69 4.13 -0.23 -0.67 4.81 -1.26 -3.51 118.16 130.12 2vaq n LYS 185 Ca 0.46 -4.59 0.00 0.00 -0.87 0.00 0.00 58.31 53.31 2vaq n LYS 185 Cb 0.34 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.93 2vaq n LYS 185 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2vaq n THR 186 N 1.15 0.10 -0.48 3.15 -2.24 -0.78 -4.28 114.28 110.90 2vaq n THR 186 Ca 0.27 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.66 2vaq n THR 186 Cb 0.34 0.71 0.27 0.00 -2.10 0.00 0.00 70.33 69.55 2vaq n THR 186 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vaq s GLY 187 N -0.60 1.52 -0.17 3.38 0.00 -0.50 -3.83 107.32 107.13 2vaq s GLY 187 Ca 0.01 -0.19 -0.13 0.00 0.00 0.00 0.00 44.72 44.41 2vaq s GLY 187 CO 0.00 0.57 0.43 0.50 0.00 0.00 0.00 173.10 174.61 2vaq s ARG 188 N -4.44 0.47 -0.23 2.90 0.52 0.79 -1.47 118.95 117.50 2vaq s ARG 188 Ca 0.69 0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 56.43 2vaq s ARG 188 Cb -0.25 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 2vaq s ARG 188 CO 0.65 -0.10 0.36 -1.17 0.02 0.00 0.00 175.30 175.07 2vaq s LEU 189 N 0.67 4.11 0.14 2.53 2.96 0.14 -0.58 118.68 128.65 2vaq s LEU 189 Ca -0.04 0.39 0.06 0.00 -0.22 0.00 0.00 54.13 54.33 2vaq s LEU 189 Cb -0.05 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2vaq s LEU 189 CO -0.05 -0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.12 2vaq s ILE 190 N 1.53 1.37 -0.03 6.68 1.01 0.00 -0.97 121.20 130.78 2vaq s ILE 190 Ca 0.16 -1.86 0.03 0.00 0.00 0.00 0.00 60.65 58.98 2vaq s ILE 190 Cb -0.15 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2vaq s ILE 190 CO 0.08 -0.51 -0.12 -0.75 0.00 0.00 0.00 174.94 173.65 2vaq s LYS 191 N -3.02 1.25 -0.13 2.79 2.20 0.71 -1.20 119.74 122.34 2vaq s LYS 191 Ca 0.12 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2vaq s LYS 191 Cb -0.03 -1.13 -0.01 0.00 -1.51 0.00 0.00 37.83 35.15 2vaq s LYS 191 CO 0.03 0.14 -0.14 -0.47 -0.36 0.00 0.00 175.35 174.55 2vaq s TYR 192 N 0.20 2.80 -0.49 4.03 5.04 0.49 -0.42 117.35 128.99 2vaq s TYR 192 Ca -0.04 -0.72 -0.07 0.00 -2.44 0.00 0.00 57.07 53.79 2vaq s TYR 192 Cb -0.10 -1.85 0.13 0.00 0.35 0.00 0.00 41.96 40.49 2vaq s TYR 192 CO 0.01 -0.26 0.34 0.34 -1.34 0.00 0.00 175.55 174.64 2vaq s ASP 193 N 0.43 5.60 0.60 4.32 -1.08 -0.84 -0.79 116.67 124.91 2vaq s ASP 193 Ca -0.10 -2.07 0.28 0.00 -0.52 0.00 0.00 52.55 50.14 2vaq s ASP 193 Cb -0.16 -1.96 1.44 0.00 -1.46 0.00 0.00 42.92 40.78 2vaq s ASP 193 CO 0.05 -0.62 1.85 -0.65 0.52 0.00 0.00 175.17 176.32 2vaq h PRO 194 N 8.19 0.00 0.00 4.34 0.11 -1.90 0.72 132.00 143.46 2vaq h PRO 194 Ca -0.16 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.80 2vaq h PRO 194 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2vaq h PRO 194 CO 0.80 0.00 -0.81 0.66 -0.21 0.00 0.00 178.00 178.45 2vaq h SER 195 N 0.00 0.00 -0.00 -2.05 4.64 -1.93 -3.35 113.55 110.86 2vaq h SER 195 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2vaq h SER 195 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2vaq h SER 195 CO -0.00 0.69 -0.51 0.35 -0.87 0.00 0.00 176.83 176.49 2vaq n THR 196 N -3.23 0.00 -1.56 2.95 -2.24 0.37 -4.98 114.28 105.59 2vaq n THR 196 Ca -0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 2vaq n THR 196 Cb 0.83 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.97 2vaq n THR 196 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vaq n LYS 197 N -1.25 -1.45 -3.95 -0.78 4.01 0.22 -4.95 118.16 110.00 2vaq n LYS 197 Ca 0.02 1.18 -0.35 0.00 -0.51 0.00 0.00 58.31 58.64 2vaq n LYS 197 Cb 0.17 -5.55 -0.08 0.00 -0.51 0.00 0.00 35.03 29.06 2vaq n LYS 197 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2vaq s GLU 198 N -3.63 3.72 -0.07 1.97 2.02 -1.23 -4.90 118.70 116.58 2vaq s GLU 198 Ca 0.00 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.50 2vaq s GLU 198 Cb 0.00 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2vaq s GLU 198 CO 0.00 0.50 0.72 0.99 0.02 0.00 0.00 175.26 177.49 2vaq s THR 199 N -0.25 5.03 -0.04 3.63 2.01 -1.26 -1.99 115.64 122.77 2vaq s THR 199 Ca 0.09 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.59 2vaq s THR 199 Cb -0.12 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.35 2vaq s THR 199 CO 0.01 0.24 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.21 2vaq s THR 200 N 0.85 0.78 -0.14 -0.82 2.01 0.44 -4.86 115.64 113.89 2vaq s THR 200 Ca 0.38 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.84 2vaq s THR 200 Cb -0.18 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 2vaq s THR 200 CO 0.18 0.26 0.73 -0.22 -0.69 0.00 0.00 174.62 174.89 2vaq s LEU 201 N 0.53 4.21 -0.23 4.42 2.96 -1.26 -0.21 118.68 129.11 2vaq s LEU 201 Ca -0.09 1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.82 2vaq s LEU 201 Cb -0.12 -3.08 -0.18 0.00 0.50 0.00 0.00 46.19 43.31 2vaq s LEU 201 CO 0.01 -0.27 -0.08 0.18 -1.32 0.00 0.00 176.35 174.87 2vaq n LEU 202 N 4.69 2.40 -3.78 -0.68 4.77 -0.15 -4.97 117.00 119.28 2vaq n LEU 202 Ca 0.01 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2vaq n LEU 202 Cb 0.50 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2vaq n LEU 202 CO 0.47 0.69 -0.05 -0.76 -1.33 0.00 0.00 177.39 176.41 2vaq s LEU 203 N -7.17 0.93 0.43 2.23 1.43 -0.76 -4.99 118.68 110.79 2vaq s LEU 203 Ca -0.33 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2vaq s LEU 203 Cb 0.10 0.99 -0.02 0.00 0.03 0.00 0.00 46.19 47.29 2vaq s LEU 203 CO 0.60 -0.14 0.12 -1.59 0.23 0.00 0.00 176.35 175.57 2vaq s LYS 204 N -0.03 2.00 -1.48 1.70 -2.85 -1.26 0.24 119.74 118.06 2vaq s LYS 204 Ca -0.02 -2.24 -0.08 0.00 -1.00 0.00 0.00 55.97 52.63 2vaq s LYS 204 Cb -0.02 -0.72 0.06 0.00 -2.06 0.00 0.00 37.83 35.09 2vaq s LYS 204 CO 0.01 -0.50 0.72 0.39 0.10 0.00 0.00 175.35 176.07 2vaq n GLU 205 N -0.99 -4.32 -2.67 1.78 1.02 -0.54 -4.89 120.64 110.03 2vaq n GLU 205 Ca -0.08 0.51 -0.30 0.00 -0.02 0.00 0.00 57.16 57.26 2vaq n GLU 205 Cb 0.65 -5.08 -0.03 0.00 -0.02 0.00 0.00 31.44 26.97 2vaq n GLU 205 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2vaq s LEU 206 N -7.05 3.73 -1.23 -4.62 1.43 -0.59 -4.64 118.68 105.71 2vaq s LEU 206 Ca 0.34 1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 2vaq s LEU 206 Cb -0.18 -4.14 0.20 0.00 0.03 0.00 0.00 46.19 42.11 2vaq s LEU 206 CO 0.86 -0.49 1.77 1.57 0.23 0.00 0.00 176.35 180.29 2vaq n HIS 207 N -1.54 2.79 -3.09 0.29 -0.00 -1.26 -1.41 115.22 110.99 2vaq n HIS 207 Ca 0.03 -2.74 -0.02 0.00 0.46 0.00 0.00 57.72 55.45 2vaq n HIS 207 Cb 0.54 -1.77 0.01 0.00 -0.12 0.00 0.00 29.99 28.65 2vaq n HIS 207 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2vaq n VAL 208 N 2.81-10.03 -2.01 3.57 0.31 -1.23 -1.58 118.33 110.17 2vaq n VAL 208 Ca 0.36 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.85 2vaq n VAL 208 Cb 0.35 -6.88 -0.03 0.00 -0.91 0.00 0.00 33.84 26.38 2vaq n VAL 208 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2vaq s PRO 209 N -3.22 3.25 0.00 5.55 0.04 -1.26 -1.33 135.00 138.04 2vaq s PRO 209 Ca 0.07 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2vaq s PRO 209 Cb -0.01 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2vaq s PRO 209 CO 0.75 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2vaq n GLY 210 N 5.45 -1.28 3.61 0.56 0.00 -0.31 -4.62 105.19 108.59 2vaq n GLY 210 Ca 0.23 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2vaq n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vaq s GLY 211 N 0.00 1.57 -0.04 -0.02 0.00 0.28 -4.50 107.32 104.62 2vaq s GLY 211 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.81 2vaq s GLY 211 CO 0.00 0.05 0.36 0.00 0.00 0.00 0.00 173.10 173.52 2vaq s ALA 212 N -2.97 -0.93 -0.00 3.20 0.00 -1.26 -1.00 121.76 118.80 2vaq s ALA 212 Ca 0.69 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.93 2vaq s ALA 212 Cb -0.13 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2vaq s ALA 212 CO 0.57 -0.26 0.59 -2.00 0.00 0.00 0.00 175.76 174.66 2vaq s GLU 213 N -1.12 1.03 0.11 0.00 2.56 -0.24 -4.65 118.70 116.39 2vaq s GLU 213 Ca -0.12 0.03 0.01 0.00 0.00 0.00 0.00 54.97 54.89 2vaq s GLU 213 Cb -0.04 0.48 -0.04 0.00 2.00 0.00 0.00 34.13 36.53 2vaq s GLU 213 CO 0.04 -0.34 0.25 0.54 -0.56 0.00 0.00 175.26 175.20 2vaq s VAL 214 N -1.72 5.35 0.43 3.70 0.11 -1.26 0.35 120.40 127.35 2vaq s VAL 214 Ca -0.09 -0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 58.31 2vaq s VAL 214 Cb -0.01 -3.68 -0.09 0.00 -1.53 0.00 0.00 36.38 31.07 2vaq s VAL 214 CO 0.05 0.03 0.89 -0.94 -3.33 0.00 0.00 175.10 171.79 2vaq s SER 215 N -2.83 6.72 0.42 3.54 1.04 -0.48 -4.86 113.70 117.26 2vaq s SER 215 Ca 0.35 1.47 0.20 0.00 0.48 0.00 0.00 55.95 58.45 2vaq s SER 215 Cb -0.12 -2.46 1.11 0.00 0.10 0.00 0.00 66.02 64.65 2vaq s SER 215 CO 0.28 -0.42 1.57 0.00 0.98 0.00 0.00 173.24 175.66 2vaq h ALA 216 N 1.51 1.19 -0.03 5.32 0.00 -1.91 -1.31 119.26 124.03 2vaq h ALA 216 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vaq h ALA 216 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vaq h ALA 216 CO 0.63 -0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 2vaq n ASP 217 N -2.35 1.61 0.00 0.00 5.68 -1.26 -4.99 116.55 115.25 2vaq n ASP 217 Ca -0.01 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2vaq n ASP 217 Cb 0.27 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 2vaq n ASP 217 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2vaq n SER 218 N -0.09 -3.55 0.21 -1.12 7.64 -0.49 -4.85 113.62 111.36 2vaq n SER 218 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.98 2vaq n SER 218 Cb 0.15 -1.84 0.39 0.00 -1.01 0.00 0.00 64.21 61.90 2vaq n SER 218 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2vaq h SER 219 N 0.00 0.00 -5.08 6.43 4.64 -1.94 -3.41 113.55 114.18 2vaq h SER 219 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2vaq h SER 219 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.39 2vaq h SER 219 CO 0.00 0.27 0.07 0.72 -0.87 0.00 0.00 176.83 177.01 2vaq s PHE 220 N -3.57 -0.12 0.05 4.77 -0.12 -1.26 0.82 117.98 118.56 2vaq s PHE 220 Ca 0.01 -0.23 0.06 0.00 -0.05 0.00 0.00 56.93 56.72 2vaq s PHE 220 Cb 0.10 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2vaq s PHE 220 CO 0.66 -0.97 -0.17 0.08 -0.05 0.00 0.00 175.22 174.77 2vaq s VAL 221 N -3.88 1.34 0.12 -2.49 1.01 0.22 -1.39 120.40 115.33 2vaq s VAL 221 Ca 0.10 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.98 2vaq s VAL 221 Cb -0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2vaq s VAL 221 CO -0.01 0.01 -0.08 -0.76 0.00 0.00 0.00 175.10 174.26 2vaq s LEU 222 N -1.35 3.09 -0.00 3.92 1.43 0.15 -0.36 118.68 125.56 2vaq s LEU 222 Ca 0.03 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2vaq s LEU 222 Cb -0.09 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2vaq s LEU 222 CO 0.02 0.15 0.04 0.54 0.23 0.00 0.00 176.35 177.34 2vaq s VAL 223 N -1.36 0.06 -0.10 -1.59 0.11 0.28 -1.08 120.40 116.71 2vaq s VAL 223 Ca 0.23 -0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 2vaq s VAL 223 Cb -0.11 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2vaq s VAL 223 CO 0.15 -0.28 0.18 0.00 -3.33 0.00 0.00 175.10 171.82 2vaq s ALA 224 N -0.88 3.85 -0.32 1.54 0.00 -0.17 -0.16 121.76 125.62 2vaq s ALA 224 Ca -0.10 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 2vaq s ALA 224 Cb -0.06 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2vaq s ALA 224 CO -0.00 0.59 0.11 -1.21 0.00 0.00 0.00 175.76 175.25 2vaq s GLU 225 N -1.00 2.89 0.15 0.00 2.02 -0.31 -1.17 118.70 121.28 2vaq s GLU 225 Ca 0.16 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.98 2vaq s GLU 225 Cb -0.13 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.64 2vaq s GLU 225 CO 0.05 -0.56 1.80 0.35 0.02 0.00 0.00 175.26 176.92 2vaq h PHE 226 N 8.26 0.41 -0.00 1.61 3.57 -0.97 -1.41 116.94 128.41 2vaq h PHE 226 Ca -0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2vaq h PHE 226 Cb 1.11 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2vaq h PHE 226 CO 0.60 0.25 -0.07 1.28 -2.23 0.00 0.00 178.31 178.14 2vaq n LEU 227 N -4.87 0.15 -0.37 0.59 4.77 -0.62 -2.81 117.00 113.84 2vaq n LEU 227 Ca -0.00 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2vaq n LEU 227 Cb 0.03 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2vaq n LEU 227 CO 0.34 0.03 0.54 -1.20 -1.33 0.00 0.00 177.39 175.77 2vaq n SER 228 N -1.30 2.39 -3.93 -1.43 7.64 -1.07 -5.02 113.62 110.91 2vaq n SER 228 Ca 0.11 -1.87 -0.26 0.00 1.01 0.00 0.00 58.87 57.86 2vaq n SER 228 Cb 0.29 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 2vaq n SER 228 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2vaq n HIS 229 N 0.17 -1.74 -3.72 1.43 8.25 -0.55 -4.90 115.22 114.15 2vaq n HIS 229 Ca 0.07 0.78 -0.14 0.00 -0.26 0.00 0.00 57.72 58.17 2vaq n HIS 229 Cb 0.33 -3.81 -0.09 0.00 1.12 0.00 0.00 29.99 27.54 2vaq n HIS 229 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2vaq s GLN 230 N -6.48 0.63 -0.17 -0.41 -2.07 -1.14 -0.39 119.66 109.63 2vaq s GLN 230 Ca 0.10 0.18 -0.17 0.00 -1.82 0.00 0.00 55.36 53.66 2vaq s GLN 230 Cb -0.06 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2vaq s GLN 230 CO 0.87 -0.14 0.44 0.42 -1.32 0.00 0.00 175.29 175.56 2vaq s ILE 231 N -0.65 5.19 -0.00 3.63 -1.09 -0.16 -1.16 121.20 126.96 2vaq s ILE 231 Ca -0.07 0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2vaq s ILE 231 Cb -0.04 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2vaq s ILE 231 CO 0.03 0.28 0.07 -0.69 -1.23 0.00 0.00 174.94 173.40 2vaq s VAL 232 N 1.03 4.65 -0.23 2.92 1.01 0.78 -0.61 120.40 129.96 2vaq s VAL 232 Ca 0.22 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2vaq s VAL 232 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2vaq s VAL 232 CO 0.09 0.35 0.03 -0.75 0.00 0.00 0.00 175.10 174.82 2vaq s LYS 233 N -1.72 3.62 -0.20 2.72 2.20 -0.34 -0.56 119.74 125.47 2vaq s LYS 233 Ca 0.22 -0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 55.25 2vaq s LYS 233 Cb -0.12 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2vaq s LYS 233 CO 0.13 -0.10 0.07 -0.47 -0.36 0.00 0.00 175.35 174.63 2vaq s TYR 234 N 1.33 3.23 -0.21 4.03 5.04 0.51 -1.92 117.35 129.36 2vaq s TYR 234 Ca 0.05 0.02 -0.24 0.00 -2.44 0.00 0.00 57.07 54.45 2vaq s TYR 234 Cb -0.15 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 2vaq s TYR 234 CO 0.02 0.07 0.80 -1.58 -1.34 0.00 0.00 175.55 173.51 2vaq s TRP 235 N 0.63 3.36 -0.08 4.97 0.52 -1.07 -0.61 118.94 126.66 2vaq s TRP 235 Ca 0.04 1.14 0.14 0.00 0.02 0.00 0.00 56.10 57.44 2vaq s TRP 235 Cb -0.13 -3.00 -0.21 0.00 -1.15 0.00 0.00 33.47 28.99 2vaq s TRP 235 CO 0.01 -0.31 0.67 1.28 0.02 0.00 0.00 176.95 178.62 2vaq n LEU 236 N 5.61 0.80 0.00 2.99 4.77 0.24 -0.98 117.00 130.43 2vaq n LEU 236 Ca 0.04 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 2vaq n LEU 236 Cb 0.48 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2vaq n LEU 236 CO 0.47 0.32 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.09 2vaq n GLU 237 N -2.97 0.75 0.00 3.23 -0.58 -0.73 -4.81 120.64 115.52 2vaq n GLU 237 Ca -0.16 -2.83 0.00 0.00 -0.42 0.00 0.00 57.16 53.75 2vaq n GLU 237 Cb 1.00 1.32 0.00 0.00 -0.57 0.00 0.00 31.44 33.19 2vaq n GLU 237 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vaq n GLY 238 N -0.11 -1.23 0.00 0.62 0.00 -1.26 -3.71 105.19 99.50 2vaq n GLY 238 Ca -0.08 -1.57 0.11 0.00 0.00 0.00 0.00 46.02 44.48 2vaq n GLY 238 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vaq n PRO 239 N -1.07 0.04 -0.25 1.61 -0.04 -1.26 -2.29 135.00 131.73 2vaq n PRO 239 Ca 0.00 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2vaq n PRO 239 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 2vaq n PRO 239 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2vaq n LYS 240 N -1.48 2.20 -1.68 0.54 5.02 -1.26 -4.96 118.16 116.54 2vaq n LYS 240 Ca 0.06 -1.86 -0.54 0.00 -2.02 0.00 0.00 58.31 53.95 2vaq n LYS 240 Cb 0.26 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 2vaq n LYS 240 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2vaq n LYS 241 N 1.02 1.39 -0.43 1.97 4.81 -0.97 -1.77 118.16 124.18 2vaq n LYS 241 Ca 0.18 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2vaq n LYS 241 Cb 0.44 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.28 2vaq n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vaq n GLY 242 N 3.85 0.73 3.93 3.14 0.00 -0.15 -4.99 105.19 111.71 2vaq n GLY 242 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2vaq n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vaq s THR 243 N -2.63 5.34 0.10 2.61 2.01 -0.73 -4.92 115.64 117.41 2vaq s THR 243 Ca 0.00 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2vaq s THR 243 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2vaq s THR 243 CO 0.00 -0.01 0.10 0.00 -0.69 0.00 0.00 174.62 174.02 2vaq s ALA 244 N -1.66 3.61 -0.05 7.40 0.00 -1.26 -2.59 121.76 127.21 2vaq s ALA 244 Ca 0.35 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2vaq s ALA 244 Cb -0.12 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.56 2vaq s ALA 244 CO 0.28 0.70 0.17 -1.21 0.00 0.00 0.00 175.76 175.71 2vaq s GLU 245 N -2.56 0.30 0.05 0.00 2.02 -0.81 -5.01 118.70 112.70 2vaq s GLU 245 Ca 0.30 0.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.04 2vaq s GLU 245 Cb -0.12 0.14 -0.06 0.00 0.10 0.00 0.00 34.13 34.19 2vaq s GLU 245 CO 0.23 -0.05 1.29 0.08 0.02 0.00 0.00 175.26 176.82 2vaq s VAL 246 N -0.36 3.80 -0.22 2.63 1.01 -1.26 -1.20 120.40 124.79 2vaq s VAL 246 Ca -0.04 1.26 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 2vaq s VAL 246 Cb -0.03 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.36 2vaq s VAL 246 CO 0.01 0.07 0.06 -0.11 0.00 0.00 0.00 175.10 175.12 2vaq n LEU 247 N 4.34 2.01 -3.70 3.92 7.94 0.22 -4.87 117.00 126.87 2vaq n LEU 247 Ca 0.11 0.35 -0.14 0.00 -1.11 0.00 0.00 56.01 55.22 2vaq n LEU 247 Cb 0.45 -0.94 -0.08 0.00 0.53 0.00 0.00 43.42 43.38 2vaq n LEU 247 CO 0.57 0.45 0.12 0.54 -1.11 0.00 0.00 177.39 177.95 2vaq s VAL 248 N -2.43 0.05 -0.09 1.96 0.11 -1.21 -4.46 120.40 114.33 2vaq s VAL 248 Ca -0.31 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 58.24 2vaq s VAL 248 Cb 0.09 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2vaq s VAL 248 CO 0.58 -0.22 0.23 -0.54 -3.33 0.00 0.00 175.10 171.83 2vaq s LYS 249 N -1.59 3.69 0.01 1.54 1.02 -1.26 -0.99 119.74 122.16 2vaq s LYS 249 Ca -0.11 0.05 0.02 0.00 0.02 0.00 0.00 55.97 55.95 2vaq s LYS 249 Cb -0.03 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2vaq s LYS 249 CO 0.04 0.68 -0.07 0.42 -0.92 0.00 0.00 175.35 175.50 2vaq s ILE 250 N -0.84 0.53 0.21 2.17 -1.09 0.48 -4.94 121.20 117.71 2vaq s ILE 250 Ca 0.17 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 57.85 2vaq s ILE 250 Cb -0.13 -0.48 -0.09 0.00 -1.58 0.00 0.00 42.46 40.17 2vaq s ILE 250 CO 0.07 0.04 1.42 -2.84 -1.23 0.00 0.00 174.94 172.40 2vaq s PRO 251 N -0.44 4.29 -0.34 2.79 0.02 -1.26 -3.80 135.00 136.26 2vaq s PRO 251 Ca 0.00 2.22 -0.10 0.00 0.02 0.00 0.00 61.00 63.14 2vaq s PRO 251 Cb -0.04 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.34 2vaq s PRO 251 CO -0.00 -0.41 0.33 0.09 -0.33 0.00 0.00 177.00 176.68 2vaq n ASN 252 N 2.88 -2.68 -4.77 2.53 3.02 -1.25 -3.56 115.26 111.44 2vaq n ASN 252 Ca 0.08 -0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 53.92 2vaq n ASN 252 Cb 0.41 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 2vaq n ASN 252 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2vaq s PRO 253 N -2.48 4.54 0.00 3.52 0.04 -1.26 -0.37 135.00 138.98 2vaq s PRO 253 Ca 0.10 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2vaq s PRO 253 Cb -0.01 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2vaq s PRO 253 CO 0.47 0.48 0.00 0.41 0.04 0.00 0.00 177.00 178.39 2vaq n GLY 254 N 1.86 0.89 3.78 0.56 0.00 0.40 -4.00 105.19 108.68 2vaq n GLY 254 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2vaq n GLY 254 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vaq s ASN 255 N -0.41 7.19 -0.16 1.61 3.84 -0.46 -0.55 114.94 126.00 2vaq s ASN 255 Ca 0.00 1.90 -0.02 0.00 0.21 0.00 0.00 52.86 54.95 2vaq s ASN 255 Cb 0.00 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.10 2vaq s ASN 255 CO 0.00 -0.18 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.43 2vaq s ILE 256 N -1.62 3.46 -0.10 -5.21 1.01 -1.26 -2.93 121.20 114.55 2vaq s ILE 256 Ca 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2vaq s ILE 256 Cb -0.20 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2vaq s ILE 256 CO 0.25 0.49 -0.09 -0.54 0.00 0.00 0.00 174.94 175.06 2vaq s LYS 257 N 0.59 1.53 0.60 2.79 -0.14 -0.53 -4.48 119.74 120.10 2vaq s LYS 257 Ca -0.05 -0.28 -0.19 0.00 -1.36 0.00 0.00 55.97 54.09 2vaq s LYS 257 Cb -0.15 -1.50 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 2vaq s LYS 257 CO 0.03 -0.18 1.21 0.50 -0.76 0.00 0.00 175.35 176.14 2vaq s ARG 258 N 1.41 2.93 0.38 1.68 3.52 -1.26 -1.55 118.95 126.07 2vaq s ARG 258 Ca -0.01 1.81 0.02 0.00 -0.13 0.00 0.00 55.73 57.42 2vaq s ARG 258 Cb -0.13 -1.93 0.02 0.00 -1.56 0.00 0.00 34.95 31.35 2vaq s ARG 258 CO -0.05 -1.23 0.14 0.27 -0.81 0.00 0.00 175.30 173.62 2vaq n ASN 259 N -1.66 2.66 -0.28 -2.12 0.23 0.59 -4.80 115.26 109.87 2vaq n ASN 259 Ca 0.14 -2.50 0.15 0.00 -0.53 0.00 0.00 54.58 51.84 2vaq n ASN 259 Cb 0.50 0.12 0.41 0.00 -2.08 0.00 0.00 39.78 38.73 2vaq n ASN 259 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vaq h ALA 260 N 0.95 1.94 -0.01 -2.53 0.00 -1.89 0.38 119.26 118.10 2vaq h ALA 260 Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2vaq h ALA 260 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2vaq h ALA 260 CO 0.45 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 2vaq n ASP 261 N -4.59 0.10 -0.15 0.00 8.00 -1.26 -4.84 116.55 113.81 2vaq n ASP 261 Ca 0.20 -1.39 -0.02 0.00 0.71 0.00 0.00 54.79 54.29 2vaq n ASP 261 Cb 0.59 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2vaq n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vaq n GLY 262 N 0.83 0.55 4.01 0.44 0.00 0.13 -5.03 105.19 106.13 2vaq n GLY 262 Ca 0.15 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2vaq n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vaq s HIS 263 N -2.01 1.42 -0.05 1.61 3.76 -1.26 -4.71 115.29 114.06 2vaq s HIS 263 Ca 0.00 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 2vaq s HIS 263 Cb 0.00 -2.68 0.01 0.00 1.11 0.00 0.00 32.58 31.03 2vaq s HIS 263 CO 0.00 -1.53 -0.10 -0.06 -0.85 0.00 0.00 174.74 172.20 2vaq s PHE 264 N -2.97 1.18 -0.17 1.40 0.08 0.54 -0.30 117.98 117.73 2vaq s PHE 264 Ca 0.65 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 57.27 2vaq s PHE 264 Cb -0.05 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2vaq s PHE 264 CO 0.42 -0.21 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.73 2vaq s TRP 265 N 0.61 3.02 0.15 0.36 0.52 -0.59 0.07 118.94 123.08 2vaq s TRP 265 Ca -0.11 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.70 2vaq s TRP 265 Cb -0.14 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2vaq s TRP 265 CO 0.02 -0.13 -0.17 0.54 0.02 0.00 0.00 176.95 177.23 2vaq s VAL 266 N 0.63 1.64 -0.17 4.03 0.11 0.44 -1.46 120.40 125.62 2vaq s VAL 266 Ca -0.02 -1.84 -0.19 0.00 -2.93 0.00 0.00 61.98 57.01 2vaq s VAL 266 Cb -0.14 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 2vaq s VAL 266 CO 0.02 -0.34 0.51 -0.94 -3.33 0.00 0.00 175.10 171.02 2vaq s SER 267 N -2.57 6.62 -0.24 3.54 1.04 -1.15 -1.20 113.70 119.74 2vaq s SER 267 Ca 0.13 0.74 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 2vaq s SER 267 Cb -0.05 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 2vaq s SER 267 CO 0.05 -0.12 0.02 -0.55 0.98 0.00 0.00 173.24 173.62 2vaq s SER 268 N 0.97 4.73 -0.98 7.02 0.15 0.15 -0.45 113.70 125.29 2vaq s SER 268 Ca 0.25 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 2vaq s SER 268 Cb -0.15 -1.83 0.25 0.00 -1.71 0.00 0.00 66.02 62.57 2vaq s SER 268 CO 0.10 -0.03 0.94 -1.20 1.20 0.00 0.00 173.24 174.25 2vaq n SER 269 N 4.86 4.76 -4.68 5.45 7.64 0.50 -0.33 113.62 131.82 2vaq n SER 269 Ca -0.17 -3.12 -0.42 0.00 1.01 0.00 0.00 58.87 56.16 2vaq n SER 269 Cb 0.51 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 2vaq n SER 269 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2vaq s GLU 270 N -1.46 4.15 -0.70 1.43 2.12 -0.69 -4.49 118.70 119.06 2vaq s GLU 270 Ca 0.29 2.52 -0.18 0.00 0.36 0.00 0.00 54.97 57.97 2vaq s GLU 270 Cb -0.07 -3.77 0.13 0.00 0.26 0.00 0.00 34.13 30.68 2vaq s GLU 270 CO -0.10 -0.85 0.81 -1.21 -0.54 0.00 0.00 175.26 173.37 2vaq s GLU 271 N 3.25 3.25 0.55 4.30 2.02 -1.26 -0.34 118.70 130.47 2vaq s GLU 271 Ca 0.81 -1.58 0.33 0.00 0.02 0.00 0.00 54.97 54.55 2vaq s GLU 271 Cb -0.43 -4.42 1.55 0.00 0.10 0.00 0.00 34.13 30.92 2vaq s GLU 271 CO 0.36 -1.56 2.07 -0.07 0.02 0.00 0.00 175.26 176.08 2vaq h LEU 272 N 9.76 0.00 -2.64 1.80 3.38 -1.06 -2.60 115.31 123.95 2vaq h LEU 272 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2vaq h LEU 272 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2vaq h LEU 272 CO 1.05 0.06 0.00 0.47 0.09 0.00 0.00 178.44 180.11 2vaq n ASP 273 N -3.27 3.50 0.00 -0.43 8.00 -1.25 -4.95 116.55 118.15 2vaq n ASP 273 Ca -0.01 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.52 2vaq n ASP 273 Cb 0.26 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2vaq n ASP 273 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vaq n GLY 274 N 1.28 2.64 3.27 0.44 0.00 -0.98 -4.96 105.19 106.87 2vaq n GLY 274 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 2vaq n GLY 274 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vaq s ASN 275 N -1.56 1.09 0.10 1.61 4.22 -1.26 -5.06 114.94 114.09 2vaq s ASN 275 Ca 0.00 -1.61 0.28 0.00 -2.14 0.00 0.00 52.86 49.39 2vaq s ASN 275 Cb 0.00 0.50 1.04 0.00 1.28 0.00 0.00 41.25 44.07 2vaq s ASN 275 CO 0.00 -1.00 1.86 1.15 -2.04 0.00 0.00 177.10 177.07 2vaq n MET 276 N -0.49 0.12 0.00 3.55 0.00 -1.26 -2.90 117.12 116.14 2vaq n MET 276 Ca 0.05 0.10 0.09 0.00 0.00 0.00 0.00 57.70 57.94 2vaq n MET 276 Cb 0.64 -1.64 -0.01 0.00 0.00 0.00 0.00 33.22 32.21 2vaq n MET 276 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2vaq n HIS 277 N -1.85 0.00 -0.71 3.17 8.25 -1.26 -4.93 115.22 117.89 2vaq n HIS 277 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2vaq n HIS 277 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2vaq n HIS 277 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vaq n GLY 278 N 1.22 1.10 3.78 -1.41 0.00 -1.14 -5.06 105.19 103.67 2vaq n GLY 278 Ca 0.07 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 2vaq n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vaq s ARG 279 N 1.84 4.61 -0.07 1.61 0.52 -1.26 -4.94 118.95 121.25 2vaq s ARG 279 Ca 0.00 1.31 0.01 0.00 -0.52 0.00 0.00 55.73 56.52 2vaq s ARG 279 Cb 0.00 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.55 2vaq s ARG 279 CO 0.00 0.36 -0.07 0.08 0.02 0.00 0.00 175.30 175.69 2vaq s VAL 280 N -1.48 0.86 -0.60 3.52 1.01 -1.26 -0.40 120.40 122.05 2vaq s VAL 280 Ca 0.46 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 2vaq s VAL 280 Cb -0.20 -0.86 0.15 0.00 0.00 0.00 0.00 36.38 35.47 2vaq s VAL 280 CO 0.25 0.31 0.53 -0.62 0.00 0.00 0.00 175.10 175.57 2vaq s ASP 281 N 1.17 6.17 -0.08 3.32 -1.08 0.53 -3.54 116.67 123.17 2vaq s ASP 281 Ca -0.06 -2.08 -0.24 0.00 -0.52 0.00 0.00 52.55 49.66 2vaq s ASP 281 Cb -0.14 -2.15 -0.03 0.00 -1.46 0.00 0.00 42.92 39.14 2vaq s ASP 281 CO -0.02 -0.74 0.73 -2.16 0.52 0.00 0.00 175.17 173.51 2vaq s PRO 282 N 1.14 4.41 -0.02 4.34 0.05 -1.26 -1.70 135.00 141.97 2vaq s PRO 282 Ca 0.08 0.92 0.01 0.00 0.05 0.00 0.00 61.00 62.05 2vaq s PRO 282 Cb -0.24 -3.47 0.01 0.00 0.05 0.00 0.00 34.50 30.85 2vaq s PRO 282 CO -0.01 -0.01 -0.01 0.15 0.05 0.00 0.00 177.00 177.16 2vaq s LYS 283 N 1.06 0.25 -0.02 4.56 1.02 0.55 -1.81 119.74 125.35 2vaq s LYS 283 Ca 0.38 -0.01 -0.22 0.00 0.02 0.00 0.00 55.97 56.15 2vaq s LYS 283 Cb -0.18 -0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 2vaq s LYS 283 CO 0.18 -0.04 0.64 0.20 -0.92 0.00 0.00 175.35 175.41 2vaq s GLY 284 N 0.48 2.62 -0.02 -3.33 0.00 0.08 0.32 107.32 107.47 2vaq s GLY 284 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.80 2vaq s GLY 284 CO -0.01 0.93 -0.16 -0.42 0.00 0.00 0.00 173.10 173.44 2vaq s ILE 285 N 0.19 1.28 -0.13 0.90 1.01 -0.34 -0.24 121.20 123.86 2vaq s ILE 285 Ca 0.34 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 2vaq s ILE 285 Cb -0.18 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 2vaq s ILE 285 CO 0.18 0.37 -0.13 -0.75 0.00 0.00 0.00 174.94 174.60 2vaq s LYS 286 N -0.17 3.38 0.37 2.79 2.20 -0.49 -0.42 119.74 127.39 2vaq s LYS 286 Ca 0.02 -0.68 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 2vaq s LYS 286 Cb -0.08 -2.63 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 2vaq s LYS 286 CO 0.00 0.22 0.12 -0.59 -0.36 0.00 0.00 175.35 174.75 2vaq s PHE 287 N 0.32 1.78 0.52 4.03 -0.12 0.11 0.40 117.98 125.02 2vaq s PHE 287 Ca -0.10 -1.25 0.02 0.00 -0.05 0.00 0.00 56.93 55.55 2vaq s PHE 287 Cb -0.16 -1.11 0.02 0.00 -0.63 0.00 0.00 43.02 41.14 2vaq s PHE 287 CO 0.06 -0.30 0.19 -0.40 -0.05 0.00 0.00 175.22 174.72 2vaq n ASP 288 N -1.11 3.08 0.00 1.98 5.68 -0.74 -0.34 116.55 125.10 2vaq n ASP 288 Ca -0.04 -3.04 0.09 0.00 -0.50 0.00 0.00 54.79 51.30 2vaq n ASP 288 Cb 0.65 0.17 0.44 0.00 -1.14 0.00 0.00 41.12 41.24 2vaq n ASP 288 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2vaq n GLU 289 N -1.49 0.16 -0.53 0.11 0.28 -1.26 -1.60 120.64 116.31 2vaq n GLU 289 Ca -0.12 0.14 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 2vaq n GLU 289 Cb 0.63 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.31 2vaq n GLU 289 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2vaq n PHE 290 N -1.37 1.29 -2.82 -1.84 3.72 -1.26 -4.94 117.46 110.24 2vaq n PHE 290 Ca 0.07 -0.51 -0.19 0.00 -0.05 0.00 0.00 57.45 56.76 2vaq n PHE 290 Cb 0.17 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2vaq n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vaq n GLY 291 N 1.05 -0.36 3.68 1.37 0.00 -0.63 -5.00 105.19 105.30 2vaq n GLY 291 Ca 0.22 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2vaq n GLY 291 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vaq s ASN 292 N -2.66 6.23 0.00 1.61 0.02 -1.26 -4.79 114.94 114.10 2vaq s ASN 292 Ca 0.22 0.25 -0.30 0.00 -1.02 0.00 0.00 52.86 52.01 2vaq s ASN 292 Cb -0.10 -2.14 -0.06 0.00 0.02 0.00 0.00 41.25 38.97 2vaq s ASN 292 CO 0.27 0.05 1.51 -0.63 0.02 0.00 0.00 177.10 178.32 2vaq s ILE 293 N 0.97 3.54 -0.16 0.60 -1.09 -1.26 -1.79 121.20 122.00 2vaq s ILE 293 Ca 0.11 0.89 0.13 0.00 -2.23 0.00 0.00 60.65 59.55 2vaq s ILE 293 Cb -0.13 -3.57 -0.19 0.00 -1.58 0.00 0.00 42.46 36.98 2vaq s ILE 293 CO 0.04 -0.02 0.04 0.18 -1.23 0.00 0.00 174.94 173.95 2vaq n LEU 294 N 5.80 0.20 -3.61 2.97 4.77 0.16 -4.97 117.00 122.33 2vaq n LEU 294 Ca 0.15 -0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2vaq n LEU 294 Cb 0.43 0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 2vaq n LEU 294 CO 0.60 0.43 0.27 -0.70 -1.33 0.00 0.00 177.39 176.66 2vaq s GLU 295 N -2.39 0.92 -0.07 3.23 2.12 -1.08 -4.98 118.70 116.46 2vaq s GLU 295 Ca -0.09 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.25 2vaq s GLU 295 Cb 0.05 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.90 2vaq s GLU 295 CO 0.64 -0.29 0.04 0.08 -0.54 0.00 0.00 175.26 175.20 2vaq s VAL 296 N -1.42 0.09 -0.34 3.70 1.01 -1.26 -1.40 120.40 120.77 2vaq s VAL 296 Ca -0.11 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2vaq s VAL 296 Cb -0.02 -0.35 0.09 0.00 0.00 0.00 0.00 36.38 36.10 2vaq s VAL 296 CO 0.06 0.17 0.07 -0.63 0.00 0.00 0.00 175.10 174.77 2vaq s ILE 297 N 2.09 2.70 0.23 2.22 -1.09 0.66 -4.95 121.20 123.05 2vaq s ILE 297 Ca 0.05 -1.99 -0.32 0.00 -2.23 0.00 0.00 60.65 56.16 2vaq s ILE 297 Cb -0.13 -2.81 -0.14 0.00 -1.58 0.00 0.00 42.46 37.80 2vaq s ILE 297 CO -0.04 -0.46 1.35 -2.65 -1.23 0.00 0.00 174.94 171.91 2vaq n PRO 298 N 4.45 1.84 -2.35 2.79 -0.02 -1.26 -0.74 135.00 139.71 2vaq n PRO 298 Ca -0.03 0.66 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 2vaq n PRO 298 Cb 0.42 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2vaq n PRO 298 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2vaq s LEU 299 N 0.22 4.30 0.67 2.45 1.43 -0.75 -4.91 118.68 122.09 2vaq s LEU 299 Ca 0.69 2.33 -0.06 0.00 -1.03 0.00 0.00 54.13 56.06 2vaq s LEU 299 Cb -0.69 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 41.67 2vaq s LEU 299 CO 0.50 -0.51 0.98 -2.16 0.23 0.00 0.00 176.35 175.39 2vaq s PRO 300 N -2.06 2.42 0.74 1.29 0.05 -1.26 -4.35 135.00 131.83 2vaq s PRO 300 Ca 0.53 -0.18 -0.15 0.00 0.05 0.00 0.00 61.00 61.25 2vaq s PRO 300 Cb -0.31 -2.20 0.04 0.00 0.05 0.00 0.00 34.50 32.08 2vaq s PRO 300 CO 0.40 -1.08 1.25 -1.25 0.05 0.00 0.00 177.00 176.37 2vaq s PRO 301 N -5.17 2.04 -0.21 0.56 0.04 -1.26 -0.49 135.00 130.51 2vaq s PRO 301 Ca 0.58 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.59 2vaq s PRO 301 Cb -0.11 -1.80 0.44 0.00 0.04 0.00 0.00 34.50 33.07 2vaq s PRO 301 CO 0.45 -1.95 1.40 -0.35 0.04 0.00 0.00 177.00 176.58 2vaq n PRO 302 N -2.67 2.48 0.00 0.56 -0.04 -1.26 -4.86 135.00 129.21 2vaq n PRO 302 Ca 0.15 -1.81 0.10 0.00 -0.04 0.00 0.00 63.50 61.89 2vaq n PRO 302 Cb 0.49 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 2vaq n PRO 302 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2vaq n PHE 303 N -0.07 0.00 -1.61 0.54 3.72 0.36 -4.90 117.46 115.49 2vaq n PHE 303 Ca 0.26 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.19 2vaq n PHE 303 Cb 1.01 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.52 2vaq n PHE 303 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vaq n ALA 304 N -1.31 -0.14 -0.93 4.37 0.00 -1.07 -1.78 120.51 119.65 2vaq n ALA 304 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2vaq n ALA 304 Cb 0.33 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2vaq n ALA 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vaq n GLY 305 N 2.08 0.52 3.52 0.00 0.00 -1.23 -4.95 105.19 105.12 2vaq n GLY 305 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2vaq n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vaq s GLU 306 N -0.45 1.87 0.56 1.61 2.02 -0.74 -4.20 118.70 119.37 2vaq s GLU 306 Ca 0.00 -1.56 -0.20 0.00 0.02 0.00 0.00 54.97 53.23 2vaq s GLU 306 Cb 0.00 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 2vaq s GLU 306 CO 0.00 0.37 1.20 -1.01 0.02 0.00 0.00 175.26 175.84 2vaq s HIS 307 N -2.20 2.50 0.34 1.61 3.76 -1.26 -4.37 115.29 115.67 2vaq s HIS 307 Ca 0.28 1.51 0.04 0.00 -0.15 0.00 0.00 55.06 56.74 2vaq s HIS 307 Cb -0.06 -3.46 -0.03 0.00 1.11 0.00 0.00 32.58 30.13 2vaq s HIS 307 CO 0.15 -2.06 0.18 -0.59 -0.85 0.00 0.00 174.74 171.57 2vaq s PHE 308 N -1.59 1.68 -0.18 1.40 -0.00 -1.26 -4.72 117.98 113.31 2vaq s PHE 308 Ca 0.74 -1.41 -0.06 0.00 -0.00 0.00 0.00 56.93 56.20 2vaq s PHE 308 Cb -0.30 -0.90 -0.09 0.00 -0.00 0.00 0.00 43.02 41.73 2vaq s PHE 308 CO 0.33 -0.54 -0.20 0.39 -0.00 0.00 0.00 175.22 175.20 2vaq n GLU 309 N -0.68 0.39 -3.53 1.99 -0.58 -0.06 -4.79 120.64 113.38 2vaq n GLU 309 Ca 0.01 0.14 -0.14 0.00 -0.42 0.00 0.00 57.16 56.75 2vaq n GLU 309 Cb 0.64 -1.20 -0.05 0.00 -0.57 0.00 0.00 31.44 30.27 2vaq n GLU 309 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2vaq s GLN 310 N -2.33 1.10 -0.08 3.49 -2.07 -0.95 -1.36 119.66 117.46 2vaq s GLN 310 Ca -0.24 -0.19 0.02 0.00 -1.82 0.00 0.00 55.36 53.13 2vaq s GLN 310 Cb 0.08 0.51 0.01 0.00 -1.09 0.00 0.00 33.01 32.52 2vaq s GLN 310 CO 0.34 -0.41 -0.14 -1.50 -1.32 0.00 0.00 175.29 172.26 2vaq s ILE 311 N -2.51 1.33 -0.03 3.63 2.07 -1.26 -0.61 121.20 123.82 2vaq s ILE 311 Ca -0.05 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 2vaq s ILE 311 Cb -0.01 -1.21 0.03 0.00 0.13 0.00 0.00 42.46 41.40 2vaq s ILE 311 CO -0.02 0.40 -0.01 -1.58 -1.91 0.00 0.00 174.94 171.83 2vaq s GLN 312 N 0.78 0.39 -0.08 3.50 0.74 -0.14 -4.55 119.66 120.30 2vaq s GLN 312 Ca -0.12 0.05 -0.20 0.00 0.05 0.00 0.00 55.36 55.15 2vaq s GLN 312 Cb -0.16 -0.56 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 2vaq s GLN 312 CO 0.02 -0.14 0.54 -2.00 -0.55 0.00 0.00 175.29 173.17 2vaq s GLU 313 N 1.07 4.34 -0.13 1.67 2.12 -1.26 -0.53 118.70 125.98 2vaq s GLU 313 Ca -0.09 0.59 -0.10 0.00 0.36 0.00 0.00 54.97 55.73 2vaq s GLU 313 Cb -0.14 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.88 2vaq s GLU 313 CO -0.02 0.20 0.33 -1.58 -0.54 0.00 0.00 175.26 173.65 2vaq s HIS 314 N 0.43 -0.40 -1.57 5.30 2.46 0.15 -4.77 115.29 116.88 2vaq s HIS 314 Ca 0.29 0.93 -0.11 0.00 0.47 0.00 0.00 55.06 56.64 2vaq s HIS 314 Cb -0.16 0.13 0.11 0.00 -0.13 0.00 0.00 32.58 32.53 2vaq s HIS 314 CO 0.13 -0.21 0.28 -0.25 -2.47 0.00 0.00 174.74 172.22 2vaq n ASP 315 N 3.40 -0.44 -1.42 9.88 8.00 -1.26 -0.09 116.55 134.62 2vaq n ASP 315 Ca -0.17 -1.15 -0.15 0.00 0.71 0.00 0.00 54.79 54.03 2vaq n ASP 315 Cb 0.56 -1.45 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 2vaq n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vaq n GLY 316 N -1.71 0.65 3.28 0.44 0.00 -1.26 -5.01 105.19 101.58 2vaq n GLY 316 Ca -0.09 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 2vaq n GLY 316 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vaq s LEU 317 N -3.83 2.17 -0.36 0.99 1.43 0.87 -4.86 118.68 115.09 2vaq s LEU 317 Ca 0.00 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 2vaq s LEU 317 Cb 0.00 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.21 2vaq s LEU 317 CO 0.00 0.19 0.15 -0.76 0.23 0.00 0.00 176.35 176.16 2vaq s LEU 318 N -1.22 4.57 -0.04 1.79 1.43 -0.10 -0.68 118.68 124.43 2vaq s LEU 318 Ca 0.09 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.73 2vaq s LEU 318 Cb -0.09 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2vaq s LEU 318 CO 0.02 -0.39 0.64 -0.31 0.23 0.00 0.00 176.35 176.55 2vaq s TYR 319 N 1.41 3.62 -0.19 0.29 2.02 0.31 0.04 117.35 124.85 2vaq s TYR 319 Ca 0.00 1.20 -0.04 0.00 -0.37 0.00 0.00 57.07 57.86 2vaq s TYR 319 Cb -0.20 -2.71 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 2vaq s TYR 319 CO 0.03 0.20 -0.02 0.42 -1.57 0.00 0.00 175.55 174.60 2vaq s ILE 320 N 0.39 3.81 -0.18 2.71 1.09 0.24 -0.97 121.20 128.30 2vaq s ILE 320 Ca 0.34 -0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.45 2vaq s ILE 320 Cb -0.18 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.48 2vaq s ILE 320 CO 0.17 0.45 0.04 -0.83 -0.10 0.00 0.00 174.94 174.68 2vaq s GLY 321 N 0.83 1.87 0.10 6.18 0.00 0.22 -3.84 107.32 112.68 2vaq s GLY 321 Ca -0.00 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.99 2vaq s GLY 321 CO 0.02 0.03 -0.08 -1.08 0.00 0.00 0.00 173.10 171.99 2vaq s THR 322 N 0.35 0.79 -2.73 0.90 -1.32 -1.17 -0.88 115.64 111.58 2vaq s THR 322 Ca 0.02 -1.75 0.22 0.00 -1.21 0.00 0.00 61.69 58.97 2vaq s THR 322 Cb -0.13 -1.47 0.22 0.00 -1.51 0.00 0.00 72.50 69.62 2vaq s THR 322 CO 0.01 -0.71 1.24 0.18 -2.21 0.00 0.00 174.62 173.13 2vaq n LEU 323 N 0.30 2.98 -0.18 9.08 4.77 -1.26 -3.98 117.00 128.71 2vaq n LEU 323 Ca -0.14 -1.10 0.07 0.00 -0.03 0.00 0.00 56.01 54.80 2vaq n LEU 323 Cb 0.59 -0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 2vaq n LEU 323 CO 0.28 0.53 0.48 0.49 -1.33 0.00 0.00 177.39 177.84 2vaq n PHE 324 N 1.30 0.00 -4.12 -1.77 3.72 -1.26 -4.61 117.46 110.71 2vaq n PHE 324 Ca 0.14 -0.71 -0.09 0.00 -0.05 0.00 0.00 57.45 56.74 2vaq n PHE 324 Cb 0.57 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.89 2vaq n PHE 324 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2vaq s HIS 325 N -2.02 0.78 -0.45 1.38 3.76 -1.26 -5.01 115.29 112.47 2vaq s HIS 325 Ca 0.22 -1.17 0.15 0.00 -0.15 0.00 0.00 55.06 54.11 2vaq s HIS 325 Cb 0.19 -0.43 0.81 0.00 1.11 0.00 0.00 32.58 34.25 2vaq s HIS 325 CO 0.02 -0.52 1.73 0.41 -0.85 0.00 0.00 174.74 175.53 2vaq n GLY 326 N -0.08 2.95 3.10 -2.22 0.00 -1.26 -0.47 105.19 107.21 2vaq n GLY 326 Ca -0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2vaq n GLY 326 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vaq s SER 327 N -0.82 1.46 -0.04 1.61 0.01 -1.26 -1.62 113.70 113.03 2vaq s SER 327 Ca 0.54 -0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.17 2vaq s SER 327 Cb 0.40 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 2vaq s SER 327 CO 0.18 0.08 1.17 -0.69 0.41 0.00 0.00 173.24 174.39 2vaq s VAL 328 N -0.57 4.30 -0.21 3.43 1.01 0.10 -4.78 120.40 123.68 2vaq s VAL 328 Ca 0.03 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 2vaq s VAL 328 Cb -0.06 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2vaq s VAL 328 CO 0.00 0.02 0.05 -0.83 0.00 0.00 0.00 175.10 174.34 2vaq s GLY 329 N 1.38 1.80 0.02 4.51 0.00 -1.25 -0.38 107.32 113.40 2vaq s GLY 329 Ca 0.55 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 44.35 2vaq s GLY 329 CO 0.23 0.29 -0.08 -0.42 0.00 0.00 0.00 173.10 173.11 2vaq s ILE 330 N 1.02 3.53 0.10 0.90 1.01 -0.36 0.82 121.20 128.22 2vaq s ILE 330 Ca 0.03 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 59.92 2vaq s ILE 330 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2vaq s ILE 330 CO 0.03 0.37 -0.22 -0.76 0.00 0.00 0.00 174.94 174.35 2vaq s LEU 331 N -1.48 2.48 -0.03 2.97 1.43 0.11 -0.60 118.68 123.56 2vaq s LEU 331 Ca 0.17 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 2vaq s LEU 331 Cb -0.11 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2vaq s LEU 331 CO 0.08 0.20 -0.22 -0.69 0.23 0.00 0.00 176.35 175.94 2vaq s VAL 332 N -1.04 1.79 0.00 -1.59 1.01 -0.60 -0.92 120.40 119.04 2vaq s VAL 332 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2vaq s VAL 332 Cb -0.10 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2vaq s VAL 332 CO 0.07 0.51 0.17 0.00 0.00 0.00 0.00 175.10 175.84