#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vca s LYS 2 N 0.00 0.85 -0.08 -4.13 1.02 -0.08 -4.97 119.74 112.36 1vca s LYS 2 Ca 0.00 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1vca s LYS 2 Cb 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1vca s LYS 2 CO 0.00 0.20 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.10 1vca s ILE 3 N -1.06 4.04 -0.01 2.17 2.07 -1.26 -2.10 121.20 125.05 1vca s ILE 3 Ca -0.01 -0.35 -0.02 0.00 -1.41 0.00 0.00 60.65 58.86 1vca s ILE 3 Cb -0.09 -2.68 0.00 0.00 0.13 0.00 0.00 42.46 39.82 1vca s ILE 3 CO 0.02 0.60 0.05 -0.70 -1.91 0.00 0.00 174.94 173.00 1vca s GLU 4 N -0.84 0.15 0.07 3.50 2.12 0.64 -4.98 118.70 119.37 1vca s GLU 4 Ca 0.13 -0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.40 1vca s GLU 4 Cb -0.11 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 1vca s GLU 4 CO 0.02 -0.03 -0.12 0.95 -0.54 0.00 0.00 175.26 175.55 1vca s THR 5 N -0.39 0.92 -0.09 -1.70 -4.23 -1.26 0.69 115.64 109.58 1vca s THR 5 Ca -0.04 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1vca s THR 5 Cb -0.03 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.86 1vca s THR 5 CO 0.00 -0.32 -0.11 0.42 -0.54 0.00 0.00 174.62 174.08 1vca s THR 6 N -1.46 1.14 1.03 3.99 -4.23 -0.59 -3.88 115.64 111.65 1vca s THR 6 Ca -0.03 -0.43 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 1vca s THR 6 Cb -0.09 -1.09 0.20 0.00 1.34 0.00 0.00 72.50 72.86 1vca s THR 6 CO 0.01 0.37 1.11 -2.16 -0.54 0.00 0.00 174.62 173.41 1vca s PRO 7 N 1.14 0.20 0.13 3.99 0.04 -1.26 -1.92 135.00 137.32 1vca s PRO 7 Ca -0.05 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.15 1vca s PRO 7 Cb -0.14 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1vca s PRO 7 CO -0.02 -2.85 1.75 1.49 0.04 0.00 0.00 177.00 177.41 1vca h GLU 8 N -1.97 0.20 0.00 4.56 4.57 -1.98 -3.42 114.58 116.54 1vca h GLU 8 Ca -0.53 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1vca h GLU 8 Cb 1.33 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1vca h GLU 8 CO 0.54 0.13 0.00 -1.13 -1.18 0.00 0.00 179.01 177.38 1vca n SER 9 N -5.02 0.00 -3.59 1.04 3.41 -1.26 -4.88 113.62 103.32 1vca n SER 9 Ca -0.02 -0.59 -0.16 0.00 -0.26 0.00 0.00 58.87 57.85 1vca n SER 9 Cb 0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1vca n SER 9 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1vca s ARG 10 N 0.00 0.92 -0.06 4.33 3.52 -1.26 -1.79 118.95 124.61 1vca s ARG 10 Ca 0.00 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1vca s ARG 10 Cb 0.00 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 1vca s ARG 10 CO 0.00 -0.19 -0.06 -0.47 -0.81 0.00 0.00 175.30 173.77 1vca s TYR 11 N -0.24 0.97 -0.43 5.12 6.14 -0.65 -4.77 117.35 123.49 1vca s TYR 11 Ca -0.04 -0.33 -0.17 0.00 0.64 0.00 0.00 57.07 57.17 1vca s TYR 11 Cb -0.03 -0.82 0.03 0.00 0.42 0.00 0.00 41.96 41.56 1vca s TYR 11 CO 0.04 -0.25 0.42 -1.17 0.64 0.00 0.00 175.55 175.24 1vca s LEU 12 N 0.99 5.04 -0.11 6.97 0.20 -1.26 -1.00 118.68 129.51 1vca s LEU 12 Ca -0.10 -0.84 -0.02 0.00 0.69 0.00 0.00 54.13 53.86 1vca s LEU 12 Cb -0.14 -2.31 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1vca s LEU 12 CO -0.00 -0.59 -0.03 0.00 -0.29 0.00 0.00 176.35 175.43 1vca s ALA 13 N 2.01 3.07 -0.10 5.97 0.00 0.12 -4.98 121.76 127.85 1vca s ALA 13 Ca 0.10 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 1vca s ALA 13 Cb -0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1vca s ALA 13 CO 0.12 0.40 0.55 -1.14 0.00 0.00 0.00 175.76 175.69 1vca s GLN 14 N -0.27 4.37 0.20 0.00 0.74 -1.26 -2.40 119.66 121.04 1vca s GLN 14 Ca 0.05 0.59 -0.32 0.00 0.05 0.00 0.00 55.36 55.72 1vca s GLN 14 Cb -0.13 -3.44 -0.14 0.00 1.10 0.00 0.00 33.01 30.41 1vca s GLN 14 CO 0.02 0.14 1.40 -0.89 -0.55 0.00 0.00 175.29 175.41 1vca n ILE 15 N 3.67 0.67 0.00 -2.34 5.41 0.00 -1.56 119.36 125.21 1vca n ILE 15 Ca -0.05 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1vca n ILE 15 Cb 0.51 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 38.10 1vca n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vca n GLY 16 N 2.43 2.85 3.92 7.39 0.00 -0.23 -4.92 105.19 116.64 1vca n GLY 16 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1vca n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vca s ASP 17 N -1.38 4.21 -0.29 1.61 1.01 -0.60 -4.60 116.67 116.64 1vca s ASP 17 Ca 0.00 0.54 -0.06 0.00 0.71 0.00 0.00 52.55 53.73 1vca s ASP 17 Cb 0.00 -0.94 0.01 0.00 1.01 0.00 0.00 42.92 43.00 1vca s ASP 17 CO 0.00 -2.05 0.07 -0.55 0.21 0.00 0.00 175.17 172.85 1vca s SER 18 N -4.65 5.05 0.03 0.27 0.15 -1.26 -0.58 113.70 112.70 1vca s SER 18 Ca 0.65 -0.74 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1vca s SER 18 Cb -0.09 -1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 1vca s SER 18 CO 0.49 -0.19 -0.18 -0.69 1.20 0.00 0.00 173.24 173.87 1vca s VAL 19 N 1.48 1.41 -0.02 4.45 1.01 -0.82 -5.01 120.40 122.90 1vca s VAL 19 Ca 0.02 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1vca s VAL 19 Cb -0.17 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1vca s VAL 19 CO 0.02 0.20 -0.19 -0.44 0.00 0.00 0.00 175.10 174.68 1vca s SER 20 N -0.94 2.23 -0.03 3.32 0.01 -1.26 -0.80 113.70 116.23 1vca s SER 20 Ca 0.05 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.01 1vca s SER 20 Cb -0.08 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1vca s SER 20 CO 0.01 0.23 -0.15 -0.76 0.41 0.00 0.00 173.24 172.98 1vca s LEU 21 N -0.42 2.73 0.00 2.44 1.02 -0.25 -4.84 118.68 119.35 1vca s LEU 21 Ca 0.07 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.04 1vca s LEU 21 Cb -0.08 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.56 1vca s LEU 21 CO -0.01 0.33 -0.15 0.42 0.02 0.00 0.00 176.35 176.96 1vca s THR 22 N -0.77 1.19 -0.07 5.49 -4.23 -0.81 -1.05 115.64 115.40 1vca s THR 22 Ca 0.12 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 1vca s THR 22 Cb -0.11 -1.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 1vca s THR 22 CO 0.01 0.26 -0.23 0.00 -0.54 0.00 0.00 174.62 174.12 1vca s SER 24 N 0.04 0.52 0.10 0.00 0.01 0.22 -0.81 113.70 113.77 1vca s SER 24 Ca -0.08 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.08 1vca s SER 24 Cb -0.14 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1vca s SER 24 CO 0.05 -0.66 -0.08 0.42 0.41 0.00 0.00 173.24 173.38 1vca s THR 25 N -3.94 0.79 0.09 1.44 -4.23 -1.07 -0.26 115.64 108.46 1vca s THR 25 Ca 0.18 -1.78 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1vca s THR 25 Cb 0.07 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1vca s THR 25 CO -0.02 -0.73 -0.12 0.42 -0.54 0.00 0.00 174.62 173.63 1vca s THR 26 N -3.04 1.08 -0.03 3.99 -4.23 -0.89 -4.85 115.64 107.67 1vca s THR 26 Ca 0.08 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1vca s THR 26 Cb 0.01 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1vca s THR 26 CO -0.02 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1vca n GLY 27 N 0.88 0.47 2.91 3.99 0.00 -1.26 -0.90 105.19 111.28 1vca n GLY 27 Ca -0.18 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1vca n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vca h GLU 29 N 7.34 0.22 -2.28 0.00 4.81 -2.00 -3.40 114.58 119.28 1vca h GLU 29 Ca -0.34 -0.09 -0.58 0.00 -0.13 0.00 0.00 59.36 58.22 1vca h GLU 29 Cb 1.16 -0.01 -0.39 0.00 0.63 0.00 0.00 28.75 30.14 1vca h GLU 29 CO 0.44 0.56 -0.98 0.43 -0.73 0.00 0.00 179.01 178.73 1vca n SER 30 N -4.72 0.09 -4.82 1.04 7.64 -1.26 -4.98 113.62 106.60 1vca n SER 30 Ca -0.06 -2.56 -0.33 0.00 1.01 0.00 0.00 58.87 56.93 1vca n SER 30 Cb 0.27 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 1vca n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vca s PRO 31 N -0.52 3.76 -0.07 1.43 0.04 -1.26 -4.75 135.00 133.63 1vca s PRO 31 Ca 0.33 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1vca s PRO 31 Cb 0.08 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1vca s PRO 31 CO -0.16 -0.44 -0.14 0.12 0.04 0.00 0.00 177.00 176.42 1vca s PHE 32 N -2.48 2.72 0.03 0.56 5.36 -0.37 -4.95 117.98 118.84 1vca s PHE 32 Ca 0.61 -0.26 0.06 0.00 -0.96 0.00 0.00 56.93 56.38 1vca s PHE 32 Cb -0.12 -1.67 -0.03 0.00 -0.34 0.00 0.00 43.02 40.85 1vca s PHE 32 CO 0.31 0.10 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.96 1vca s PHE 33 N -0.51 2.65 -0.02 10.12 0.08 -1.26 -0.99 117.98 128.05 1vca s PHE 33 Ca 0.07 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 1vca s PHE 33 Cb -0.12 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1vca s PHE 33 CO 0.02 0.28 0.06 0.45 -0.10 0.00 0.00 175.22 175.92 1vca s SER 34 N -1.41 -0.04 0.08 1.36 0.15 -0.72 -5.00 113.70 108.11 1vca s SER 34 Ca 0.15 0.11 0.10 0.00 0.70 0.00 0.00 55.95 57.01 1vca s SER 34 Cb -0.11 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1vca s SER 34 CO 0.06 -0.04 -0.25 0.26 1.20 0.00 0.00 173.24 174.47 1vca s TRP 35 N 0.24 2.37 0.17 3.44 0.52 -1.26 -0.50 118.94 123.92 1vca s TRP 35 Ca -0.02 -0.37 -0.17 0.00 0.02 0.00 0.00 56.10 55.56 1vca s TRP 35 Cb -0.03 -1.35 0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1vca s TRP 35 CO -0.01 0.23 0.49 -0.98 0.02 0.00 0.00 176.95 176.71 1vca s ARG 36 N -1.61 1.28 0.33 4.98 1.70 -0.71 -4.98 118.95 119.94 1vca s ARG 36 Ca 0.13 -0.80 0.07 0.00 -0.47 0.00 0.00 55.73 54.66 1vca s ARG 36 Cb -0.10 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1vca s ARG 36 CO 0.04 -0.53 0.42 0.95 -1.08 0.00 0.00 175.30 175.10 1vca s THR 37 N -3.85 4.00 0.64 4.99 -4.23 -1.26 0.34 115.64 116.27 1vca s THR 37 Ca 0.07 -1.09 0.39 0.00 -1.18 0.00 0.00 61.69 59.88 1vca s THR 37 Cb -0.00 -3.37 0.41 0.00 1.34 0.00 0.00 72.50 70.87 1vca s THR 37 CO -0.06 -0.17 2.31 1.56 -0.54 0.00 0.00 174.62 177.72 1vca h GLN 38 N 0.99 0.00 -0.27 3.99 4.20 -1.88 -2.49 115.11 119.65 1vca h GLN 38 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1vca h GLN 38 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1vca h GLN 38 CO 0.54 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 179.14 1vca n ILE 39 N -3.36 1.65 -3.83 2.54 -5.35 -1.26 -5.01 119.36 104.75 1vca n ILE 39 Ca -0.03 -1.48 -0.28 0.00 -0.27 0.00 0.00 62.75 60.69 1vca n ILE 39 Cb 0.10 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.11 1vca n ILE 39 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1vca n ASP 40 N -0.13 -2.41 -4.86 7.28 8.00 -0.94 -5.00 116.55 118.48 1vca n ASP 40 Ca 0.16 -1.00 -0.25 0.00 0.71 0.00 0.00 54.79 54.40 1vca n ASP 40 Cb 0.65 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.49 1vca n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1vca s SER 41 N -4.00 4.66 0.84 -2.24 1.04 -1.26 -5.00 113.70 107.73 1vca s SER 41 Ca 0.20 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.38 1vca s SER 41 Cb -0.07 0.03 0.08 0.00 0.10 0.00 0.00 66.02 66.16 1vca s SER 41 CO 0.87 -0.89 1.04 -0.81 0.98 0.00 0.00 173.24 174.44 1vca n PRO 42 N -1.60 0.03 0.07 4.02 -0.04 -1.26 -4.58 135.00 131.64 1vca n PRO 42 Ca -0.01 0.08 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1vca n PRO 42 Cb 0.64 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.72 1vca n PRO 42 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vca h LEU 43 N -1.11 0.00 -1.75 1.53 3.38 -1.96 -3.47 115.31 111.93 1vca h LEU 43 Ca -0.45 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.15 1vca h LEU 43 Cb 1.30 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.16 1vca h LEU 43 CO 0.43 0.79 -0.80 0.59 0.09 0.00 0.00 178.44 179.54 1vca n ASN 44 N -3.21 -1.76 -3.65 -0.43 3.02 -1.26 -4.81 115.26 103.16 1vca n ASN 44 Ca -0.03 -0.72 -0.05 0.00 -0.03 0.00 0.00 54.58 53.74 1vca n ASN 44 Cb 0.88 -4.60 -0.02 0.00 -0.61 0.00 0.00 39.78 35.43 1vca n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1vca s GLY 45 N -4.33 -0.33 -0.16 7.41 0.00 -1.26 -4.68 107.32 103.96 1vca s GLY 45 Ca 0.02 0.48 -0.05 0.00 0.00 0.00 0.00 44.72 45.17 1vca s GLY 45 CO 0.77 0.13 -0.01 1.25 0.00 0.00 0.00 173.10 175.24 1vca s LYS 46 N -3.22 3.73 -0.20 2.90 2.20 0.34 -4.92 119.74 120.58 1vca s LYS 46 Ca 0.09 -0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 1vca s LYS 46 Cb -0.01 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1vca s LYS 46 CO -0.02 0.23 0.10 0.08 -0.36 0.00 0.00 175.35 175.37 1vca s VAL 47 N 0.42 5.06 -0.17 4.02 1.01 -1.26 -1.18 120.40 128.31 1vca s VAL 47 Ca -0.02 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1vca s VAL 47 Cb -0.14 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1vca s VAL 47 CO 0.02 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 1vca s THR 48 N 0.47 1.66 -0.25 3.92 2.01 0.07 -4.98 115.64 118.54 1vca s THR 48 Ca 0.05 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 1vca s THR 48 Cb -0.12 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1vca s THR 48 CO -0.00 0.35 0.21 0.20 -0.69 0.00 0.00 174.62 174.68 1vca s ASN 49 N 1.42 6.12 -0.10 3.53 0.02 -1.26 -0.98 114.94 123.69 1vca s ASN 49 Ca 0.02 0.12 -0.05 0.00 -1.02 0.00 0.00 52.86 51.93 1vca s ASN 49 Cb -0.14 -2.13 0.04 0.00 0.02 0.00 0.00 41.25 39.04 1vca s ASN 49 CO -0.10 -0.01 0.22 -0.70 0.02 0.00 0.00 177.10 176.54 1vca s GLU 50 N 1.41 0.18 7.17 -0.60 2.12 -0.34 -5.02 118.70 123.63 1vca s GLU 50 Ca 0.09 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.91 1vca s GLU 50 Cb -0.15 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.12 1vca s GLU 50 CO 0.07 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1vca n GLY 51 N 4.19 4.13 1.53 -1.50 0.00 -1.26 -1.36 105.19 110.91 1vca n GLY 51 Ca -0.25 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1vca n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vca n THR 52 N 0.00 2.77 -3.94 2.61 -2.24 -1.26 -4.68 114.28 107.55 1vca n THR 52 Ca 0.00 -2.47 -0.10 0.00 -2.27 0.00 0.00 64.05 59.22 1vca n THR 52 Cb 0.00 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1vca n THR 52 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vca s THR 53 N -3.26 0.12 -0.05 4.28 -1.32 -0.46 -2.61 115.64 112.33 1vca s THR 53 Ca 0.49 -0.96 0.02 0.00 -1.21 0.00 0.00 61.69 60.02 1vca s THR 53 Cb 0.43 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.83 1vca s THR 53 CO 0.04 -0.53 -0.09 -0.55 -2.21 0.00 0.00 174.62 171.28 1vca s SER 54 N -1.76 1.38 -0.11 8.08 0.15 0.01 -1.20 113.70 120.25 1vca s SER 54 Ca -0.10 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.33 1vca s SER 54 Cb -0.05 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.60 1vca s SER 54 CO -0.02 -0.00 -0.15 -0.89 1.20 0.00 0.00 173.24 173.38 1vca s THR 55 N 0.75 2.94 -0.36 6.45 2.01 -0.15 -1.21 115.64 126.06 1vca s THR 55 Ca -0.13 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.12 1vca s THR 55 Cb -0.15 -2.21 0.08 0.00 0.01 0.00 0.00 72.50 70.23 1vca s THR 55 CO 0.02 0.54 0.13 -0.22 -0.69 0.00 0.00 174.62 174.40 1vca s LEU 56 N 0.17 4.66 -0.23 4.42 2.96 -0.21 -0.75 118.68 129.69 1vca s LEU 56 Ca -0.08 -1.61 -0.09 0.00 -0.22 0.00 0.00 54.13 52.13 1vca s LEU 56 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1vca s LEU 56 CO 0.05 -0.42 0.13 -0.89 -1.32 0.00 0.00 176.35 173.90 1vca s THR 57 N 1.24 5.03 -0.36 3.68 2.01 -0.32 -1.09 115.64 125.83 1vca s THR 57 Ca 0.02 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 1vca s THR 57 Cb -0.21 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 68.99 1vca s THR 57 CO -0.02 0.36 0.16 -0.04 -0.69 0.00 0.00 174.62 174.39 1vca s MET 58 N 1.11 2.72 -0.22 4.92 -1.94 0.02 -0.50 119.30 125.41 1vca s MET 58 Ca 0.06 -1.13 -0.04 0.00 -1.71 0.00 0.00 55.69 52.87 1vca s MET 58 Cb -0.14 -3.61 0.09 0.00 2.01 0.00 0.00 34.83 33.18 1vca s MET 58 CO 0.04 -0.69 0.20 1.21 -0.01 0.00 0.00 175.02 175.77 1vca s ASN 59 N 1.48 1.87 0.34 3.03 3.04 -1.26 -1.95 114.94 121.50 1vca s ASN 59 Ca 0.00 -0.51 -0.01 0.00 0.04 0.00 0.00 52.86 52.38 1vca s ASN 59 Cb -0.19 0.19 -0.04 0.00 -1.54 0.00 0.00 41.25 39.67 1vca s ASN 59 CO 0.05 -0.35 0.57 -2.16 -3.04 0.00 0.00 177.10 172.16 1vca s PRO 60 N 2.27 3.52 0.33 0.43 0.04 -1.26 -5.08 135.00 135.25 1vca s PRO 60 Ca 0.07 -0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.61 1vca s PRO 60 Cb -0.16 -2.64 -0.12 0.00 0.04 0.00 0.00 34.50 31.63 1vca s PRO 60 CO -0.18 0.13 1.51 0.28 0.04 0.00 0.00 177.00 178.79 1vca n VAL 61 N -1.61 1.50 -4.25 -0.36 0.31 0.25 -4.77 118.33 109.40 1vca n VAL 61 Ca -0.04 -0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 63.76 1vca n VAL 61 Cb 0.55 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 1vca n VAL 61 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vca n SER 62 N 1.35 -0.20 0.29 4.52 3.41 -1.26 -1.06 113.62 120.66 1vca n SER 62 Ca 0.05 -2.66 0.17 0.00 -0.26 0.00 0.00 58.87 56.18 1vca n SER 62 Cb 0.37 1.17 0.84 0.00 -0.26 0.00 0.00 64.21 66.34 1vca n SER 62 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1vca h PHE 63 N 1.75 0.00 0.00 7.33 0.04 -1.98 -2.59 116.94 121.49 1vca h PHE 63 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1vca h PHE 63 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1vca h PHE 63 CO 0.00 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1vca n GLY 64 N -0.52 -0.59 0.74 -1.45 0.00 -1.26 -2.90 105.19 99.21 1vca n GLY 64 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1vca n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vca n ASN 65 N -0.85 2.95 -4.52 1.61 4.13 -0.97 -4.72 115.26 112.89 1vca n ASN 65 Ca 0.10 -1.92 -0.43 0.00 1.68 0.00 0.00 54.58 54.01 1vca n ASN 65 Cb 0.04 -0.23 -0.01 0.00 -1.54 0.00 0.00 39.78 38.04 1vca n ASN 65 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1vca s GLU 66 N -1.03 3.83 0.15 3.52 2.12 -1.14 -4.74 118.70 121.41 1vca s GLU 66 Ca 0.26 -1.87 -0.10 0.00 0.36 0.00 0.00 54.97 53.62 1vca s GLU 66 Cb 0.14 -5.25 -0.00 0.00 0.26 0.00 0.00 34.13 29.28 1vca s GLU 66 CO 0.19 -2.03 0.29 -1.01 -0.54 0.00 0.00 175.26 172.16 1vca s HIS 67 N 3.45 0.30 -0.38 5.30 3.76 -1.22 -5.02 115.29 121.48 1vca s HIS 67 Ca 0.45 -0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 54.50 1vca s HIS 67 Cb -0.00 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.68 1vca s HIS 67 CO -0.02 -0.71 0.52 0.45 -0.85 0.00 0.00 174.74 174.13 1vca s SER 68 N -2.94 6.29 0.01 1.40 0.15 -1.26 -1.10 113.70 116.25 1vca s SER 68 Ca 0.14 -0.22 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 1vca s SER 68 Cb 0.03 -2.27 -0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1vca s SER 68 CO -0.02 -0.56 0.44 -0.31 1.20 0.00 0.00 173.24 173.99 1vca s TYR 69 N 2.42 3.73 -0.14 3.44 1.51 0.11 -2.52 117.35 125.90 1vca s TYR 69 Ca 0.18 1.04 0.02 0.00 -1.01 0.00 0.00 57.07 57.31 1vca s TYR 69 Cb -0.15 -2.35 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 1vca s TYR 69 CO 0.14 0.60 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.47 1vca s LEU 70 N -0.98 2.15 -0.18 -1.29 1.43 0.15 -0.39 118.68 119.58 1vca s LEU 70 Ca 0.25 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1vca s LEU 70 Cb -0.17 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1vca s LEU 70 CO 0.14 0.08 0.12 0.00 0.23 0.00 0.00 176.35 176.92 1vca s THR 72 N 0.05 2.51 -0.18 0.00 2.01 0.34 -1.40 115.64 118.97 1vca s THR 72 Ca 0.09 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 1vca s THR 72 Cb -0.11 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1vca s THR 72 CO -0.00 0.51 0.04 0.00 -0.69 0.00 0.00 174.62 174.47 1vca s ALA 73 N 1.20 3.30 -0.20 7.40 0.00 0.97 -1.76 121.76 132.67 1vca s ALA 73 Ca 0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.16 1vca s ALA 73 Cb -0.14 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1vca s ALA 73 CO -0.07 0.17 -0.01 0.99 0.00 0.00 0.00 175.76 176.84 1vca s THR 74 N 0.40 3.87 -0.32 0.00 2.01 -0.16 -1.44 115.64 120.00 1vca s THR 74 Ca 0.01 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1vca s THR 74 Cb -0.13 -2.74 0.10 0.00 0.01 0.00 0.00 72.50 69.73 1vca s THR 74 CO 0.01 0.43 0.06 0.00 -0.69 0.00 0.00 174.62 174.43 1vca n GLU 76 N 4.51 0.00 -0.17 0.00 1.02 -1.26 -1.29 120.64 123.44 1vca n GLU 76 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1vca n GLU 76 Cb 0.42 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.03 1vca n GLU 76 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1vca n SER 77 N 10.24 3.15 -4.89 1.62 3.41 -1.26 -4.96 113.62 120.94 1vca n SER 77 Ca 0.00 -1.91 -0.32 0.00 -0.26 0.00 0.00 58.87 56.38 1vca n SER 77 Cb 0.00 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.67 1vca n SER 77 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1vca s ARG 78 N -1.24 3.64 -0.03 4.33 0.52 -0.41 -5.10 118.95 120.67 1vca s ARG 78 Ca 0.32 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 1vca s ARG 78 Cb 0.18 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.79 1vca s ARG 78 CO 0.25 0.50 -0.00 0.15 0.02 0.00 0.00 175.30 176.22 1vca s LYS 79 N -2.46 0.30 0.09 3.54 1.02 -1.26 -0.60 119.74 120.38 1vca s LYS 79 Ca 0.39 0.05 0.09 0.00 0.02 0.00 0.00 55.97 56.52 1vca s LYS 79 Cb -0.12 -0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1vca s LYS 79 CO 0.23 -0.11 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.80 1vca s LEU 80 N 0.89 2.27 0.02 3.17 1.43 -0.52 -4.98 118.68 120.95 1vca s LEU 80 Ca -0.09 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1vca s LEU 80 Cb -0.12 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 1vca s LEU 80 CO -0.02 0.14 -0.04 -1.83 0.23 0.00 0.00 176.35 174.83 1vca s GLU 81 N -1.75 0.31 -0.08 1.70 -1.05 -1.26 -0.02 118.70 116.55 1vca s GLU 81 Ca 0.10 -0.49 -0.06 0.00 -0.15 0.00 0.00 54.97 54.36 1vca s GLU 81 Cb -0.10 -0.06 0.03 0.00 -0.44 0.00 0.00 34.13 33.57 1vca s GLU 81 CO 0.04 -0.00 0.21 0.21 0.95 0.00 0.00 175.26 176.67 1vca s LYS 82 N -1.09 0.22 0.04 -4.83 2.20 -0.49 -4.99 119.74 110.79 1vca s LYS 82 Ca -0.10 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 1vca s LYS 82 Cb -0.07 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1vca s LYS 82 CO -0.00 -0.08 -0.00 0.20 -0.36 0.00 0.00 175.35 175.10 1vca s GLY 83 N 0.54 1.89 -0.12 5.54 0.00 -1.26 -1.06 107.32 112.84 1vca s GLY 83 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1vca s GLY 83 CO -0.03 -0.94 -0.17 -0.42 0.00 0.00 0.00 173.10 171.54 1vca s ILE 84 N -1.18 1.69 -0.28 0.90 1.01 0.48 -4.70 121.20 119.12 1vca s ILE 84 Ca 0.22 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 1vca s ILE 84 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 1vca s ILE 84 CO 0.14 0.48 0.61 -1.58 0.00 0.00 0.00 174.94 174.58 1vca s GLN 85 N 1.00 4.01 -0.30 2.79 0.74 -0.74 0.05 119.66 127.21 1vca s GLN 85 Ca -0.05 0.40 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 1vca s GLN 85 Cb -0.15 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1vca s GLN 85 CO -0.03 -0.47 0.28 0.08 -0.55 0.00 0.00 175.29 174.60 1vca s VAL 86 N 2.52 5.25 -0.14 1.34 1.01 -0.26 -1.63 120.40 128.49 1vca s VAL 86 Ca 0.25 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1vca s VAL 86 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1vca s VAL 86 CO 0.10 0.10 -0.02 -1.61 0.00 0.00 0.00 175.10 173.68 1vca s GLU 87 N 1.87 3.48 0.21 2.72 2.02 -0.17 -3.46 118.70 125.37 1vca s GLU 87 Ca 0.10 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.69 1vca s GLU 87 Cb -0.16 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1vca s GLU 87 CO 0.11 0.39 0.06 0.96 0.02 0.00 0.00 175.26 176.80 1vca s ILE 88 N -0.03 3.91 0.20 -1.63 -4.36 -1.26 0.11 121.20 118.14 1vca s ILE 88 Ca 0.02 -1.48 -0.23 0.00 -0.26 0.00 0.00 60.65 58.70 1vca s ILE 88 Cb -0.13 -3.03 0.05 0.00 1.25 0.00 0.00 42.46 40.60 1vca s ILE 88 CO 0.02 -0.21 0.87 -0.72 0.24 0.00 0.00 174.94 175.13 1vca s TYR 89 N -1.94 -0.15 -0.08 1.37 1.13 -1.01 -4.76 117.35 111.91 1vca s TYR 89 Ca 0.30 -0.22 -0.04 0.00 -1.41 0.00 0.00 57.07 55.70 1vca s TYR 89 Cb -0.08 0.67 0.05 0.00 -1.10 0.00 0.00 41.96 41.49 1vca s TYR 89 CO 0.21 -0.99 0.18 0.45 -2.51 0.00 0.00 175.55 172.88 1vca s SER 90 N -2.94 0.20 -0.45 -0.18 0.15 0.89 -0.82 113.70 110.55 1vca s SER 90 Ca 0.12 0.37 0.06 0.00 0.70 0.00 0.00 55.95 57.21 1vca s SER 90 Cb -0.03 0.30 0.33 0.00 -1.71 0.00 0.00 66.02 64.91 1vca s SER 90 CO 0.04 -0.19 1.16 0.33 1.20 0.00 0.00 173.24 175.78 1vca n PHE 91 N 4.70 -2.69 0.17 3.44 7.35 -1.26 -1.46 117.46 127.72 1vca n PHE 91 Ca -0.17 -2.02 0.06 0.00 -0.76 0.00 0.00 57.45 54.56 1vca n PHE 91 Cb 0.51 1.61 0.18 0.00 0.35 0.00 0.00 39.48 42.13 1vca n PHE 91 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1vca h PRO 92 N 2.84 0.00 -5.26 -7.13 0.13 -1.82 -3.47 132.00 117.29 1vca h PRO 92 Ca -0.13 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.61 1vca h PRO 92 Cb 1.13 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 1vca h PRO 92 CO 0.10 0.36 -0.76 -1.59 -0.23 0.00 0.00 178.00 175.87 1vca s LYS 93 N -3.22 0.85 0.74 0.86 -2.85 -1.26 -5.14 119.74 109.72 1vca s LYS 93 Ca 0.03 -1.04 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 1vca s LYS 93 Cb 0.08 -0.77 0.04 0.00 -2.06 0.00 0.00 37.83 35.13 1vca s LYS 93 CO 0.70 0.16 1.13 -0.51 0.10 0.00 0.00 175.35 176.93 1vca s ASP 94 N -2.00 4.44 0.85 0.03 1.01 -1.26 -4.74 116.67 115.00 1vca s ASP 94 Ca 0.01 2.06 -0.11 0.00 0.71 0.00 0.00 52.55 55.22 1vca s ASP 94 Cb -0.08 -2.55 0.11 0.00 1.01 0.00 0.00 42.92 41.41 1vca s ASP 94 CO 0.02 -2.09 1.15 -2.84 0.21 0.00 0.00 175.17 171.62 1vca s PRO 95 N -4.35 1.49 -0.10 8.23 0.02 -1.26 -4.79 135.00 134.24 1vca s PRO 95 Ca 0.67 1.51 0.03 0.00 0.02 0.00 0.00 61.00 63.23 1vca s PRO 95 Cb -0.22 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1vca s PRO 95 CO 0.48 -2.27 -0.19 -1.21 -0.33 0.00 0.00 177.00 173.48 1vca s GLU 96 N -4.57 3.05 -0.25 5.54 2.02 -0.14 -4.64 118.70 119.71 1vca s GLU 96 Ca 0.67 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.76 1vca s GLU 96 Cb -0.23 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1vca s GLU 96 CO 0.55 0.26 0.16 0.42 0.02 0.00 0.00 175.26 176.68 1vca s ILE 97 N 0.17 5.31 -0.10 -1.63 1.01 -1.26 -2.05 121.20 122.64 1vca s ILE 97 Ca -0.11 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1vca s ILE 97 Cb -0.16 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1vca s ILE 97 CO 0.06 0.32 -0.11 -1.00 0.00 0.00 0.00 174.94 174.21 1vca s HIS 98 N 1.24 2.82 0.04 3.97 3.76 0.75 -4.99 115.29 122.89 1vca s HIS 98 Ca 0.07 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.70 1vca s HIS 98 Cb -0.14 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1vca s HIS 98 CO 0.06 -0.00 -0.26 -0.51 -0.85 0.00 0.00 174.74 173.18 1vca s LEU 99 N -0.12 2.16 0.31 0.89 1.43 -1.26 -0.75 118.68 121.34 1vca s LEU 99 Ca -0.01 -0.57 0.26 0.00 -1.03 0.00 0.00 54.13 52.78 1vca s LEU 99 Cb -0.14 -1.25 0.98 0.00 0.03 0.00 0.00 46.19 45.81 1vca s LEU 99 CO 0.03 0.25 1.77 0.77 0.23 0.00 0.00 176.35 179.40 1vca h SER 100 N 4.86 0.00 0.00 2.29 4.64 -1.63 -3.48 113.55 120.24 1vca h SER 100 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1vca h SER 100 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1vca h SER 100 CO 0.44 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1vca n GLY 101 N 0.33 -1.38 3.76 -0.77 0.00 -1.26 -4.99 105.19 100.88 1vca n GLY 101 Ca 0.03 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1vca n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vca s PRO 102 N -0.96 2.88 -0.20 1.61 0.04 -1.26 -4.94 135.00 132.17 1vca s PRO 102 Ca 0.00 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1vca s PRO 102 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1vca s PRO 102 CO 0.00 -1.22 1.14 -0.51 0.04 0.00 0.00 177.00 176.45 1vca s LEU 103 N -4.49 4.14 -0.13 -3.56 1.02 -1.26 -5.00 118.68 109.40 1vca s LEU 103 Ca 0.71 1.52 0.02 0.00 0.02 0.00 0.00 54.13 56.41 1vca s LEU 103 Cb -0.24 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.44 1vca s LEU 103 CO 0.37 -0.71 -0.21 -1.61 0.02 0.00 0.00 176.35 174.21 1vca s GLU 104 N 3.30 2.90 0.10 1.70 2.02 -1.26 -0.92 118.70 126.55 1vca s GLU 104 Ca 0.49 -0.81 -0.34 0.00 0.02 0.00 0.00 54.97 54.32 1vca s GLU 104 Cb -0.18 -2.35 -0.14 0.00 0.10 0.00 0.00 34.13 31.56 1vca s GLU 104 CO 0.10 -0.01 1.61 0.00 0.02 0.00 0.00 175.26 176.97 1vca n ALA 105 N 4.07 1.01 -0.03 5.21 0.00 -0.50 -1.58 120.51 128.69 1vca n ALA 105 Ca -0.20 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1vca n ALA 105 Cb 0.52 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1vca n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vca n GLY 106 N 3.51 2.13 3.61 0.00 0.00 -0.82 -4.71 105.19 108.91 1vca n GLY 106 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1vca n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vca s LYS 107 N -0.27 2.75 0.37 1.61 1.02 -0.62 -4.98 119.74 119.62 1vca s LYS 107 Ca 0.00 -0.57 -0.28 0.00 0.02 0.00 0.00 55.97 55.14 1vca s LYS 107 Cb 0.00 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.60 1vca s LYS 107 CO 0.00 0.65 1.36 -1.25 -0.92 0.00 0.00 175.35 175.19 1vca s PRO 108 N -1.03 4.16 -0.06 -1.68 0.04 -1.26 -4.07 135.00 131.10 1vca s PRO 108 Ca 0.14 2.30 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1vca s PRO 108 Cb -0.11 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1vca s PRO 108 CO 0.04 -0.38 -0.17 -1.50 0.04 0.00 0.00 177.00 175.02 1vca s ILE 109 N -1.17 1.50 -0.23 0.56 1.10 -0.28 -4.96 121.20 117.71 1vca s ILE 109 Ca 0.53 -0.72 -0.08 0.00 -0.51 0.00 0.00 60.65 59.86 1vca s ILE 109 Cb -0.41 -1.31 -0.04 0.00 0.15 0.00 0.00 42.46 40.85 1vca s ILE 109 CO 0.55 0.43 0.09 -0.89 -2.11 0.00 0.00 174.94 173.01 1vca s THR 110 N 0.30 4.69 -0.18 4.00 2.01 -1.26 -1.75 115.64 123.44 1vca s THR 110 Ca -0.11 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1vca s THR 110 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1vca s THR 110 CO 0.04 0.36 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.61 1vca s VAL 111 N 1.25 3.82 -0.16 3.82 1.01 0.88 -1.43 120.40 129.58 1vca s VAL 111 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1vca s VAL 111 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1vca s VAL 111 CO 0.04 0.46 -0.18 -0.75 0.00 0.00 0.00 175.10 174.67 1vca s LYS 112 N 0.77 3.09 -0.21 2.72 2.20 0.07 -1.41 119.74 126.96 1vca s LYS 112 Ca -0.01 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1vca s LYS 112 Cb -0.14 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1vca s LYS 112 CO 0.02 -0.09 -0.09 0.00 -0.36 0.00 0.00 175.35 174.84 1vca s SER 114 N 1.41 3.00 -0.13 0.00 1.04 -0.87 -0.49 113.70 117.66 1vca s SER 114 Ca 0.05 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1vca s SER 114 Cb -0.14 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.78 1vca s SER 114 CO -0.06 0.17 -0.14 -0.69 0.98 0.00 0.00 173.24 173.50 1vca s VAL 115 N -0.99 1.50 0.25 5.02 1.01 -0.11 -0.97 120.40 126.11 1vca s VAL 115 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1vca s VAL 115 Cb -0.10 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1vca s VAL 115 CO 0.04 0.45 0.49 0.00 0.00 0.00 0.00 175.10 176.08 1vca s ALA 116 N 1.35 3.70 -1.33 5.51 0.00 -1.26 -1.92 121.76 127.82 1vca s ALA 116 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 1vca s ALA 116 Cb -0.13 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1vca s ALA 116 CO -0.08 0.32 0.70 -0.25 0.00 0.00 0.00 175.76 176.45 1vca n ASP 117 N -0.82 -1.32 -4.89 0.00 8.00 -1.11 -4.55 116.55 111.87 1vca n ASP 117 Ca -0.03 -0.83 -0.33 0.00 0.71 0.00 0.00 54.79 54.32 1vca n ASP 117 Cb 0.54 -3.99 -0.05 0.00 -0.02 0.00 0.00 41.12 37.59 1vca n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vca s VAL 118 N -3.67 5.25 -0.28 2.53 1.01 -0.16 -4.12 120.40 120.96 1vca s VAL 118 Ca 0.04 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1vca s VAL 118 Cb -0.02 -3.60 0.09 0.00 0.00 0.00 0.00 36.38 32.85 1vca s VAL 118 CO 0.82 0.21 0.71 -0.47 0.00 0.00 0.00 175.10 176.36 1vca s TYR 119 N -1.47 -1.07 -0.22 5.22 5.04 -0.53 -1.94 117.35 122.38 1vca s TYR 119 Ca 0.34 2.09 -0.23 0.00 -2.44 0.00 0.00 57.07 56.82 1vca s TYR 119 Cb -0.13 0.64 -0.01 0.00 0.35 0.00 0.00 41.96 42.81 1vca s TYR 119 CO 0.21 -0.53 0.75 -1.25 -1.34 0.00 0.00 175.55 173.40 1vca s PRO 120 N 1.81 4.19 0.50 4.97 0.04 -1.26 -0.08 135.00 145.18 1vca s PRO 120 Ca -0.09 0.82 0.17 0.00 0.04 0.00 0.00 61.00 61.94 1vca s PRO 120 Cb -0.06 -3.62 1.25 0.00 0.04 0.00 0.00 34.50 32.11 1vca s PRO 120 CO -0.19 -0.42 2.11 0.27 0.04 0.00 0.00 177.00 178.81 1vca h PHE 121 N 7.63 0.00 0.00 0.56 -5.15 -1.91 -0.96 116.94 117.11 1vca h PHE 121 Ca -0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 1vca h PHE 121 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.28 1vca h PHE 121 CO 0.74 0.06 0.00 -0.40 -2.00 0.00 0.00 178.31 176.71 1vca n ASP 122 N -4.36 0.00 -0.72 -0.68 5.68 -1.26 -1.29 116.55 113.91 1vca n ASP 122 Ca -0.03 0.12 0.07 0.00 -0.50 0.00 0.00 54.79 54.45 1vca n ASP 122 Cb 0.14 -0.27 0.15 0.00 -1.14 0.00 0.00 41.12 40.00 1vca n ASP 122 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1vca n ARG 123 N -1.27 2.24 -3.39 0.11 5.12 -0.36 -4.34 116.66 114.76 1vca n ARG 123 Ca 0.05 -1.92 -0.37 0.00 -1.93 0.00 0.00 57.85 53.68 1vca n ARG 123 Cb 0.08 -1.31 -0.06 0.00 -1.16 0.00 0.00 32.46 30.01 1vca n ARG 123 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1vca s LEU 124 N -1.05 4.46 -0.11 0.55 2.96 -0.41 -0.73 118.68 124.35 1vca s LEU 124 Ca 0.25 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1vca s LEU 124 Cb 0.14 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.99 1vca s LEU 124 CO 0.19 0.25 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.68 1vca s GLU 125 N -1.32 1.63 -0.24 1.98 2.12 0.29 -3.56 118.70 119.59 1vca s GLU 125 Ca 0.29 -0.31 -0.06 0.00 0.36 0.00 0.00 54.97 55.24 1vca s GLU 125 Cb -0.17 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.60 1vca s GLU 125 CO 0.17 -0.21 0.04 0.42 -0.54 0.00 0.00 175.26 175.15 1vca s ILE 126 N 1.48 4.14 -0.12 -3.70 1.01 0.36 -0.99 121.20 123.38 1vca s ILE 126 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1vca s ILE 126 Cb -0.13 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1vca s ILE 126 CO -0.06 0.37 -0.06 -1.81 0.00 0.00 0.00 174.94 173.38 1vca s ASP 127 N 1.47 4.68 -0.19 3.58 1.11 -0.22 0.04 116.67 127.14 1vca s ASP 127 Ca 0.06 -0.10 0.00 0.00 0.18 0.00 0.00 52.55 52.69 1vca s ASP 127 Cb -0.15 -1.54 0.01 0.00 1.07 0.00 0.00 42.92 42.32 1vca s ASP 127 CO 0.02 0.25 -0.17 -0.22 1.18 0.00 0.00 175.17 176.23 1vca s LEU 128 N -0.10 2.28 0.13 1.23 2.96 0.24 -0.68 118.68 124.74 1vca s LEU 128 Ca 0.02 -0.60 0.11 0.00 -0.22 0.00 0.00 54.13 53.43 1vca s LEU 128 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1vca s LEU 128 CO 0.03 -0.00 -0.26 -0.76 -1.32 0.00 0.00 176.35 174.03 1vca s LEU 129 N 1.33 2.33 -0.17 -0.68 1.02 -0.39 -0.44 118.68 121.68 1vca s LEU 129 Ca 0.05 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.45 1vca s LEU 129 Cb -0.13 -1.19 0.04 0.00 0.02 0.00 0.00 46.19 44.93 1vca s LEU 129 CO -0.11 0.16 -0.10 -0.75 0.02 0.00 0.00 176.35 175.57 1vca s LYS 130 N -2.11 1.92 6.44 1.70 2.20 -0.09 -1.18 119.74 128.63 1vca s LYS 130 Ca 0.14 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1vca s LYS 130 Cb -0.10 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1vca s LYS 130 CO 0.06 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1vca n GLY 131 N 4.77 1.65 1.31 5.54 0.00 -0.07 -2.43 105.19 115.96 1vca n GLY 131 Ca -0.14 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 1vca n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vca n ASP 132 N 5.47 2.63 -4.13 1.61 8.00 -1.26 -4.81 116.55 124.05 1vca n ASP 132 Ca 0.00 -3.78 -0.27 0.00 0.71 0.00 0.00 54.79 51.45 1vca n ASP 132 Cb 0.00 -0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 40.27 1vca n ASP 132 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1vca s HIS 133 N -3.27 1.86 -0.15 1.24 3.76 -1.02 -5.11 115.29 112.61 1vca s HIS 133 Ca 0.46 -0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 1vca s HIS 133 Cb 0.42 -1.27 -0.01 0.00 1.11 0.00 0.00 32.58 32.83 1vca s HIS 133 CO 0.01 -0.24 1.08 -1.17 -0.85 0.00 0.00 174.74 173.57 1vca s LEU 134 N 0.23 4.19 -0.12 0.89 2.96 -1.26 -0.91 118.68 124.67 1vca s LEU 134 Ca -0.09 1.55 -0.03 0.00 -0.22 0.00 0.00 54.13 55.33 1vca s LEU 134 Cb -0.14 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.75 1vca s LEU 134 CO 0.04 -0.59 0.38 0.23 -1.32 0.00 0.00 176.35 175.09 1vca n MET 135 N 5.70 0.73 -3.56 1.98 2.81 0.42 -4.96 117.12 120.25 1vca n MET 135 Ca 0.11 0.26 -0.16 0.00 -1.81 0.00 0.00 57.70 56.10 1vca n MET 135 Cb 0.47 -1.71 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 1vca n MET 135 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1vca s LYS 136 N -2.56 0.95 -0.02 0.03 2.20 -1.14 -5.02 119.74 114.18 1vca s LYS 136 Ca -0.20 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 1vca s LYS 136 Cb 0.07 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1vca s LYS 136 CO 0.77 -0.24 -0.07 0.45 -0.36 0.00 0.00 175.35 175.89 1vca s SER 137 N -0.63 1.04 -0.07 1.43 0.15 -1.26 -0.59 113.70 113.76 1vca s SER 137 Ca -0.07 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1vca s SER 137 Cb -0.02 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1vca s SER 137 CO 0.06 0.05 -0.09 -1.58 1.20 0.00 0.00 173.24 172.88 1vca s GLN 138 N 0.24 1.48 0.29 5.44 2.00 0.11 -4.97 119.66 124.25 1vca s GLN 138 Ca -0.03 -0.30 0.08 0.00 -2.00 0.00 0.00 55.36 53.10 1vca s GLN 138 Cb -0.08 -1.35 -0.04 0.00 0.80 0.00 0.00 33.01 32.35 1vca s GLN 138 CO 0.00 -0.08 0.18 -1.21 -0.50 0.00 0.00 175.29 173.68 1vca s GLU 139 N 1.03 2.66 -0.13 1.67 2.02 -1.26 -0.49 118.70 124.19 1vca s GLU 139 Ca -0.08 -1.27 0.15 0.00 0.02 0.00 0.00 54.97 53.79 1vca s GLU 139 Cb -0.15 -2.40 0.37 0.00 0.10 0.00 0.00 34.13 32.06 1vca s GLU 139 CO -0.00 0.26 1.18 1.19 0.02 0.00 0.00 175.26 177.91 1vca n PHE 140 N -1.17 0.00 0.19 1.61 3.72 -1.23 -4.91 117.46 115.66 1vca n PHE 140 Ca -0.05 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.28 1vca n PHE 140 Cb 0.59 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1vca n PHE 140 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 1vca n LEU 141 N -0.68 0.00 -4.52 4.37 -0.00 -1.26 -4.45 117.00 110.45 1vca n LEU 141 Ca 0.14 0.28 -0.43 0.00 -0.00 0.00 0.00 56.01 56.00 1vca n LEU 141 Cb 0.80 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.16 1vca n LEU 141 CO -0.03 -0.28 1.94 1.21 -0.00 0.00 0.00 177.39 180.23 1vca n GLU 142 N -1.64 1.14 -1.72 1.47 0.00 -1.26 -4.83 120.64 113.79 1vca n GLU 142 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 57.16 56.94 1vca n GLU 142 Cb 0.60 -2.86 -0.02 0.00 0.00 0.00 0.00 31.44 29.16 1vca n GLU 142 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1vca n ASP 143 N 12.42 3.54 -4.72 4.31 8.00 -1.26 -4.75 116.55 134.09 1vca n ASP 143 Ca 0.40 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.62 1vca n ASP 143 Cb 0.36 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.89 1vca n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vca s ALA 144 N 0.07 3.92 0.23 2.24 0.00 -1.26 -4.92 121.76 122.04 1vca s ALA 144 Ca 0.66 1.57 0.05 0.00 0.00 0.00 0.00 51.96 54.25 1vca s ALA 144 Cb -0.54 -3.71 0.21 0.00 0.00 0.00 0.00 23.12 19.08 1vca s ALA 144 CO 0.48 -0.97 1.53 0.38 0.00 0.00 0.00 175.76 177.17 1vca h ASP 145 N 7.07 0.22 0.00 0.00 2.03 -2.04 -3.48 116.42 120.23 1vca h ASP 145 Ca -0.43 -0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 1vca h ASP 145 Cb 1.20 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1vca h ASP 145 CO 0.96 0.82 0.00 -1.14 -1.03 0.00 0.00 179.24 178.85 1vca n ARG 146 N -3.81 0.00 -4.04 4.15 0.63 -1.26 -5.15 116.66 107.17 1vca n ARG 146 Ca -0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.59 1vca n ARG 146 Cb 0.66 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.42 1vca n ARG 146 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1vca s LYS 147 N 1.35 1.92 0.26 -0.14 1.02 -1.26 -5.08 119.74 117.81 1vca s LYS 147 Ca 0.00 -1.50 -0.16 0.00 0.02 0.00 0.00 55.97 54.34 1vca s LYS 147 Cb 0.00 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1vca s LYS 147 CO 0.00 -0.70 0.57 -1.54 -0.92 0.00 0.00 175.35 172.76 1vca s SER 148 N 1.06 -0.13 -0.02 2.83 1.04 -1.26 -5.09 113.70 112.13 1vca s SER 148 Ca -0.02 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.35 1vca s SER 148 Cb -0.20 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1vca s SER 148 CO -0.06 -1.23 0.70 -0.76 0.98 0.00 0.00 173.24 172.86 1vca s LEU 149 N -2.99 4.37 0.06 2.42 1.02 -1.26 -4.71 118.68 117.60 1vca s LEU 149 Ca 0.18 1.25 0.06 0.00 0.02 0.00 0.00 54.13 55.65 1vca s LEU 149 Cb -0.03 -3.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 1vca s LEU 149 CO 0.09 -0.04 -0.18 -1.61 0.02 0.00 0.00 176.35 174.63 1vca s GLU 150 N 0.37 1.08 -0.25 1.70 0.41 -0.82 -4.81 118.70 116.38 1vca s GLU 150 Ca 0.36 -0.95 -0.10 0.00 -0.41 0.00 0.00 54.97 53.88 1vca s GLU 150 Cb -0.19 -1.18 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1vca s GLU 150 CO 0.19 0.29 0.14 0.99 -0.49 0.00 0.00 175.26 176.38 1vca s THR 151 N -1.00 5.07 0.23 3.63 2.01 -1.26 -0.99 115.64 123.33 1vca s THR 151 Ca 0.04 0.08 0.11 0.00 0.31 0.00 0.00 61.69 62.23 1vca s THR 151 Cb -0.09 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1vca s THR 151 CO 0.02 0.32 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.55 1vca s LYS 152 N 1.33 1.71 0.16 4.92 -0.14 -0.81 -4.96 119.74 121.95 1vca s LYS 152 Ca 0.07 -1.57 -0.13 0.00 -1.36 0.00 0.00 55.97 52.97 1vca s LYS 152 Cb -0.15 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 1vca s LYS 152 CO 0.06 0.38 0.38 -1.54 -0.76 0.00 0.00 175.35 173.87 1vca s SER 153 N -3.07 -0.11 -0.03 2.83 1.04 -1.26 -0.94 113.70 112.16 1vca s SER 153 Ca 0.25 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 56.13 1vca s SER 153 Cb -0.07 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1vca s SER 153 CO 0.13 -0.93 -0.17 -0.22 0.98 0.00 0.00 173.24 173.03 1vca s LEU 154 N -2.89 1.98 -0.03 2.42 0.20 0.36 -4.98 118.68 115.74 1vca s LEU 154 Ca 0.10 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1vca s LEU 154 Cb 0.02 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.83 1vca s LEU 154 CO -0.04 0.19 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.44 1vca s GLU 155 N -0.21 1.42 -0.01 1.98 2.02 -1.26 -0.80 118.70 121.84 1vca s GLU 155 Ca 0.02 -0.54 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 1vca s GLU 155 Cb -0.09 -1.30 0.01 0.00 0.10 0.00 0.00 34.13 32.84 1vca s GLU 155 CO 0.01 0.27 0.15 0.54 0.02 0.00 0.00 175.26 176.24 1vca s VAL 156 N -0.12 0.06 -0.11 2.63 0.11 -0.50 -5.01 120.40 117.45 1vca s VAL 156 Ca 0.01 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1vca s VAL 156 Cb -0.09 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1vca s VAL 156 CO 0.01 -0.29 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.39 1vca s THR 157 N -1.04 1.88 0.18 5.04 2.01 -1.26 -0.08 115.64 122.36 1vca s THR 157 Ca -0.11 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1vca s THR 157 Cb -0.06 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1vca s THR 157 CO 0.01 0.52 0.19 0.72 -0.69 0.00 0.00 174.62 175.37 1vca s PHE 158 N 0.67 0.80 -0.26 4.92 -0.71 -0.72 -4.98 117.98 117.70 1vca s PHE 158 Ca -0.12 -1.12 -0.06 0.00 -1.04 0.00 0.00 56.93 54.59 1vca s PHE 158 Cb -0.16 -0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 41.31 1vca s PHE 158 CO 0.02 -0.67 0.05 0.99 -1.34 0.00 0.00 175.22 174.27 1vca s THR 159 N -4.07 3.91 0.71 -4.49 2.01 -1.26 -1.13 115.64 111.32 1vca s THR 159 Ca 0.28 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 1vca s THR 159 Cb 0.05 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1vca s THR 159 CO 0.06 0.24 1.12 -2.84 -0.69 0.00 0.00 174.62 172.51 1vca s PRO 160 N 1.53 2.49 0.21 4.92 0.02 -1.26 -4.85 135.00 138.05 1vca s PRO 160 Ca 0.04 1.41 0.06 0.00 0.02 0.00 0.00 61.00 62.53 1vca s PRO 160 Cb -0.16 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 1vca s PRO 160 CO 0.01 -1.50 -0.08 0.14 -0.33 0.00 0.00 177.00 175.24 1vca s VAL 161 N -2.43 1.39 0.32 3.83 -7.23 -1.26 -1.95 120.40 113.07 1vca s VAL 161 Ca 0.67 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1vca s VAL 161 Cb -0.21 -2.14 0.31 0.00 0.56 0.00 0.00 36.38 34.90 1vca s VAL 161 CO 0.46 -0.52 1.84 0.40 -0.31 0.00 0.00 175.10 176.97 1vca h ILE 162 N 2.55 0.84 0.00 -0.62 5.03 -1.96 -0.25 117.51 123.09 1vca h ILE 162 Ca -0.38 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1vca h ILE 162 Cb 1.21 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 1vca h ILE 162 CO 0.64 0.15 0.00 -1.84 -0.68 0.00 0.00 178.15 176.42 1vca n GLU 163 N -4.62 0.45 0.07 2.37 0.00 -1.26 -2.22 120.64 115.43 1vca n GLU 163 Ca 0.19 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.52 1vca n GLU 163 Cb 0.46 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.87 1vca n GLU 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1vca n ASP 164 N -1.11 0.46 -4.69 -1.84 8.00 -0.11 -4.80 116.55 112.47 1vca n ASP 164 Ca 0.12 0.56 -0.44 0.00 0.71 0.00 0.00 54.79 55.73 1vca n ASP 164 Cb 0.09 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1vca n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vca n ILE 165 N -1.95 0.09 0.00 0.53 3.06 -0.94 -1.63 119.36 118.52 1vca n ILE 165 Ca 0.05 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1vca n ILE 165 Cb 0.34 -1.70 0.00 0.00 0.54 0.00 0.00 39.64 38.82 1vca n ILE 165 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1vca n GLY 166 N 3.49 2.52 3.79 4.50 0.00 -0.63 -5.03 105.19 113.83 1vca n GLY 166 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1vca n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vca s LYS 167 N -0.33 3.40 -0.10 1.61 1.02 -0.64 -4.68 119.74 120.02 1vca s LYS 167 Ca 0.00 1.35 -0.02 0.00 0.02 0.00 0.00 55.97 57.31 1vca s LYS 167 Cb 0.00 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1vca s LYS 167 CO 0.00 -0.76 -0.00 0.14 -0.92 0.00 0.00 175.35 173.80 1vca s VAL 168 N -2.17 4.27 -0.11 3.17 -7.23 -1.26 -0.73 120.40 116.33 1vca s VAL 168 Ca 0.67 -0.25 -0.20 0.00 -1.81 0.00 0.00 61.98 60.39 1vca s VAL 168 Cb -0.18 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1vca s VAL 168 CO 0.31 0.58 0.55 -0.76 -0.31 0.00 0.00 175.10 175.46 1vca s LEU 169 N -0.58 4.28 -0.09 1.32 1.43 0.43 -0.89 118.68 124.58 1vca s LEU 169 Ca 0.10 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1vca s LEU 169 Cb -0.12 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.30 1vca s LEU 169 CO 0.02 -0.05 -0.14 0.68 0.23 0.00 0.00 176.35 177.09 1vca s VAL 170 N 0.76 1.33 -0.33 -1.59 -7.23 -0.32 -1.37 120.40 111.65 1vca s VAL 170 Ca 0.29 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.80 1vca s VAL 170 Cb -0.16 -1.22 0.01 0.00 0.56 0.00 0.00 36.38 35.57 1vca s VAL 170 CO 0.13 0.40 0.16 0.00 -0.31 0.00 0.00 175.10 175.48 1vca s ARG 172 N 1.57 3.56 -0.21 0.00 3.52 0.15 -0.76 118.95 126.78 1vca s ARG 172 Ca 0.03 -0.54 -0.06 0.00 -0.13 0.00 0.00 55.73 55.03 1vca s ARG 172 Cb -0.18 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1vca s ARG 172 CO 0.06 -0.22 0.04 0.00 -0.81 0.00 0.00 175.30 174.36 1vca s ALA 173 N 1.59 3.17 -0.15 6.12 0.00 0.85 -1.06 121.76 132.28 1vca s ALA 173 Ca 0.06 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1vca s ALA 173 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1vca s ALA 173 CO 0.03 -0.18 -0.18 0.15 0.00 0.00 0.00 175.76 175.58 1vca s LYS 174 N 1.04 3.14 -0.29 0.00 1.02 -0.16 -1.45 119.74 123.03 1vca s LYS 174 Ca 0.03 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.15 1vca s LYS 174 Cb -0.14 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1vca s LYS 174 CO 0.02 0.02 0.11 -1.17 -0.92 0.00 0.00 175.35 173.41 1vca s LEU 175 N 0.78 3.89 -1.04 3.17 2.96 0.08 -0.55 118.68 127.96 1vca s LEU 175 Ca -0.07 -0.57 -0.16 0.00 -0.22 0.00 0.00 54.13 53.11 1vca s LEU 175 Cb -0.16 -1.93 0.15 0.00 0.50 0.00 0.00 46.19 44.76 1vca s LEU 175 CO -0.00 -0.17 1.24 -1.00 -1.32 0.00 0.00 176.35 175.10 1vca s HIS 176 N 1.56 3.31 0.13 5.38 3.76 0.09 -4.66 115.29 124.86 1vca s HIS 176 Ca 0.04 -1.74 0.09 0.00 -0.15 0.00 0.00 55.06 53.31 1vca s HIS 176 Cb -0.17 -4.27 -0.04 0.00 1.11 0.00 0.00 32.58 29.21 1vca s HIS 176 CO 0.04 -1.43 -0.23 0.96 -0.85 0.00 0.00 174.74 173.24 1vca s ILE 177 N 2.09 1.96 0.13 0.60 -4.36 -1.26 -4.85 121.20 115.52 1vca s ILE 177 Ca 0.36 -1.72 -0.31 0.00 -0.26 0.00 0.00 60.65 58.72 1vca s ILE 177 Cb -0.04 -1.80 -0.11 0.00 1.25 0.00 0.00 42.46 41.77 1vca s ILE 177 CO -0.06 -0.06 1.83 -1.81 0.24 0.00 0.00 174.94 175.08 1vca s ASP 178 N -2.16 6.41 0.12 4.36 1.11 -1.26 -4.90 116.67 120.35 1vca s ASP 178 Ca 0.12 2.78 -0.30 0.00 0.18 0.00 0.00 52.55 55.33 1vca s ASP 178 Cb -0.09 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.26 1vca s ASP 178 CO 0.06 -1.01 1.15 -1.61 1.18 0.00 0.00 175.17 174.94 1vca s GLU 179 N 2.57 4.51 -0.75 8.23 2.02 -1.26 -4.97 118.70 129.04 1vca s GLU 179 Ca 0.81 1.75 0.03 0.00 0.02 0.00 0.00 54.97 57.58 1vca s GLU 179 Cb -0.47 -3.31 0.24 0.00 0.10 0.00 0.00 34.13 30.69 1vca s GLU 179 CO 0.36 -0.09 0.81 -0.12 0.02 0.00 0.00 175.26 176.23 1vca n MET 180 N 3.10 2.68 -1.51 1.61 0.00 -1.26 -5.03 117.12 116.71 1vca n MET 180 Ca 0.06 -4.60 -0.30 0.00 -0.00 0.00 0.00 57.70 52.86 1vca n MET 180 Cb 0.46 -2.32 -0.18 0.00 0.00 0.00 0.00 33.22 31.18 1vca n MET 180 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1vca n ASP 181 N 1.33 -0.36 0.00 6.12 8.00 -1.26 -2.25 116.55 128.13 1vca n ASP 181 Ca 0.26 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1vca n ASP 181 Cb 0.38 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1vca n ASP 181 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1vca n SER 182 N 8.90 0.00 -4.22 -2.24 7.64 -1.26 -5.06 113.62 117.38 1vca n SER 182 Ca 0.64 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 60.15 1vca n SER 182 Cb 0.14 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 1vca n SER 182 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vca s VAL 183 N 0.00 3.57 0.51 0.44 0.11 -0.95 -5.10 120.40 118.97 1vca s VAL 183 Ca 0.00 -1.41 -0.22 0.00 -2.93 0.00 0.00 61.98 57.42 1vca s VAL 183 Cb 0.00 -3.14 -0.06 0.00 -1.53 0.00 0.00 36.38 31.65 1vca s VAL 183 CO 0.00 -0.31 1.22 -2.84 -3.33 0.00 0.00 175.10 169.83 1vca s PRO 184 N 1.32 3.46 0.15 1.54 0.02 -1.26 -4.47 135.00 135.76 1vca s PRO 184 Ca 0.00 1.88 0.12 0.00 0.02 0.00 0.00 61.00 63.02 1vca s PRO 184 Cb -0.21 -2.27 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 1vca s PRO 184 CO 0.00 -0.83 1.20 1.15 -0.33 0.00 0.00 177.00 178.19 1vca h THR 185 N 1.57 1.11 -3.92 0.99 2.02 -1.95 -3.47 112.91 109.26 1vca h THR 185 Ca -0.50 -2.67 -0.68 0.00 0.77 0.00 0.00 66.41 63.33 1vca h THR 185 Cb 1.27 2.51 -0.21 0.00 -1.74 0.00 0.00 68.15 69.98 1vca h THR 185 CO 0.58 0.63 -0.79 -0.69 0.37 0.00 0.00 175.52 175.63 1vca s VAL 186 N -2.83 2.92 -0.03 3.16 1.01 -1.26 -0.74 120.40 122.63 1vca s VAL 186 Ca 0.01 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1vca s VAL 186 Cb 0.09 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1vca s VAL 186 CO 0.79 0.34 0.11 -0.13 0.00 0.00 0.00 175.10 176.21 1vca s ARG 187 N -1.44 0.18 0.07 2.72 0.52 -0.53 -5.00 118.95 115.47 1vca s ARG 187 Ca 0.15 0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1vca s ARG 187 Cb -0.11 0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.46 1vca s ARG 187 CO 0.06 -0.03 0.24 1.14 0.02 0.00 0.00 175.30 176.73 1vca s GLN 188 N -0.19 0.82 -0.02 3.54 -2.07 -1.26 -0.10 119.66 120.37 1vca s GLN 188 Ca -0.03 -0.74 0.07 0.00 -1.82 0.00 0.00 55.36 52.85 1vca s GLN 188 Cb -0.02 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.22 1vca s GLN 188 CO 0.00 -0.26 -0.24 0.00 -1.32 0.00 0.00 175.29 173.47 1vca s ALA 189 N -3.20 1.99 0.03 2.60 0.00 0.06 -4.67 121.76 118.57 1vca s ALA 189 Ca -0.00 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1vca s ALA 189 Cb 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1vca s ALA 189 CO -0.07 0.48 -0.22 0.08 0.00 0.00 0.00 175.76 176.03 1vca s VAL 190 N -0.54 1.77 -0.13 0.00 1.01 -1.26 -0.68 120.40 120.57 1vca s VAL 190 Ca 0.09 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1vca s VAL 190 Cb -0.09 -1.52 0.07 0.00 0.00 0.00 0.00 36.38 34.84 1vca s VAL 190 CO -0.01 0.30 0.21 -0.75 0.00 0.00 0.00 175.10 174.86 1vca s LYS 191 N -1.03 0.12 0.12 2.72 2.47 -0.47 -4.98 119.74 118.68 1vca s LYS 191 Ca 0.09 0.51 -0.30 0.00 -1.56 0.00 0.00 55.97 54.71 1vca s LYS 191 Cb -0.09 -0.48 -0.07 0.00 -1.46 0.00 0.00 37.83 35.73 1vca s LYS 191 CO 0.01 -0.41 1.16 -1.21 0.16 0.00 0.00 175.35 175.07 1vca s GLU 192 N 2.34 4.49 -0.38 4.03 2.02 -1.26 -0.43 118.70 129.52 1vca s GLU 192 Ca 0.04 1.77 -0.25 0.00 0.02 0.00 0.00 54.97 56.54 1vca s GLU 192 Cb -0.13 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.81 1vca s GLU 192 CO -0.09 -0.12 0.90 -0.51 0.02 0.00 0.00 175.26 175.46 1vca s LEU 193 N 0.40 4.02 -0.38 1.80 1.43 0.09 -4.93 118.68 121.10 1vca s LEU 193 Ca 0.55 0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.99 1vca s LEU 193 Cb -0.30 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1vca s LEU 193 CO 0.32 -0.86 0.37 -1.58 0.23 0.00 0.00 176.35 174.84 1vca s GLN 194 N 3.44 3.30 -0.18 1.70 2.00 -1.26 -1.60 119.66 127.06 1vca s GLN 194 Ca 0.37 -0.65 -0.09 0.00 -2.00 0.00 0.00 55.36 52.99 1vca s GLN 194 Cb -0.12 -3.89 -0.05 0.00 0.80 0.00 0.00 33.01 29.75 1vca s GLN 194 CO 0.19 -0.67 0.12 0.08 -0.50 0.00 0.00 175.29 174.51 1vca s VAL 195 N 1.99 5.30 -0.06 1.34 1.01 -1.26 -4.25 120.40 124.46 1vca s VAL 195 Ca 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1vca s VAL 195 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1vca s VAL 195 CO 0.12 0.49 0.10 -0.31 0.00 0.00 0.00 175.10 175.50 1vca s TYR 196 N 0.03 3.41 0.40 5.22 2.02 -0.09 -4.97 117.35 123.37 1vca s TYR 196 Ca 0.09 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 57.11 1vca s TYR 196 Cb -0.11 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1vca s TYR 196 CO -0.00 0.62 0.64 0.96 -1.57 0.00 0.00 175.55 176.20 1vca s ILE 197 N -1.10 5.02 -0.27 2.71 -4.36 -1.26 -1.40 121.20 120.54 1vca s ILE 197 Ca 0.19 -0.21 -0.02 0.00 -0.26 0.00 0.00 60.65 60.35 1vca s ILE 197 Cb -0.12 -3.86 0.03 0.00 1.25 0.00 0.00 42.46 39.76 1vca s ILE 197 CO 0.09 -0.67 -0.03 -0.55 0.24 0.00 0.00 174.94 174.02 1vca s SER 198 N -4.06 4.59 0.00 4.36 0.15 -1.26 -4.89 113.70 112.58 1vca s SER 198 Ca 0.43 -1.01 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1vca s SER 198 Cb -0.10 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1vca s SER 198 CO 0.39 -0.18 0.19 -2.65 1.20 0.00 0.00 173.24 172.19