#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsc s LYS 2 N 0.00 0.86 -0.06 3.97 1.02 0.84 -4.98 119.74 121.39 1vsc s LYS 2 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1vsc s LYS 2 Cb 0.00 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1vsc s LYS 2 CO 0.00 0.20 -0.12 -1.50 -0.92 0.00 0.00 175.35 173.01 1vsc s ILE 3 N -1.00 3.25 0.06 2.17 2.07 -1.26 -1.36 121.20 125.14 1vsc s ILE 3 Ca -0.00 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.56 1vsc s ILE 3 Cb -0.08 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.18 1vsc s ILE 3 CO 0.01 0.59 0.03 -1.83 -1.91 0.00 0.00 174.94 171.83 1vsc s GLU 4 N -0.69 0.69 0.03 3.50 -1.05 0.47 -5.00 118.70 116.66 1vsc s GLU 4 Ca 0.10 -1.17 -0.05 0.00 -0.15 0.00 0.00 54.97 53.70 1vsc s GLU 4 Cb -0.11 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.81 1vsc s GLU 4 CO 0.01 -0.16 0.09 0.95 0.95 0.00 0.00 175.26 177.10 1vsc s THR 5 N -3.91 0.13 -0.10 1.83 -4.23 -1.26 -0.82 115.64 107.27 1vsc s THR 5 Ca 0.08 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1vsc s THR 5 Cb 0.07 -0.81 0.02 0.00 1.34 0.00 0.00 72.50 73.13 1vsc s THR 5 CO -0.09 -0.57 -0.08 0.42 -0.54 0.00 0.00 174.62 173.75 1vsc s THR 6 N -2.41 0.99 0.89 3.99 -4.23 -1.00 -3.59 115.64 110.29 1vsc s THR 6 Ca -0.07 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1vsc s THR 6 Cb -0.02 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 72.95 1vsc s THR 6 CO -0.04 0.35 1.12 -2.16 -0.54 0.00 0.00 174.62 173.36 1vsc s PRO 7 N 1.46 1.28 0.19 3.99 0.04 -1.26 -1.29 135.00 139.40 1vsc s PRO 7 Ca -0.00 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.32 1vsc s PRO 7 Cb -0.13 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.76 1vsc s PRO 7 CO -0.05 -2.13 1.72 1.49 0.04 0.00 0.00 177.00 178.07 1vsc h GLU 8 N -1.45 0.25 0.00 4.56 4.57 -1.97 -3.41 114.58 117.13 1vsc h GLU 8 Ca -0.50 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1vsc h GLU 8 Cb 1.32 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1vsc h GLU 8 CO 0.61 0.17 0.00 -1.13 -1.18 0.00 0.00 179.01 177.48 1vsc n SER 9 N -5.09 0.00 -3.61 1.04 3.41 -1.26 -4.82 113.62 103.29 1vsc n SER 9 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 1vsc n SER 9 Cb 0.24 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 1vsc n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vsc s ARG 10 N 0.00 0.88 -0.22 4.33 1.70 -1.26 -1.49 118.95 122.89 1vsc s ARG 10 Ca 0.00 0.70 0.01 0.00 -0.47 0.00 0.00 55.73 55.97 1vsc s ARG 10 Cb 0.00 0.42 0.05 0.00 -0.57 0.00 0.00 34.95 34.85 1vsc s ARG 10 CO 0.00 -0.17 -0.07 -0.47 -1.08 0.00 0.00 175.30 173.50 1vsc s TYR 11 N -0.18 2.38 -0.39 5.89 6.14 -0.25 -4.80 117.35 126.15 1vsc s TYR 11 Ca -0.04 -1.66 -0.11 0.00 0.64 0.00 0.00 57.07 55.90 1vsc s TYR 11 Cb -0.03 -1.59 0.04 0.00 0.42 0.00 0.00 41.96 40.79 1vsc s TYR 11 CO 0.04 -0.75 0.22 -1.17 0.64 0.00 0.00 175.55 174.53 1vsc s LEU 12 N 1.40 4.83 0.32 6.97 2.96 -1.25 0.91 118.68 134.82 1vsc s LEU 12 Ca -0.04 -1.09 0.09 0.00 -0.22 0.00 0.00 54.13 52.88 1vsc s LEU 12 Cb -0.18 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 1vsc s LEU 12 CO -0.07 -0.42 -0.02 0.00 -1.32 0.00 0.00 176.35 174.52 1vsc s ALA 13 N 1.54 3.13 -0.07 5.97 0.00 0.27 -4.95 121.76 127.65 1vsc s ALA 13 Ca 0.02 -1.92 -0.15 0.00 0.00 0.00 0.00 51.96 49.91 1vsc s ALA 13 Cb -0.20 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1vsc s ALA 13 CO 0.06 0.12 0.39 -1.14 0.00 0.00 0.00 175.76 175.19 1vsc s GLN 14 N -3.68 4.07 0.31 0.00 0.74 -1.26 -0.11 119.66 119.73 1vsc s GLN 14 Ca 0.34 0.33 -0.27 0.00 0.05 0.00 0.00 55.36 55.81 1vsc s GLN 14 Cb -0.01 -3.31 -0.14 0.00 1.10 0.00 0.00 33.01 30.64 1vsc s GLN 14 CO 0.19 0.47 0.87 -0.89 -0.55 0.00 0.00 175.29 175.38 1vsc n ILE 15 N 2.65 2.01 -0.28 -2.34 5.41 -0.58 -1.02 119.36 125.20 1vsc n ILE 15 Ca -0.12 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1vsc n ILE 15 Cb 0.52 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1vsc n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vsc n GLY 16 N 1.41 1.57 3.85 7.39 0.00 0.24 -4.93 105.19 114.72 1vsc n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1vsc n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vsc s ASP 17 N -3.23 4.96 -0.51 1.61 1.01 -0.19 -4.48 116.67 115.84 1vsc s ASP 17 Ca 0.00 1.21 -0.17 0.00 0.71 0.00 0.00 52.55 54.30 1vsc s ASP 17 Cb 0.00 -1.97 0.09 0.00 1.01 0.00 0.00 42.92 42.05 1vsc s ASP 17 CO 0.00 -1.66 0.51 -0.55 0.21 0.00 0.00 175.17 173.68 1vsc s SER 18 N -4.14 6.18 -0.22 0.27 0.15 -1.26 0.97 113.70 115.64 1vsc s SER 18 Ca 0.60 -1.39 -0.10 0.00 0.70 0.00 0.00 55.95 55.76 1vsc s SER 18 Cb -0.13 -2.23 -0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1vsc s SER 18 CO 0.53 -0.82 0.13 -0.69 1.20 0.00 0.00 173.24 173.59 1vsc s VAL 19 N 1.98 5.19 -0.16 4.45 1.01 0.08 -4.98 120.40 127.96 1vsc s VAL 19 Ca 0.07 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1vsc s VAL 19 Cb -0.25 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1vsc s VAL 19 CO 0.07 0.38 -0.19 -0.44 0.00 0.00 0.00 175.10 174.92 1vsc s SER 20 N 0.84 3.01 0.00 3.32 0.01 -1.26 -0.18 113.70 119.44 1vsc s SER 20 Ca 0.07 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.75 1vsc s SER 20 Cb -0.13 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 1vsc s SER 20 CO 0.02 0.00 -0.04 -0.76 0.41 0.00 0.00 173.24 172.88 1vsc s LEU 21 N 1.24 3.31 0.11 2.44 1.43 0.47 -4.75 118.68 122.94 1vsc s LEU 21 Ca 0.03 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1vsc s LEU 21 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1vsc s LEU 21 CO -0.10 0.28 -0.19 0.42 0.23 0.00 0.00 176.35 176.99 1vsc s THR 22 N -1.03 1.61 -0.08 5.49 -4.23 -0.41 -0.37 115.64 116.62 1vsc s THR 22 Ca 0.18 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1vsc s THR 22 Cb -0.11 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.19 1vsc s THR 22 CO 0.09 -0.18 -0.07 0.00 -0.54 0.00 0.00 174.62 173.92 1vsc s SER 24 N 1.36 1.90 0.19 0.00 0.01 -0.00 -0.29 113.70 116.87 1vsc s SER 24 Ca -0.03 -1.00 0.08 0.00 1.31 0.00 0.00 55.95 56.31 1vsc s SER 24 Cb -0.14 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1vsc s SER 24 CO -0.03 -0.30 -0.15 0.42 0.41 0.00 0.00 173.24 173.58 1vsc s THR 25 N -3.22 1.74 0.02 1.44 -4.23 -1.00 -0.40 115.64 109.99 1vsc s THR 25 Ca 0.17 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1vsc s THR 25 Cb 0.02 -1.95 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1vsc s THR 25 CO 0.01 -0.51 -0.04 0.42 -0.54 0.00 0.00 174.62 173.97 1vsc s THR 26 N -2.66 0.27 0.00 3.99 -4.23 -0.46 -4.81 115.64 107.74 1vsc s THR 26 Ca 0.20 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 1vsc s THR 26 Cb -0.02 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1vsc s THR 26 CO 0.07 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1vsc n GLY 27 N 2.04 0.61 3.07 3.99 0.00 -1.26 -0.12 105.19 113.52 1vsc n GLY 27 Ca -0.20 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1vsc n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vsc h GLU 29 N 6.66 0.01 -2.55 0.00 4.81 -1.98 -3.41 114.58 118.12 1vsc h GLU 29 Ca -0.31 -0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.30 1vsc h GLU 29 Cb 1.19 0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.17 1vsc h GLU 29 CO 0.48 1.01 -0.78 0.43 -0.73 0.00 0.00 179.01 179.41 1vsc n SER 30 N -4.59 1.59 -4.85 1.04 7.64 -1.26 -5.01 113.62 108.18 1vsc n SER 30 Ca -0.10 -2.90 -0.32 0.00 1.01 0.00 0.00 58.87 56.56 1vsc n SER 30 Cb 0.49 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1vsc n SER 30 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vsc s PRO 31 N -1.09 3.85 -0.12 1.43 0.04 -1.26 -4.67 135.00 133.18 1vsc s PRO 31 Ca 0.31 0.86 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1vsc s PRO 31 Cb 0.05 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1vsc s PRO 31 CO -0.15 -0.32 -0.22 0.12 0.04 0.00 0.00 177.00 176.48 1vsc s PHE 32 N -2.73 2.53 -0.00 0.56 5.36 -0.78 -4.97 117.98 117.94 1vsc s PHE 32 Ca 0.57 -1.17 0.04 0.00 -0.96 0.00 0.00 56.93 55.42 1vsc s PHE 32 Cb -0.10 -1.71 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1vsc s PHE 32 CO 0.36 -0.52 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.44 1vsc s PHE 33 N 0.64 2.77 0.02 10.12 0.40 -1.26 -0.82 117.98 129.84 1vsc s PHE 33 Ca -0.12 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 1vsc s PHE 33 Cb -0.16 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1vsc s PHE 33 CO 0.03 0.30 -0.04 -1.54 0.70 0.00 0.00 175.22 174.67 1vsc s SER 34 N -1.27 0.38 0.12 1.36 1.04 -0.63 -4.99 113.70 109.72 1vsc s SER 34 Ca 0.15 -0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.30 1vsc s SER 34 Cb -0.11 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1vsc s SER 34 CO 0.05 -0.17 -0.08 0.26 0.98 0.00 0.00 173.24 174.28 1vsc s TRP 35 N -0.96 2.75 0.18 5.02 0.52 -1.26 -1.16 118.94 124.02 1vsc s TRP 35 Ca -0.09 -0.16 -0.18 0.00 0.02 0.00 0.00 56.10 55.69 1vsc s TRP 35 Cb -0.07 -1.41 0.04 0.00 -1.15 0.00 0.00 33.47 30.88 1vsc s TRP 35 CO -0.00 0.45 0.51 -0.98 0.02 0.00 0.00 176.95 176.95 1vsc s ARG 36 N -2.41 1.30 0.26 4.98 1.70 -0.69 -4.98 118.95 119.11 1vsc s ARG 36 Ca 0.23 -0.78 0.05 0.00 -0.47 0.00 0.00 55.73 54.77 1vsc s ARG 36 Cb -0.11 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1vsc s ARG 36 CO 0.15 -0.55 0.37 0.95 -1.08 0.00 0.00 175.30 175.14 1vsc s THR 37 N -3.84 4.97 0.64 4.99 -4.23 -1.26 0.18 115.64 117.08 1vsc s THR 37 Ca 0.07 -1.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.79 1vsc s THR 37 Cb -0.00 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.33 1vsc s THR 37 CO -0.06 -0.30 1.72 0.06 -0.54 0.00 0.00 174.62 175.50 1vsc h GLN 38 N 1.15 0.00 0.00 3.99 -0.00 -1.86 0.16 115.11 118.55 1vsc h GLN 38 Ca -0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.12 1vsc h GLN 38 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.65 1vsc h GLN 38 CO 0.59 0.00 -0.47 0.44 -0.00 0.00 0.00 178.83 179.40 1vsc n ILE 39 N -2.78 1.63 -4.25 1.86 -5.35 -1.26 -5.00 119.36 104.21 1vsc n ILE 39 Ca -0.02 -2.43 -0.37 0.00 -0.27 0.00 0.00 62.75 59.66 1vsc n ILE 39 Cb 0.50 0.01 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 1vsc n ILE 39 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1vsc n ASP 40 N -0.86 -3.07 -4.98 7.28 8.00 0.04 -4.96 116.55 118.00 1vsc n ASP 40 Ca 0.15 -1.03 -0.20 0.00 0.71 0.00 0.00 54.79 54.41 1vsc n ASP 40 Cb 0.75 -2.66 0.03 0.00 -0.02 0.00 0.00 41.12 39.22 1vsc n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1vsc s SER 41 N -3.33 5.34 0.49 -2.24 1.04 -1.26 -4.97 113.70 108.77 1vsc s SER 41 Ca 0.72 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.86 1vsc s SER 41 Cb -0.40 -0.84 -0.09 0.00 0.10 0.00 0.00 66.02 64.79 1vsc s SER 41 CO 0.94 -1.08 0.89 -2.65 0.98 0.00 0.00 173.24 172.32 1vsc n PRO 42 N -2.26 1.05 0.07 4.02 -0.02 -1.26 -4.45 135.00 132.14 1vsc n PRO 42 Ca 0.08 0.39 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 1vsc n PRO 42 Cb 0.60 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1vsc n PRO 42 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1vsc h LEU 43 N 1.01 0.00 -0.12 2.45 3.38 -1.96 -3.47 115.31 116.60 1vsc h LEU 43 Ca -0.45 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.09 1vsc h LEU 43 Cb 1.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.13 1vsc h LEU 43 CO 0.53 0.95 -0.66 0.59 0.09 0.00 0.00 178.44 179.94 1vsc n ASN 44 N -3.36 -5.37 -3.53 -0.43 3.02 -1.26 -4.80 115.26 99.52 1vsc n ASN 44 Ca 0.00 -0.52 -0.11 0.00 -0.03 0.00 0.00 54.58 53.93 1vsc n ASN 44 Cb 0.91 -4.31 -0.03 0.00 -0.61 0.00 0.00 39.78 35.74 1vsc n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1vsc s GLY 45 N -3.03 0.74 -0.09 7.41 0.00 -1.26 -4.74 107.32 106.34 1vsc s GLY 45 Ca 0.50 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1vsc s GLY 45 CO 0.62 -0.63 -0.23 -1.59 0.00 0.00 0.00 173.10 171.27 1vsc s LYS 46 N -3.35 2.99 -0.17 2.90 -2.85 0.92 -4.94 119.74 115.23 1vsc s LYS 46 Ca 0.22 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 54.22 1vsc s LYS 46 Cb -0.02 -2.31 -0.05 0.00 -2.06 0.00 0.00 37.83 33.39 1vsc s LYS 46 CO 0.13 0.23 0.20 0.08 0.10 0.00 0.00 175.35 176.09 1vsc s VAL 47 N 0.23 5.37 -0.11 1.79 1.01 -1.26 -0.91 120.40 126.52 1vsc s VAL 47 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1vsc s VAL 47 Cb -0.17 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.70 1vsc s VAL 47 CO 0.08 0.44 -0.10 0.42 0.00 0.00 0.00 175.10 175.94 1vsc s THR 48 N 0.20 1.15 -0.34 3.92 -4.23 0.29 -4.94 115.64 111.69 1vsc s THR 48 Ca 0.12 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1vsc s THR 48 Cb -0.12 -1.13 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1vsc s THR 48 CO 0.01 0.39 0.24 0.20 -0.54 0.00 0.00 174.62 174.92 1vsc s ASN 49 N 1.53 6.06 -0.29 3.99 0.01 -1.26 -0.62 114.94 124.36 1vsc s ASN 49 Ca 0.02 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 51.77 1vsc s ASN 49 Cb -0.13 -2.14 0.09 0.00 0.41 0.00 0.00 41.25 39.48 1vsc s ASN 49 CO -0.07 -0.23 0.10 -1.61 -1.51 0.00 0.00 177.10 173.78 1vsc s GLU 50 N 1.74 0.56 7.41 -0.60 2.02 0.32 -4.99 118.70 125.15 1vsc s GLU 50 Ca 0.06 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1vsc s GLU 50 Cb -0.17 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1vsc s GLU 50 CO 0.11 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.85 1vsc n GLY 51 N 4.99 2.27 1.51 -1.39 0.00 -1.26 -2.82 105.19 108.50 1vsc n GLY 51 Ca -0.04 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1vsc n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vsc n THR 52 N 0.00 1.99 -4.35 2.61 -2.24 -1.26 -4.84 114.28 106.19 1vsc n THR 52 Ca 0.00 -1.02 -0.19 0.00 -2.27 0.00 0.00 64.05 60.57 1vsc n THR 52 Cb 0.00 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 67.79 1vsc n THR 52 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1vsc s THR 53 N -2.26 0.88 -0.02 4.28 2.01 -1.13 -2.39 115.64 117.02 1vsc s THR 53 Ca 0.40 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.75 1vsc s THR 53 Cb 0.30 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 1vsc s THR 53 CO 0.12 0.07 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.38 1vsc s SER 54 N -0.74 2.31 -0.09 3.53 0.15 0.60 -0.52 113.70 118.96 1vsc s SER 54 Ca 0.01 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.33 1vsc s SER 54 Cb -0.06 -0.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 1vsc s SER 54 CO 0.00 0.24 -0.17 -0.89 1.20 0.00 0.00 173.24 173.62 1vsc s THR 55 N -0.43 1.55 -0.35 6.45 2.01 0.20 0.14 115.64 125.20 1vsc s THR 55 Ca 0.07 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1vsc s THR 55 Cb -0.08 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.08 1vsc s THR 55 CO -0.01 0.45 0.16 -0.22 -0.69 0.00 0.00 174.62 174.32 1vsc s LEU 56 N 0.58 4.50 -0.26 4.42 2.96 0.50 -0.55 118.68 130.83 1vsc s LEU 56 Ca -0.15 -0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 52.69 1vsc s LEU 56 Cb -0.17 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1vsc s LEU 56 CO 0.05 -0.34 0.12 -0.89 -1.32 0.00 0.00 176.35 173.97 1vsc s THR 57 N 1.51 4.71 -0.36 3.68 2.01 -0.09 -0.40 115.64 126.70 1vsc s THR 57 Ca 0.01 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1vsc s THR 57 Cb -0.19 -3.22 0.10 0.00 0.01 0.00 0.00 72.50 69.20 1vsc s THR 57 CO 0.05 0.30 0.10 -0.04 -0.69 0.00 0.00 174.62 174.34 1vsc s MET 58 N 1.67 1.67 -0.10 4.92 -1.94 0.75 -0.06 119.30 126.21 1vsc s MET 58 Ca 0.07 -1.84 -0.03 0.00 -1.71 0.00 0.00 55.69 52.17 1vsc s MET 58 Cb -0.15 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.41 1vsc s MET 58 CO 0.07 -0.97 0.08 1.21 -0.01 0.00 0.00 175.02 175.40 1vsc s ASN 59 N 1.20 1.60 0.25 3.03 2.47 -1.26 -0.74 114.94 121.49 1vsc s ASN 59 Ca 0.10 -0.19 -0.29 0.00 0.42 0.00 0.00 52.86 52.89 1vsc s ASN 59 Cb -0.20 -0.14 -0.09 0.00 -1.45 0.00 0.00 41.25 39.37 1vsc s ASN 59 CO -0.07 -0.29 0.94 -2.16 -3.72 0.00 0.00 177.10 171.80 1vsc s PRO 60 N 2.17 4.82 0.47 0.43 0.04 -1.26 -5.06 135.00 136.61 1vsc s PRO 60 Ca 0.04 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 1vsc s PRO 60 Cb -0.14 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 1vsc s PRO 60 CO -0.06 0.49 1.23 0.54 0.04 0.00 0.00 177.00 179.25 1vsc s VAL 61 N -1.23 2.77 0.00 -0.36 0.11 0.27 -4.75 120.40 117.22 1vsc s VAL 61 Ca 0.42 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1vsc s VAL 61 Cb -0.25 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1vsc s VAL 61 CO 0.31 0.01 0.00 -0.24 -3.33 0.00 0.00 175.10 171.85 1vsc n SER 62 N -0.52 0.00 0.31 3.54 2.88 -1.26 -0.59 113.62 117.97 1vsc n SER 62 Ca 0.07 -0.96 0.19 0.00 -1.33 0.00 0.00 58.87 56.84 1vsc n SER 62 Cb 0.47 0.00 0.97 0.00 -0.75 0.00 0.00 64.21 64.90 1vsc n SER 62 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1vsc h PHE 63 N 0.96 0.00 -0.04 0.66 0.04 -1.95 -1.14 116.94 115.47 1vsc h PHE 63 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1vsc h PHE 63 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1vsc h PHE 63 CO 0.00 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 1vsc n GLY 64 N -0.82 -0.60 0.61 -1.45 0.00 -1.26 -2.90 105.19 98.78 1vsc n GLY 64 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.82 1vsc n GLY 64 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vsc n ASN 65 N -0.49 2.51 -4.50 1.61 5.03 -0.43 -4.69 115.26 114.30 1vsc n ASN 65 Ca 0.18 -1.74 -0.42 0.00 0.87 0.00 0.00 54.58 53.46 1vsc n ASN 65 Cb 0.17 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 1vsc n ASN 65 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1vsc s GLU 66 N -1.04 3.57 0.32 3.52 2.12 -1.14 -4.67 118.70 121.38 1vsc s GLU 66 Ca 0.20 -1.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.03 1vsc s GLU 66 Cb 0.12 -5.08 0.03 0.00 0.26 0.00 0.00 34.13 29.46 1vsc s GLU 66 CO 0.17 -1.98 0.57 0.72 -0.54 0.00 0.00 175.26 174.20 1vsc n HIS 67 N 7.70 -1.83 -3.59 5.30 8.25 -1.20 -5.01 115.22 124.84 1vsc n HIS 67 Ca 0.27 -1.71 -0.38 0.00 -0.26 0.00 0.00 57.72 55.64 1vsc n HIS 67 Cb 0.50 0.66 -0.11 0.00 1.12 0.00 0.00 29.99 32.16 1vsc n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1vsc s SER 68 N -2.76 5.99 -0.22 0.41 0.01 -1.26 -1.00 113.70 114.88 1vsc s SER 68 Ca 0.17 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.24 1vsc s SER 68 Cb -0.03 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 1vsc s SER 68 CO 0.13 -0.08 0.16 -0.31 0.41 0.00 0.00 173.24 173.55 1vsc s TYR 69 N 1.75 3.36 -0.24 2.43 2.02 0.51 -2.32 117.35 124.85 1vsc s TYR 69 Ca 0.07 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 57.02 1vsc s TYR 69 Cb -0.16 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.17 1vsc s TYR 69 CO 0.11 0.16 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.70 1vsc s LEU 70 N 0.77 3.13 -0.10 -1.29 1.43 0.13 -1.10 118.68 121.66 1vsc s LEU 70 Ca 0.08 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 1vsc s LEU 70 Cb -0.13 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1vsc s LEU 70 CO 0.02 -0.08 0.48 0.00 0.23 0.00 0.00 176.35 177.00 1vsc s THR 72 N 0.36 3.35 -0.21 0.00 2.01 -0.31 -1.65 115.64 119.19 1vsc s THR 72 Ca 0.26 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.38 1vsc s THR 72 Cb -0.16 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1vsc s THR 72 CO 0.11 0.21 0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1vsc s ALA 73 N 1.42 3.48 -0.15 7.40 0.00 0.54 -1.61 121.76 132.84 1vsc s ALA 73 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 1vsc s ALA 73 Cb -0.16 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1vsc s ALA 73 CO -0.02 0.01 -0.14 0.99 0.00 0.00 0.00 175.76 176.60 1vsc s THR 74 N 0.67 2.85 -0.20 0.00 2.01 -0.00 -0.45 115.64 120.52 1vsc s THR 74 Ca 0.05 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1vsc s THR 74 Cb -0.13 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.23 1vsc s THR 74 CO 0.01 0.51 -0.08 0.00 -0.69 0.00 0.00 174.62 174.38 1vsc n GLU 76 N 4.73 0.00 -0.27 0.00 1.02 -1.26 -0.70 120.64 124.16 1vsc n GLU 76 Ca -0.13 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1vsc n GLU 76 Cb 0.46 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.12 1vsc n GLU 76 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1vsc n SER 77 N 7.04 3.45 -4.77 1.62 7.64 -1.26 -4.93 113.62 122.42 1vsc n SER 77 Ca 0.00 -1.99 -0.37 0.00 1.01 0.00 0.00 58.87 57.52 1vsc n SER 77 Cb 0.00 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 1vsc n SER 77 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1vsc s ARG 78 N -1.01 4.11 0.02 1.43 0.52 0.12 -5.07 118.95 119.07 1vsc s ARG 78 Ca 0.37 0.19 0.07 0.00 -0.52 0.00 0.00 55.73 55.84 1vsc s ARG 78 Cb 0.19 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 1vsc s ARG 78 CO 0.25 0.38 -0.20 -1.59 0.02 0.00 0.00 175.30 174.16 1vsc s LYS 79 N -0.01 2.09 0.13 3.54 -2.85 -1.26 -0.35 119.74 121.02 1vsc s LYS 79 Ca 0.19 -0.95 0.09 0.00 -1.00 0.00 0.00 55.97 54.30 1vsc s LYS 79 Cb -0.14 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 1vsc s LYS 79 CO 0.07 0.55 -0.21 -0.51 0.10 0.00 0.00 175.35 175.35 1vsc s LEU 80 N -1.15 2.34 0.12 2.77 1.43 0.40 -4.97 118.68 119.62 1vsc s LEU 80 Ca 0.13 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1vsc s LEU 80 Cb -0.10 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 1vsc s LEU 80 CO 0.03 0.05 -0.18 -1.61 0.23 0.00 0.00 176.35 174.86 1vsc s GLU 81 N -2.19 1.11 -0.28 1.70 2.02 -1.26 -0.34 118.70 119.47 1vsc s GLU 81 Ca 0.10 -1.21 -0.18 0.00 0.02 0.00 0.00 54.97 53.71 1vsc s GLU 81 Cb -0.09 -1.24 0.08 0.00 0.10 0.00 0.00 34.13 32.98 1vsc s GLU 81 CO 0.05 0.27 0.69 0.21 0.02 0.00 0.00 175.26 176.51 1vsc s LYS 82 N -2.21 0.74 0.23 1.61 2.20 -0.66 -5.01 119.74 116.64 1vsc s LYS 82 Ca 0.08 1.17 0.10 0.00 -0.36 0.00 0.00 55.97 56.96 1vsc s LYS 82 Cb -0.08 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1vsc s LYS 82 CO 0.04 -0.14 -0.12 0.20 -0.36 0.00 0.00 175.35 174.97 1vsc s GLY 83 N 1.33 1.75 -0.07 5.54 0.00 -1.26 -0.81 107.32 113.79 1vsc s GLY 83 Ca -0.08 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1vsc s GLY 83 CO -0.15 -1.71 -0.05 -0.42 0.00 0.00 0.00 173.10 170.77 1vsc s ILE 84 N -2.08 0.69 -0.25 0.90 1.01 -0.26 -4.61 121.20 116.60 1vsc s ILE 84 Ca 0.27 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 1vsc s ILE 84 Cb -0.07 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1vsc s ILE 84 CO 0.16 0.29 0.68 -1.10 0.00 0.00 0.00 174.94 174.96 1vsc s GLN 85 N 1.35 4.13 -0.22 2.79 -1.52 -0.56 -0.37 119.66 125.26 1vsc s GLN 85 Ca -0.04 0.65 -0.17 0.00 -1.95 0.00 0.00 55.36 53.86 1vsc s GLN 85 Cb -0.14 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 28.97 1vsc s GLN 85 CO -0.03 -0.44 0.48 0.08 -0.25 0.00 0.00 175.29 175.13 1vsc s VAL 86 N 2.59 5.12 0.08 1.09 1.01 -0.17 -1.09 120.40 129.03 1vsc s VAL 86 Ca 0.28 0.84 0.07 0.00 0.00 0.00 0.00 61.98 63.18 1vsc s VAL 86 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1vsc s VAL 86 CO 0.08 0.17 -0.19 -1.61 0.00 0.00 0.00 175.10 173.55 1vsc s GLU 87 N 1.80 1.11 0.08 2.72 2.02 0.26 -3.28 118.70 123.42 1vsc s GLU 87 Ca 0.21 -1.03 0.07 0.00 0.02 0.00 0.00 54.97 54.24 1vsc s GLU 87 Cb -0.15 -1.28 -0.03 0.00 0.10 0.00 0.00 34.13 32.77 1vsc s GLU 87 CO 0.09 0.30 -0.18 0.96 0.02 0.00 0.00 175.26 176.45 1vsc s ILE 88 N -1.06 1.47 0.10 -1.63 -4.36 -1.25 0.94 121.20 115.42 1vsc s ILE 88 Ca 0.05 -1.40 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1vsc s ILE 88 Cb -0.09 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 1vsc s ILE 88 CO 0.03 -0.09 -0.13 -0.72 0.24 0.00 0.00 174.94 174.27 1vsc s TYR 89 N -1.15 1.27 -0.17 1.37 1.13 0.84 -4.32 117.35 116.32 1vsc s TYR 89 Ca 0.03 -0.55 -0.06 0.00 -1.41 0.00 0.00 57.07 55.09 1vsc s TYR 89 Cb -0.10 -0.68 0.08 0.00 -1.10 0.00 0.00 41.96 40.16 1vsc s TYR 89 CO 0.03 0.09 0.34 0.45 -2.51 0.00 0.00 175.55 173.95 1vsc s SER 90 N -2.24 0.07 -0.43 -0.18 0.15 0.21 -1.53 113.70 109.74 1vsc s SER 90 Ca 0.05 0.76 0.08 0.00 0.70 0.00 0.00 55.95 57.53 1vsc s SER 90 Cb -0.06 1.03 0.31 0.00 -1.71 0.00 0.00 66.02 65.59 1vsc s SER 90 CO 0.02 -0.24 0.93 0.33 1.20 0.00 0.00 173.24 175.48 1vsc n PHE 91 N 5.37 -1.92 0.63 3.44 7.35 -1.26 0.18 117.46 131.24 1vsc n PHE 91 Ca -0.07 -2.64 0.12 0.00 -0.76 0.00 0.00 57.45 54.09 1vsc n PHE 91 Cb 0.50 0.91 0.18 0.00 0.35 0.00 0.00 39.48 41.41 1vsc n PHE 91 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1vsc n PRO 92 N 0.63 0.25 -4.55 -7.13 -0.04 -1.26 -4.95 135.00 117.95 1vsc n PRO 92 Ca 0.13 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1vsc n PRO 92 Cb 0.66 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1vsc n PRO 92 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vsc s LYS 93 N -3.15 1.10 0.68 0.54 1.02 -1.26 -5.13 119.74 113.53 1vsc s LYS 93 Ca 0.07 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 1vsc s LYS 93 Cb 0.14 -1.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1vsc s LYS 93 CO 0.72 0.29 1.12 -0.51 -0.92 0.00 0.00 175.35 176.05 1vsc s ASP 94 N -0.69 4.91 1.11 2.83 1.01 -1.26 -4.65 116.67 119.91 1vsc s ASP 94 Ca 0.04 2.05 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 1vsc s ASP 94 Cb -0.07 -2.56 0.24 0.00 1.01 0.00 0.00 42.92 41.55 1vsc s ASP 94 CO 0.00 -1.77 1.10 -2.16 0.21 0.00 0.00 175.17 172.55 1vsc s PRO 95 N -4.11 -0.44 -0.03 8.23 0.04 -1.26 -4.66 135.00 132.77 1vsc s PRO 95 Ca 0.68 0.23 0.02 0.00 0.04 0.00 0.00 61.00 61.96 1vsc s PRO 95 Cb -0.22 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1vsc s PRO 95 CO 0.43 -3.25 -0.06 -1.21 0.04 0.00 0.00 177.00 172.95 1vsc s GLU 96 N -5.16 0.74 -0.11 4.56 2.02 0.61 -4.53 118.70 116.84 1vsc s GLU 96 Ca 0.68 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.43 1vsc s GLU 96 Cb -0.15 -0.73 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 1vsc s GLU 96 CO 0.57 0.02 0.14 0.42 0.02 0.00 0.00 175.26 176.43 1vsc s ILE 97 N 0.44 5.42 -0.03 -1.63 1.01 -1.26 -1.78 121.20 123.36 1vsc s ILE 97 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1vsc s ILE 97 Cb -0.10 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 39.03 1vsc s ILE 97 CO 0.00 0.59 0.06 -2.28 0.00 0.00 0.00 174.94 173.30 1vsc s HIS 98 N -1.05 -0.01 0.05 3.97 5.65 -0.14 -4.97 115.29 118.78 1vsc s HIS 98 Ca 0.16 0.21 0.02 0.00 0.25 0.00 0.00 55.06 55.70 1vsc s HIS 98 Cb -0.12 -0.21 -0.04 0.00 -1.18 0.00 0.00 32.58 31.03 1vsc s HIS 98 CO 0.05 -0.11 0.05 -0.51 -0.65 0.00 0.00 174.74 173.58 1vsc s LEU 99 N 1.13 3.72 0.13 8.88 1.43 -1.26 -0.03 118.68 132.68 1vsc s LEU 99 Ca -0.09 -0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1vsc s LEU 99 Cb -0.13 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1vsc s LEU 99 CO -0.04 0.21 1.51 -1.28 0.23 0.00 0.00 176.35 176.99 1vsc h SER 100 N 3.68 0.84 -0.11 2.29 0.87 -1.34 -3.49 113.55 116.29 1vsc h SER 100 Ca -0.48 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1vsc h SER 100 Cb 1.17 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1vsc h SER 100 CO 0.63 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 1vsc n GLY 101 N -0.09 3.10 3.91 5.77 0.00 -1.26 -5.00 105.19 111.63 1vsc n GLY 101 Ca -0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1vsc n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vsc s PRO 102 N 0.69 3.50 0.21 1.61 0.04 -1.26 -5.03 135.00 134.76 1vsc s PRO 102 Ca 0.00 0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1vsc s PRO 102 Cb 0.00 -2.42 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 1vsc s PRO 102 CO 0.00 -0.17 1.61 -0.51 0.04 0.00 0.00 177.00 177.97 1vsc s LEU 103 N -4.68 4.37 -0.08 -3.56 1.02 -1.26 -4.92 118.68 109.57 1vsc s LEU 103 Ca 0.46 2.77 -0.03 0.00 0.02 0.00 0.00 54.13 57.35 1vsc s LEU 103 Cb -0.10 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.55 1vsc s LEU 103 CO 0.43 -0.88 0.17 -1.61 0.02 0.00 0.00 176.35 174.49 1vsc s GLU 104 N 0.70 0.09 -0.36 1.70 2.02 -1.26 -3.92 118.70 117.66 1vsc s GLU 104 Ca 0.69 0.49 -0.41 0.00 0.02 0.00 0.00 54.97 55.77 1vsc s GLU 104 Cb -0.46 -0.19 -0.16 0.00 0.10 0.00 0.00 34.13 33.42 1vsc s GLU 104 CO 0.36 -0.22 1.89 0.00 0.02 0.00 0.00 175.26 177.31 1vsc n ALA 105 N 4.69 0.02 -0.98 5.21 0.00 -1.26 -0.10 120.51 128.08 1vsc n ALA 105 Ca -0.17 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1vsc n ALA 105 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1vsc n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vsc n GLY 106 N 5.24 0.72 3.26 0.00 0.00 -1.26 -5.01 105.19 108.14 1vsc n GLY 106 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1vsc n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vsc s LYS 107 N -0.11 2.71 0.30 1.61 2.47 0.85 -5.05 119.74 122.52 1vsc s LYS 107 Ca 0.00 -1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 53.02 1vsc s LYS 107 Cb 0.00 -3.31 -0.11 0.00 -1.46 0.00 0.00 37.83 32.95 1vsc s LYS 107 CO 0.00 -0.57 1.46 -1.25 0.16 0.00 0.00 175.35 175.15 1vsc s PRO 108 N 1.38 4.22 0.13 4.03 0.04 -1.26 -4.36 135.00 139.18 1vsc s PRO 108 Ca -0.01 2.41 0.07 0.00 0.04 0.00 0.00 61.00 63.50 1vsc s PRO 108 Cb -0.19 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1vsc s PRO 108 CO 0.01 -0.45 -0.03 0.96 0.04 0.00 0.00 177.00 177.52 1vsc s ILE 109 N -0.44 3.67 -0.19 0.56 -4.36 0.15 -4.90 121.20 115.69 1vsc s ILE 109 Ca 0.57 -1.27 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 1vsc s ILE 109 Cb -0.44 -2.78 -0.00 0.00 1.25 0.00 0.00 42.46 40.49 1vsc s ILE 109 CO 0.50 0.02 -0.09 -0.89 0.24 0.00 0.00 174.94 174.71 1vsc s THR 110 N -1.46 3.04 -0.18 8.37 2.01 -1.26 -0.76 115.64 125.40 1vsc s THR 110 Ca 0.25 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 1vsc s THR 110 Cb -0.10 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1vsc s THR 110 CO 0.17 0.47 0.15 -0.69 -0.69 0.00 0.00 174.62 174.03 1vsc s VAL 111 N 1.17 5.41 -0.25 3.82 1.01 0.20 -0.80 120.40 130.96 1vsc s VAL 111 Ca 0.02 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1vsc s VAL 111 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1vsc s VAL 111 CO -0.03 0.46 -0.04 -0.75 0.00 0.00 0.00 175.10 174.74 1vsc s LYS 112 N 0.18 2.95 -0.23 2.72 2.20 0.96 -1.60 119.74 126.92 1vsc s LYS 112 Ca 0.10 -0.91 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 1vsc s LYS 112 Cb -0.11 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1vsc s LYS 112 CO -0.01 -0.37 -0.03 0.00 -0.36 0.00 0.00 175.35 174.58 1vsc s SER 114 N 1.48 1.24 -0.01 0.00 1.04 -0.74 -0.05 113.70 116.67 1vsc s SER 114 Ca 0.05 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1vsc s SER 114 Cb -0.15 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1vsc s SER 114 CO -0.03 -0.45 -0.04 -0.69 0.98 0.00 0.00 173.24 173.01 1vsc s VAL 115 N -3.58 0.38 -0.03 5.02 1.01 -0.16 -0.28 120.40 122.77 1vsc s VAL 115 Ca 0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1vsc s VAL 115 Cb 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1vsc s VAL 115 CO -0.04 0.13 0.25 0.00 0.00 0.00 0.00 175.10 175.44 1vsc s ALA 116 N 0.15 3.84 -1.46 5.51 0.00 -1.26 -1.64 121.76 126.90 1vsc s ALA 116 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1vsc s ALA 116 Cb -0.05 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 21.05 1vsc s ALA 116 CO -0.00 0.63 0.78 -0.25 0.00 0.00 0.00 175.76 176.91 1vsc n ASP 117 N 1.43 -2.78 -4.72 0.00 8.00 -1.25 -4.43 116.55 112.79 1vsc n ASP 117 Ca -0.14 -0.86 -0.35 0.00 0.71 0.00 0.00 54.79 54.15 1vsc n ASP 117 Cb 0.53 -3.67 -0.08 0.00 -0.02 0.00 0.00 41.12 37.88 1vsc n ASP 117 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1vsc s VAL 118 N -3.52 5.11 -0.09 2.53 0.11 -1.25 -4.01 120.40 119.27 1vsc s VAL 118 Ca 0.36 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.41 1vsc s VAL 118 Cb -0.19 -3.28 0.02 0.00 -1.53 0.00 0.00 36.38 31.40 1vsc s VAL 118 CO 0.85 0.50 0.23 -0.47 -3.33 0.00 0.00 175.10 172.88 1vsc s TYR 119 N -0.03 -0.26 0.22 1.54 5.04 0.46 -4.42 117.35 119.90 1vsc s TYR 119 Ca 0.08 0.63 -0.12 0.00 -2.44 0.00 0.00 57.07 55.22 1vsc s TYR 119 Cb -0.12 0.08 -0.07 0.00 0.35 0.00 0.00 41.96 42.20 1vsc s TYR 119 CO 0.00 -0.13 0.58 -1.25 -1.34 0.00 0.00 175.55 173.41 1vsc s PRO 120 N 0.22 3.90 0.25 4.97 0.04 -1.26 0.64 135.00 143.76 1vsc s PRO 120 Ca -0.01 0.41 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1vsc s PRO 120 Cb -0.02 -2.70 0.30 0.00 0.04 0.00 0.00 34.50 32.11 1vsc s PRO 120 CO -0.00 0.34 1.76 0.74 0.04 0.00 0.00 177.00 179.88 1vsc h PHE 121 N 2.82 0.92 0.00 0.56 0.04 -1.87 -2.63 116.94 116.77 1vsc h PHE 121 Ca -0.48 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.18 1vsc h PHE 121 Cb 1.18 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1vsc h PHE 121 CO 0.63 0.81 0.00 -0.40 -0.60 0.00 0.00 178.31 178.75 1vsc n ASP 122 N -4.23 0.00 -0.11 2.17 5.68 -1.12 -1.27 116.55 117.68 1vsc n ASP 122 Ca 0.03 -0.39 0.07 0.00 -0.50 0.00 0.00 54.79 54.00 1vsc n ASP 122 Cb 0.28 -0.02 0.10 0.00 -1.14 0.00 0.00 41.12 40.34 1vsc n ASP 122 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1vsc n ARG 123 N -1.02 1.37 -4.64 0.11 1.74 -0.99 -4.91 116.66 108.31 1vsc n ARG 123 Ca 0.10 -2.17 -0.33 0.00 -0.77 0.00 0.00 57.85 54.68 1vsc n ARG 123 Cb 0.05 -1.28 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 1vsc n ARG 123 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1vsc s LEU 124 N -2.17 2.93 -0.07 0.55 2.96 -0.39 -0.48 118.68 122.00 1vsc s LEU 124 Ca 0.22 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1vsc s LEU 124 Cb 0.20 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.23 1vsc s LEU 124 CO 0.02 0.18 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.43 1vsc s GLU 125 N 0.28 1.53 -0.21 1.98 2.12 0.15 -3.81 118.70 120.74 1vsc s GLU 125 Ca -0.07 -0.33 -0.08 0.00 0.36 0.00 0.00 54.97 54.85 1vsc s GLU 125 Cb -0.15 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.83 1vsc s GLU 125 CO 0.04 -0.07 0.09 0.42 -0.54 0.00 0.00 175.26 175.21 1vsc s ILE 126 N 0.98 4.87 -0.12 -3.70 1.01 -0.24 -1.15 121.20 122.84 1vsc s ILE 126 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1vsc s ILE 126 Cb -0.15 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1vsc s ILE 126 CO 0.00 0.41 -0.05 -1.81 0.00 0.00 0.00 174.94 173.49 1vsc s ASP 127 N 0.74 4.69 -0.26 3.58 1.01 0.29 -0.50 116.67 126.22 1vsc s ASP 127 Ca 0.05 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.22 1vsc s ASP 127 Cb -0.13 -1.58 0.06 0.00 1.01 0.00 0.00 42.92 42.28 1vsc s ASP 127 CO 0.02 0.23 -0.09 -0.22 0.21 0.00 0.00 175.17 175.32 1vsc s LEU 128 N -0.03 3.49 0.14 1.23 2.96 0.10 -0.47 118.68 126.10 1vsc s LEU 128 Ca 0.00 -1.35 0.07 0.00 -0.22 0.00 0.00 54.13 52.63 1vsc s LEU 128 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1vsc s LEU 128 CO 0.03 -0.20 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.09 1vsc s LEU 129 N 1.13 3.32 -0.23 -0.68 1.02 0.12 -0.39 118.68 122.97 1vsc s LEU 129 Ca -0.08 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.76 1vsc s LEU 129 Cb -0.20 -2.01 0.05 0.00 0.02 0.00 0.00 46.19 44.05 1vsc s LEU 129 CO -0.05 0.12 -0.14 -0.75 0.02 0.00 0.00 176.35 175.56 1vsc s LYS 130 N -2.67 2.44 4.44 1.70 2.20 0.12 0.73 119.74 128.70 1vsc s LYS 130 Ca 0.26 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1vsc s LYS 130 Cb -0.10 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1vsc s LYS 130 CO 0.18 -0.44 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1vsc n GLY 131 N 4.52 1.05 1.35 5.54 0.00 -0.11 -1.39 105.19 116.15 1vsc n GLY 131 Ca -0.16 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.15 1vsc n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vsc n ASP 132 N 2.30 3.97 -4.62 1.61 9.92 -1.26 -4.75 116.55 123.71 1vsc n ASP 132 Ca 0.00 -2.41 -0.34 0.00 -0.53 0.00 0.00 54.79 51.51 1vsc n ASP 132 Cb 0.00 -0.53 -0.10 0.00 -0.64 0.00 0.00 41.12 39.85 1vsc n ASP 132 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1vsc s HIS 133 N -1.87 3.24 -0.41 1.24 2.46 -0.49 -5.07 115.29 114.38 1vsc s HIS 133 Ca 0.40 0.05 -0.29 0.00 0.47 0.00 0.00 55.06 55.69 1vsc s HIS 133 Cb 0.27 -2.08 0.02 0.00 -0.13 0.00 0.00 32.58 30.67 1vsc s HIS 133 CO 0.18 0.13 1.11 -1.17 -2.47 0.00 0.00 174.74 172.53 1vsc s LEU 134 N 0.40 3.76 -0.02 8.88 2.96 -1.26 0.13 118.68 133.53 1vsc s LEU 134 Ca 0.03 0.72 -0.18 0.00 -0.22 0.00 0.00 54.13 54.48 1vsc s LEU 134 Cb -0.12 -3.55 -0.33 0.00 0.50 0.00 0.00 46.19 42.69 1vsc s LEU 134 CO 0.00 -1.10 0.89 0.24 -1.32 0.00 0.00 176.35 175.07 1vsc h MET 135 N 8.75 0.42 -1.71 1.98 2.86 -1.06 -3.48 114.93 122.69 1vsc h MET 135 Ca -0.22 -0.72 0.03 0.00 -2.06 0.00 0.00 59.70 56.73 1vsc h MET 135 Cb 1.06 0.27 -0.23 0.00 0.06 0.00 0.00 31.60 32.76 1vsc h MET 135 CO 1.09 1.35 0.40 0.21 1.06 0.00 0.00 176.91 181.02 1vsc s LYS 136 N -2.53 0.69 0.09 1.72 2.20 -1.04 -5.02 119.74 115.85 1vsc s LYS 136 Ca -0.12 0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1vsc s LYS 136 Cb 0.03 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1vsc s LYS 136 CO 0.88 -0.17 -0.16 -1.54 -0.36 0.00 0.00 175.35 174.00 1vsc s SER 137 N -0.59 2.00 -0.01 1.43 1.04 -1.26 0.03 113.70 116.33 1vsc s SER 137 Ca -0.02 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1vsc s SER 137 Cb -0.02 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.01 1vsc s SER 137 CO 0.01 -0.04 -0.08 -1.58 0.98 0.00 0.00 173.24 172.53 1vsc s GLN 138 N -1.89 0.74 0.25 4.02 2.00 0.35 -4.97 119.66 120.15 1vsc s GLN 138 Ca 0.02 -0.30 0.09 0.00 -2.00 0.00 0.00 55.36 53.18 1vsc s GLN 138 Cb -0.10 -0.71 -0.05 0.00 0.80 0.00 0.00 33.01 32.95 1vsc s GLN 138 CO 0.03 0.16 -0.15 -1.21 -0.50 0.00 0.00 175.29 173.62 1vsc s GLU 139 N -0.09 1.50 -0.48 1.67 2.02 -1.26 -1.08 118.70 120.98 1vsc s GLU 139 Ca 0.02 -1.69 0.03 0.00 0.02 0.00 0.00 54.97 53.35 1vsc s GLU 139 Cb -0.05 -1.39 0.15 0.00 0.10 0.00 0.00 34.13 32.94 1vsc s GLU 139 CO -0.00 0.22 0.32 -0.06 0.02 0.00 0.00 175.26 175.76 1vsc s PHE 140 N -2.79 1.97 -0.18 1.61 0.40 -1.25 -4.88 117.98 112.86 1vsc s PHE 140 Ca 0.26 -2.53 0.04 0.00 -0.60 0.00 0.00 56.93 54.11 1vsc s PHE 140 Cb -0.02 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1vsc s PHE 140 CO 0.11 -0.75 0.17 1.28 0.70 0.00 0.00 175.22 176.73 1vsc n LEU 141 N 3.06 0.18 -0.03 -0.37 4.77 -1.26 -2.80 117.00 120.55 1vsc n LEU 141 Ca 0.17 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 1vsc n LEU 141 Cb 0.39 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1vsc n LEU 141 CO 0.20 0.05 -0.81 -0.62 -1.33 0.00 0.00 177.39 174.87 1vsc n GLU 142 N -1.17 0.71 -1.77 3.23 1.02 -1.26 -4.52 120.64 116.89 1vsc n GLU 142 Ca 0.01 0.32 -0.19 0.00 -0.02 0.00 0.00 57.16 57.27 1vsc n GLU 142 Cb 0.07 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 1vsc n GLU 142 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1vsc s ASP 143 N -6.99 4.41 0.00 1.62 1.47 -1.26 -4.83 116.67 111.09 1vsc s ASP 143 Ca -0.25 -0.24 0.00 0.00 1.18 0.00 0.00 52.55 53.24 1vsc s ASP 143 Cb 0.07 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 1vsc s ASP 143 CO 0.72 -3.40 0.00 0.00 0.68 0.00 0.00 175.17 173.16 1vsc n ALA 144 N 16.71 0.00 -0.90 2.11 0.00 -1.26 -4.37 120.51 132.79 1vsc n ALA 144 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 1vsc n ALA 144 Cb 0.45 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.03 1vsc n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vsc n ASP 145 N 0.00 4.25 -4.73 0.00 8.00 -1.26 -4.90 116.55 117.91 1vsc n ASP 145 Ca 0.00 -3.37 -0.41 0.00 0.71 0.00 0.00 54.79 51.72 1vsc n ASP 145 Cb 0.00 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 1vsc n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vsc s ARG 146 N -2.81 4.62 -0.04 -1.24 1.70 -1.26 -4.88 118.95 115.04 1vsc s ARG 146 Ca 0.48 1.58 0.06 0.00 -0.47 0.00 0.00 55.73 57.38 1vsc s ARG 146 Cb 0.40 -3.34 -0.08 0.00 -0.57 0.00 0.00 34.95 31.35 1vsc s ARG 146 CO 0.07 0.09 0.06 1.63 -1.08 0.00 0.00 175.30 176.08 1vsc n LYS 147 N 2.85 2.06 -0.76 3.89 5.02 -1.26 -4.98 118.16 124.98 1vsc n LYS 147 Ca 0.03 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 1vsc n LYS 147 Cb 0.48 -1.15 0.14 0.00 -0.02 0.00 0.00 35.03 34.47 1vsc n LYS 147 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vsc n SER 148 N -2.05 -2.04 -2.18 4.39 2.88 -1.26 -4.87 113.62 108.49 1vsc n SER 148 Ca -0.07 0.23 -0.19 0.00 -1.33 0.00 0.00 58.87 57.52 1vsc n SER 148 Cb 0.52 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.73 1vsc n SER 148 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1vsc n LEU 149 N -1.60 5.97 -4.73 2.46 4.77 -1.26 -4.97 117.00 117.65 1vsc n LEU 149 Ca 0.06 -3.55 -0.31 0.00 -0.03 0.00 0.00 56.01 52.18 1vsc n LEU 149 Cb 0.55 -1.27 0.12 0.00 -2.33 0.00 0.00 43.42 40.50 1vsc n LEU 149 CO 0.51 1.61 0.69 -1.61 -1.33 0.00 0.00 177.39 177.25 1vsc s GLU 150 N -0.68 1.68 -0.12 3.23 2.02 -1.26 -3.97 118.70 119.61 1vsc s GLU 150 Ca 0.54 1.29 -0.23 0.00 0.02 0.00 0.00 54.97 56.60 1vsc s GLU 150 Cb 0.32 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.69 1vsc s GLU 150 CO -0.10 -2.08 0.69 0.99 0.02 0.00 0.00 175.26 174.77 1vsc s THR 151 N -2.80 5.02 -0.04 3.63 2.01 -1.26 -4.03 115.64 118.18 1vsc s THR 151 Ca 0.63 1.39 -0.10 0.00 0.31 0.00 0.00 61.69 63.92 1vsc s THR 151 Cb -0.19 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1vsc s THR 151 CO 0.57 0.19 0.28 -0.54 -0.69 0.00 0.00 174.62 174.43 1vsc s LYS 152 N 1.27 3.66 0.03 4.92 -0.14 -0.65 -4.93 119.74 123.90 1vsc s LYS 152 Ca 0.35 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 55.05 1vsc s LYS 152 Cb -0.17 -3.16 -0.03 0.00 -1.68 0.00 0.00 37.83 32.79 1vsc s LYS 152 CO 0.15 0.71 -0.04 -1.12 -0.76 0.00 0.00 175.35 174.29 1vsc s SER 153 N -1.24 0.40 -0.04 2.83 0.01 -1.26 -0.99 113.70 113.41 1vsc s SER 153 Ca 0.22 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.92 1vsc s SER 153 Cb -0.14 0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1vsc s SER 153 CO 0.11 -0.35 -0.22 -0.22 0.41 0.00 0.00 173.24 172.96 1vsc s LEU 154 N -1.82 2.26 -0.04 2.44 2.96 0.93 -4.99 118.68 120.42 1vsc s LEU 154 Ca -0.10 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1vsc s LEU 154 Cb -0.06 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.23 1vsc s LEU 154 CO -0.03 0.30 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.64 1vsc s GLU 155 N -0.49 0.88 -0.01 1.98 2.02 -1.26 -0.39 118.70 121.42 1vsc s GLU 155 Ca 0.06 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.89 1vsc s GLU 155 Cb -0.11 -0.85 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1vsc s GLU 155 CO 0.01 -0.03 0.01 0.54 0.02 0.00 0.00 175.26 175.81 1vsc s VAL 156 N 0.71 0.02 -0.10 2.63 0.11 -0.63 -5.00 120.40 118.14 1vsc s VAL 156 Ca -0.10 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1vsc s VAL 156 Cb -0.13 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1vsc s VAL 156 CO 0.01 0.07 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.93 1vsc s THR 157 N 0.70 4.03 0.10 5.04 2.01 -1.26 -0.63 115.64 125.63 1vsc s THR 157 Ca -0.06 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1vsc s THR 157 Cb -0.09 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.74 1vsc s THR 157 CO -0.02 0.57 0.30 0.72 -0.69 0.00 0.00 174.62 175.51 1vsc s PHE 158 N -0.52 -0.04 -0.24 4.92 -0.71 0.06 -4.98 117.98 116.47 1vsc s PHE 158 Ca 0.08 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.59 1vsc s PHE 158 Cb -0.12 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 1vsc s PHE 158 CO 0.02 -0.62 0.07 0.99 -1.34 0.00 0.00 175.22 174.35 1vsc s THR 159 N -3.71 4.41 0.05 -4.49 2.01 -1.26 0.32 115.64 112.96 1vsc s THR 159 Ca 0.03 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1vsc s THR 159 Cb 0.03 -3.05 -0.07 0.00 0.01 0.00 0.00 72.50 69.41 1vsc s THR 159 CO -0.11 0.35 1.55 -2.84 -0.69 0.00 0.00 174.62 172.88 1vsc s PRO 160 N 1.44 4.23 0.23 4.92 0.02 -1.26 -5.00 135.00 139.59 1vsc s PRO 160 Ca 0.06 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.30 1vsc s PRO 160 Cb -0.15 -3.56 -0.03 0.00 0.02 0.00 0.00 34.50 30.78 1vsc s PRO 160 CO 0.04 -0.66 0.37 0.14 -0.33 0.00 0.00 177.00 176.56 1vsc s VAL 161 N 2.43 5.25 0.31 3.83 -7.23 -1.26 -4.41 120.40 119.31 1vsc s VAL 161 Ca 0.70 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 60.14 1vsc s VAL 161 Cb -0.37 -3.82 0.30 0.00 0.56 0.00 0.00 36.38 33.05 1vsc s VAL 161 CO 0.30 -0.30 1.72 -0.29 -0.31 0.00 0.00 175.10 176.22 1vsc h ILE 162 N 1.24 0.52 0.00 -0.62 6.09 -2.01 -0.85 117.51 121.87 1vsc h ILE 162 Ca -0.51 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1vsc h ILE 162 Cb 1.22 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1vsc h ILE 162 CO 0.63 0.10 0.00 -0.08 -3.07 0.00 0.00 178.15 175.73 1vsc h GLU 163 N 0.52 0.00 0.00 2.19 4.81 -2.02 -2.93 114.58 117.14 1vsc h GLU 163 Ca 0.62 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1vsc h GLU 163 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1vsc h GLU 163 CO -0.49 0.00 -0.31 -0.44 -0.73 0.00 0.00 179.01 177.04 1vsc h ASP 164 N 0.00 0.00 -2.06 1.04 3.32 -1.54 -3.45 116.42 113.74 1vsc h ASP 164 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1vsc h ASP 164 Cb 0.18 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.77 1vsc h ASP 164 CO 0.00 0.31 0.92 -0.38 -1.72 0.00 0.00 179.24 178.37 1vsc n ILE 165 N -3.25 0.30 -0.69 0.35 5.41 -1.11 -0.44 119.36 119.93 1vsc n ILE 165 Ca 0.02 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1vsc n ILE 165 Cb 0.59 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 1vsc n ILE 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1vsc n GLY 166 N 3.88 0.81 3.87 7.39 0.00 0.10 -5.04 105.19 116.20 1vsc n GLY 166 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1vsc n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vsc s LYS 167 N -0.31 3.79 -0.24 1.61 1.02 0.42 -4.84 119.74 121.18 1vsc s LYS 167 Ca 0.00 0.49 -0.07 0.00 0.02 0.00 0.00 55.97 56.41 1vsc s LYS 167 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1vsc s LYS 167 CO 0.00 -0.04 0.05 0.08 -0.92 0.00 0.00 175.35 174.52 1vsc s VAL 168 N -2.37 4.23 -0.02 3.17 1.01 -1.26 -1.13 120.40 124.03 1vsc s VAL 168 Ca 0.52 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1vsc s VAL 168 Cb -0.10 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1vsc s VAL 168 CO 0.31 0.36 1.10 -0.76 0.00 0.00 0.00 175.10 176.11 1vsc s LEU 169 N 1.46 4.32 -0.15 3.92 1.43 0.90 -0.93 118.68 129.64 1vsc s LEU 169 Ca 0.05 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1vsc s LEU 169 Cb -0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1vsc s LEU 169 CO 0.03 -0.44 -0.20 -0.69 0.23 0.00 0.00 176.35 175.28 1vsc s VAL 170 N 1.53 2.21 -0.23 -1.59 1.01 0.22 -1.31 120.40 122.24 1vsc s VAL 170 Ca 0.54 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1vsc s VAL 170 Cb -0.24 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1vsc s VAL 170 CO 0.25 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.86 1vsc s ARG 172 N 1.47 3.10 -0.23 0.00 0.52 0.38 -0.03 118.95 124.15 1vsc s ARG 172 Ca 0.05 -0.85 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1vsc s ARG 172 Cb -0.15 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.95 1vsc s ARG 172 CO -0.03 0.18 0.01 0.00 0.02 0.00 0.00 175.30 175.48 1vsc s ALA 173 N 0.36 2.97 -0.14 2.13 0.00 -0.60 0.10 121.76 126.59 1vsc s ALA 173 Ca -0.17 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.67 1vsc s ALA 173 Cb -0.18 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1vsc s ALA 173 CO 0.08 -0.41 -0.18 0.15 0.00 0.00 0.00 175.76 175.40 1vsc s LYS 174 N 1.46 2.63 -0.21 0.00 1.02 -0.30 -1.92 119.74 122.42 1vsc s LYS 174 Ca 0.05 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1vsc s LYS 174 Cb -0.15 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1vsc s LYS 174 CO 0.00 -0.10 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.13 1vsc s LEU 175 N 1.07 3.00 -1.18 3.17 2.96 0.35 -0.67 118.68 127.37 1vsc s LEU 175 Ca -0.03 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1vsc s LEU 175 Cb -0.14 -1.76 0.21 0.00 0.50 0.00 0.00 46.19 44.99 1vsc s LEU 175 CO -0.05 0.01 1.37 1.41 -1.32 0.00 0.00 176.35 177.76 1vsc n HIS 176 N 4.63 4.84 -0.01 5.38 8.25 0.37 -0.51 115.22 138.17 1vsc n HIS 176 Ca -0.18 -3.47 -0.18 0.00 -0.26 0.00 0.00 57.72 53.63 1vsc n HIS 176 Cb 0.51 -1.99 -0.08 0.00 1.12 0.00 0.00 29.99 29.55 1vsc n HIS 176 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vsc h ILE 177 N 4.22 1.29 -3.58 1.59 2.04 -1.95 -3.42 117.51 117.70 1vsc h ILE 177 Ca 0.28 -2.00 -0.71 0.00 1.00 0.00 0.00 64.86 63.43 1vsc h ILE 177 Cb 0.84 2.10 -0.24 0.00 -0.74 0.00 0.00 36.82 38.78 1vsc h ILE 177 CO 1.20 0.63 -0.51 -0.62 0.00 0.00 0.00 178.15 178.85 1vsc s ASP 178 N -7.07 5.76 0.18 1.72 -1.08 -1.26 -4.97 116.67 109.96 1vsc s ASP 178 Ca -0.11 -0.97 0.23 0.00 -0.52 0.00 0.00 52.55 51.18 1vsc s ASP 178 Cb 0.08 -2.04 0.90 0.00 -1.46 0.00 0.00 42.92 40.40 1vsc s ASP 178 CO 0.90 -0.39 1.69 1.21 0.52 0.00 0.00 175.17 179.10 1vsc n GLU 179 N 5.01 0.16 -0.23 4.34 4.07 -1.26 -2.76 120.64 129.96 1vsc n GLU 179 Ca -0.12 0.32 0.09 0.00 -0.06 0.00 0.00 57.16 57.39 1vsc n GLU 179 Cb 0.46 -1.77 0.24 0.00 -0.06 0.00 0.00 31.44 30.32 1vsc n GLU 179 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1vsc n MET 180 N -2.06 2.16 -4.86 5.31 2.81 -1.26 -4.86 117.12 114.37 1vsc n MET 180 Ca 0.03 -1.80 -0.33 0.00 -1.81 0.00 0.00 57.70 53.80 1vsc n MET 180 Cb 0.27 -1.41 -0.16 0.00 -0.71 0.00 0.00 33.22 31.21 1vsc n MET 180 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1vsc s ASP 181 N -1.10 3.57 0.36 7.83 -1.08 -1.11 -5.01 116.67 120.13 1vsc s ASP 181 Ca 0.34 -0.46 0.17 0.00 -0.52 0.00 0.00 52.55 52.09 1vsc s ASP 181 Cb 0.18 -1.52 0.67 0.00 -1.46 0.00 0.00 42.92 40.78 1vsc s ASP 181 CO 0.24 0.14 1.74 0.77 0.52 0.00 0.00 175.17 178.58 1vsc h SER 182 N 6.89 0.00 -3.69 -0.34 4.64 -1.89 -3.42 113.55 115.74 1vsc h SER 182 Ca -0.26 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.39 1vsc h SER 182 Cb 1.21 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.12 1vsc h SER 182 CO 0.53 0.41 -0.39 -0.69 -0.87 0.00 0.00 176.83 175.81 1vsc s VAL 183 N -3.72 5.23 1.00 0.95 1.01 -1.26 -5.09 120.40 118.53 1vsc s VAL 183 Ca -0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1vsc s VAL 183 Cb 0.12 -3.77 0.20 0.00 0.00 0.00 0.00 36.38 32.93 1vsc s VAL 183 CO 0.70 -0.05 1.22 -2.16 0.00 0.00 0.00 175.10 174.81 1vsc s PRO 184 N 1.85 0.42 0.11 2.72 0.04 -1.26 -5.01 135.00 133.86 1vsc s PRO 184 Ca 0.09 -0.12 -0.28 0.00 0.04 0.00 0.00 61.00 60.73 1vsc s PRO 184 Cb -0.17 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1vsc s PRO 184 CO 0.11 -2.61 0.87 0.99 0.04 0.00 0.00 177.00 176.40 1vsc s THR 185 N -3.51 4.52 -0.02 1.26 2.01 0.33 -4.88 115.64 115.36 1vsc s THR 185 Ca 0.70 1.88 0.02 0.00 0.31 0.00 0.00 61.69 64.60 1vsc s THR 185 Cb -0.08 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.20 1vsc s THR 185 CO 0.53 0.38 -0.07 0.68 -0.69 0.00 0.00 174.62 175.45 1vsc s VAL 186 N -0.27 0.63 -0.03 3.82 -7.23 -1.26 -0.50 120.40 115.56 1vsc s VAL 186 Ca 0.42 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1vsc s VAL 186 Cb -0.23 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.16 1vsc s VAL 186 CO 0.27 0.19 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.99 1vsc s ARG 187 N 0.09 1.38 0.16 4.82 0.52 -0.81 -5.01 118.95 120.11 1vsc s ARG 187 Ca -0.01 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1vsc s ARG 187 Cb -0.06 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 34.11 1vsc s ARG 187 CO -0.00 0.22 0.05 1.14 0.02 0.00 0.00 175.30 176.73 1vsc s GLN 188 N -0.01 1.06 0.07 3.54 -2.07 -1.26 -1.55 119.66 119.44 1vsc s GLN 188 Ca -0.01 -1.52 0.03 0.00 -1.82 0.00 0.00 55.36 52.04 1vsc s GLN 188 Cb -0.09 0.03 -0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1vsc s GLN 188 CO 0.01 -0.23 -0.08 0.00 -1.32 0.00 0.00 175.29 173.66 1vsc s ALA 189 N -3.90 0.85 -0.02 2.60 0.00 0.96 -4.61 121.76 117.64 1vsc s ALA 189 Ca 0.27 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1vsc s ALA 189 Cb 0.07 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1vsc s ALA 189 CO 0.04 -0.08 -0.02 0.08 0.00 0.00 0.00 175.76 175.79 1vsc s VAL 190 N -2.27 0.26 -0.05 0.00 1.01 -1.26 -0.26 120.40 117.84 1vsc s VAL 190 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1vsc s VAL 190 Cb -0.04 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1vsc s VAL 190 CO -0.01 0.12 -0.05 -0.75 0.00 0.00 0.00 175.10 174.41 1vsc s LYS 191 N 0.48 0.93 0.03 2.72 2.20 -0.43 -4.97 119.74 120.69 1vsc s LYS 191 Ca -0.05 -0.14 -0.28 0.00 -0.36 0.00 0.00 55.97 55.14 1vsc s LYS 191 Cb -0.08 -0.90 -0.04 0.00 -1.51 0.00 0.00 37.83 35.29 1vsc s LYS 191 CO -0.01 -0.07 0.89 -2.00 -0.36 0.00 0.00 175.35 173.80 1vsc s GLU 192 N 0.89 4.57 -0.46 4.03 2.12 -1.26 -0.07 118.70 128.52 1vsc s GLU 192 Ca -0.12 1.28 -0.27 0.00 0.36 0.00 0.00 54.97 56.22 1vsc s GLU 192 Cb -0.14 -3.41 0.03 0.00 0.26 0.00 0.00 34.13 30.86 1vsc s GLU 192 CO 0.01 0.12 1.00 -0.51 -0.54 0.00 0.00 175.26 175.33 1vsc s LEU 193 N 0.45 3.88 -0.02 2.70 1.43 -0.28 -4.94 118.68 121.90 1vsc s LEU 193 Ca 0.46 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.93 1vsc s LEU 193 Cb -0.21 -3.33 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1vsc s LEU 193 CO 0.26 -1.10 -0.24 -1.10 0.23 0.00 0.00 176.35 174.40 1vsc s GLN 194 N 3.97 2.14 0.29 1.70 -0.21 -1.26 0.02 119.66 126.31 1vsc s GLN 194 Ca 0.41 -0.91 -0.28 0.00 0.02 0.00 0.00 55.36 54.60 1vsc s GLN 194 Cb -0.09 -2.09 -0.09 0.00 1.00 0.00 0.00 33.01 31.74 1vsc s GLN 194 CO 0.27 0.56 1.01 0.08 -2.12 0.00 0.00 175.29 175.10 1vsc s VAL 195 N -0.65 3.85 0.00 1.09 1.01 -1.26 -4.27 120.40 120.18 1vsc s VAL 195 Ca 0.10 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1vsc s VAL 195 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1vsc s VAL 195 CO -0.00 0.32 0.00 -0.67 0.00 0.00 0.00 175.10 174.74