#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk6 s ASP 2 N 0.00 4.28 0.12 4.39 1.47 -1.26 -4.71 116.67 120.96 1vk6 s ASP 2 Ca 0.00 -0.71 -0.24 0.00 1.18 0.00 0.00 52.55 52.78 1vk6 s ASP 2 Cb 0.00 -0.70 0.07 0.00 -0.34 0.00 0.00 42.92 41.95 1vk6 s ASP 2 CO 0.00 0.03 0.62 0.00 0.68 0.00 0.00 175.17 176.50 1vk6 s ARG 3 N -3.45 1.24 -0.07 2.11 1.70 0.13 -4.95 118.95 115.65 1vk6 s ARG 3 Ca 0.30 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.92 1vk6 s ARG 3 Cb -0.07 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 1vk6 s ARG 3 CO 0.18 -0.52 1.52 0.42 -1.08 0.00 0.00 175.30 175.82 1vk6 s ILE 4 N -3.30 3.76 0.22 4.99 1.01 -1.26 -0.21 121.20 126.41 1vk6 s ILE 4 Ca -0.01 0.97 -0.32 0.00 0.00 0.00 0.00 60.65 61.29 1vk6 s ILE 4 Cb -0.01 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.72 1vk6 s ILE 4 CO -0.09 -0.07 1.69 -0.63 0.00 0.00 0.00 174.94 175.84 1vk6 s ILE 5 N 3.63 2.06 0.51 2.92 -1.09 0.16 -4.86 121.20 124.53 1vk6 s ILE 5 Ca 0.67 0.05 0.09 0.00 -2.23 0.00 0.00 60.65 59.23 1vk6 s ILE 5 Cb -0.30 -3.03 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1vk6 s ILE 5 CO 0.25 0.00 0.68 -1.61 -1.23 0.00 0.00 174.94 173.04 1vk6 s GLU 6 N 0.83 2.50 0.15 2.79 0.41 -1.26 -0.30 118.70 123.83 1vk6 s GLU 6 Ca 0.72 -1.50 -0.12 0.00 -0.41 0.00 0.00 54.97 53.65 1vk6 s GLU 6 Cb -0.49 -2.66 0.03 0.00 -1.78 0.00 0.00 34.13 29.23 1vk6 s GLU 6 CO 0.35 -0.61 1.62 0.87 -0.49 0.00 0.00 175.26 177.00 1vk6 h LYS 7 N 0.40 0.87 -0.05 1.61 1.57 -1.98 -2.77 116.57 116.22 1vk6 h LYS 7 Ca -0.34 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 1vk6 h LYS 7 Cb 1.29 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1vk6 h LYS 7 CO 0.43 0.88 0.00 1.28 -0.57 0.00 0.00 179.45 181.48 1vk6 n LEU 8 N -4.35 0.90 -4.75 2.94 4.77 -1.26 -3.85 117.00 111.39 1vk6 n LEU 8 Ca 0.01 -0.34 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 1vk6 n LEU 8 Cb 0.29 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1vk6 n LEU 8 CO 0.42 0.17 1.03 0.47 -1.33 0.00 0.00 177.39 178.15 1vk6 n ASP 9 N -0.25 3.12 -3.89 -1.43 8.00 -1.05 -4.83 116.55 116.23 1vk6 n ASP 9 Ca 0.18 1.09 -0.10 0.00 0.71 0.00 0.00 54.79 56.67 1vk6 n ASP 9 Cb 0.23 -1.59 -0.09 0.00 -0.02 0.00 0.00 41.12 39.66 1vk6 n ASP 9 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1vk6 s HIS 10 N -1.21 0.14 -5.00 1.24 5.65 -1.26 0.02 115.29 114.87 1vk6 s HIS 10 Ca 0.63 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.53 1vk6 s HIS 10 Cb -0.45 -0.09 0.00 0.00 -1.18 0.00 0.00 32.58 30.86 1vk6 s HIS 10 CO 0.56 -0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.66 1vk6 n GLY 11 N 0.71 0.50 3.65 1.59 0.00 -0.92 -4.63 105.19 106.08 1vk6 n GLY 11 Ca -0.19 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 1vk6 n GLY 11 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vk6 s TRP 12 N -4.00 3.20 -0.24 1.61 0.52 -0.25 -0.97 118.94 118.80 1vk6 s TRP 12 Ca 0.00 0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.22 1vk6 s TRP 12 Cb 0.00 -1.92 0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1vk6 s TRP 12 CO 0.00 0.31 -0.09 -1.58 0.02 0.00 0.00 176.95 175.61 1vk6 s TRP 13 N -0.30 3.09 -0.51 -1.98 0.52 -0.40 -0.46 118.94 118.90 1vk6 s TRP 13 Ca 0.07 -1.79 -0.15 0.00 0.02 0.00 0.00 56.10 54.25 1vk6 s TRP 13 Cb -0.12 -2.01 0.11 0.00 -1.15 0.00 0.00 33.47 30.30 1vk6 s TRP 13 CO 0.02 -0.79 0.45 0.08 0.02 0.00 0.00 176.95 176.73 1vk6 s VAL 14 N 1.26 5.08 -0.33 4.03 1.01 0.67 -4.03 120.40 128.10 1vk6 s VAL 14 Ca -0.02 -1.40 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1vk6 s VAL 14 Cb -0.17 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1vk6 s VAL 14 CO -0.06 -0.76 0.06 -0.69 0.00 0.00 0.00 175.10 173.65 1vk6 s VAL 15 N 1.58 3.37 -0.02 2.92 1.01 -1.26 -0.29 120.40 127.71 1vk6 s VAL 15 Ca 0.04 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.77 1vk6 s VAL 15 Cb -0.28 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1vk6 s VAL 15 CO 0.04 -0.18 -0.23 -0.55 0.00 0.00 0.00 175.10 174.17 1vk6 s SER 16 N 1.37 2.73 -0.17 3.32 0.15 0.39 -0.42 113.70 121.08 1vk6 s SER 16 Ca -0.03 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.11 1vk6 s SER 16 Cb -0.20 -0.30 0.06 0.00 -1.71 0.00 0.00 66.02 63.86 1vk6 s SER 16 CO 0.00 0.29 0.41 -2.28 1.20 0.00 0.00 173.24 172.86 1vk6 s HIS 17 N -0.54 -0.60 -1.26 3.44 5.04 -0.85 -2.20 115.29 118.31 1vk6 s HIS 17 Ca 0.09 1.29 -0.02 0.00 -1.54 0.00 0.00 55.06 54.87 1vk6 s HIS 17 Cb -0.09 0.26 -0.01 0.00 0.04 0.00 0.00 32.58 32.79 1vk6 s HIS 17 CO -0.01 -0.34 0.75 0.39 -2.34 0.00 0.00 174.74 173.20 1vk6 n GLU 18 N 4.18 -4.60 -1.29 2.88 1.02 -1.26 -1.88 120.64 119.68 1vk6 n GLU 18 Ca -0.23 0.65 -0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1vk6 n GLU 18 Cb 0.55 -5.21 -0.04 0.00 -0.02 0.00 0.00 31.44 26.72 1vk6 n GLU 18 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1vk6 n GLN 19 N -4.17 -1.52 -4.49 3.49 6.02 -1.26 -4.99 117.38 110.45 1vk6 n GLN 19 Ca -0.27 0.83 -0.26 0.00 -0.01 0.00 0.00 57.00 57.29 1vk6 n GLN 19 Cb 0.67 -5.14 -0.10 0.00 1.02 0.00 0.00 30.24 26.69 1vk6 n GLN 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1vk6 s LYS 20 N -2.74 1.88 0.13 -1.09 1.02 -0.79 -4.67 119.74 113.48 1vk6 s LYS 20 Ca 0.00 -1.88 0.04 0.00 0.02 0.00 0.00 55.97 54.15 1vk6 s LYS 20 Cb 0.00 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 1vk6 s LYS 20 CO 0.00 0.15 -0.10 -0.48 -0.92 0.00 0.00 175.35 174.00 1vk6 s LEU 21 N -3.63 2.48 -0.17 3.17 2.34 0.43 -2.01 118.68 121.29 1vk6 s LEU 21 Ca 0.33 -0.94 -0.28 0.00 0.06 0.00 0.00 54.13 53.30 1vk6 s LEU 21 Cb 0.02 -0.33 -0.00 0.00 -0.56 0.00 0.00 46.19 45.31 1vk6 s LEU 21 CO 0.17 -0.31 0.98 0.86 -1.06 0.00 0.00 176.35 177.00 1vk6 s TRP 22 N -2.99 3.43 -0.49 3.48 -0.00 0.44 -0.66 118.94 122.15 1vk6 s TRP 22 Ca 0.12 1.47 0.07 0.00 -0.00 0.00 0.00 56.10 57.76 1vk6 s TRP 22 Cb 0.01 -3.18 0.23 0.00 -0.00 0.00 0.00 33.47 30.53 1vk6 s TRP 22 CO 0.00 -0.32 0.56 1.28 -0.00 0.00 0.00 176.95 178.47 1vk6 n LEU 23 N 5.55 1.35 -4.76 5.86 4.77 0.52 -4.47 117.00 125.81 1vk6 n LEU 23 Ca 0.09 -4.91 -0.41 0.00 -0.03 0.00 0.00 56.01 50.75 1vk6 n LEU 23 Cb 0.48 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1vk6 n LEU 23 CO 0.51 2.01 1.06 -2.16 -1.33 0.00 0.00 177.39 177.48 1vk6 s PRO 24 N -1.40 4.27 -0.84 3.23 0.04 -1.18 -0.60 135.00 138.52 1vk6 s PRO 24 Ca 0.35 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1vk6 s PRO 24 Cb 0.13 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1vk6 s PRO 24 CO -0.10 -0.34 0.00 1.63 0.04 0.00 0.00 177.00 178.23 1vk6 n LYS 25 N 1.18 -1.75 -0.90 4.56 5.02 -1.26 -1.71 118.16 123.30 1vk6 n LYS 25 Ca 0.02 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 1vk6 n LYS 25 Cb 0.41 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 1vk6 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vk6 n GLY 26 N 0.36 0.53 3.52 0.72 0.00 0.23 -5.04 105.19 105.52 1vk6 n GLY 26 Ca -0.08 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1vk6 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vk6 s GLU 27 N -0.39 1.90 -0.03 1.61 2.02 -0.69 -5.00 118.70 118.11 1vk6 s GLU 27 Ca 0.00 -1.31 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 1vk6 s GLU 27 Cb 0.00 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1vk6 s GLU 27 CO 0.00 0.43 1.14 -1.17 0.02 0.00 0.00 175.26 175.68 1vk6 s LEU 28 N -2.69 4.30 0.11 1.80 2.96 -1.26 -3.10 118.68 120.79 1vk6 s LEU 28 Ca 0.23 1.79 -0.34 0.00 -0.22 0.00 0.00 54.13 55.59 1vk6 s LEU 28 Cb -0.09 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.91 1vk6 s LEU 28 CO 0.13 -0.50 1.66 -2.65 -1.32 0.00 0.00 176.35 173.68 1vk6 n PRO 29 N 4.75 2.21 -4.08 0.98 -0.02 -1.26 -4.88 135.00 132.71 1vk6 n PRO 29 Ca 0.10 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 62.19 1vk6 n PRO 29 Cb 0.47 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 1vk6 n PRO 29 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1vk6 s TYR 30 N 1.69 0.59 -3.62 6.00 5.04 -1.26 -1.27 117.35 124.52 1vk6 s TYR 30 Ca 0.82 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1vk6 s TYR 30 Cb -0.67 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.08 1vk6 s TYR 30 CO 0.41 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 174.86 1vk6 n GLY 31 N 4.08 0.84 3.76 8.97 0.00 -0.15 -4.98 105.19 117.71 1vk6 n GLY 31 Ca -0.25 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 1vk6 n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vk6 s GLU 32 N -1.45 4.51 0.36 1.61 2.02 -1.26 -2.17 118.70 122.32 1vk6 s GLU 32 Ca 0.00 1.98 0.10 0.00 0.02 0.00 0.00 54.97 57.07 1vk6 s GLU 32 Cb 0.00 -3.15 0.84 0.00 0.10 0.00 0.00 34.13 31.93 1vk6 s GLU 32 CO 0.00 0.02 1.88 0.00 0.02 0.00 0.00 175.26 177.17 1vk6 h ALA 33 N 3.80 1.86 0.00 5.21 0.00 -0.57 -0.70 119.26 128.86 1vk6 h ALA 33 Ca -0.47 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1vk6 h ALA 33 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1vk6 h ALA 33 CO 0.67 -0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.64 1vk6 h ALA 34 N 1.60 1.52 0.00 0.00 0.00 -1.82 -0.85 119.26 119.71 1vk6 h ALA 34 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1vk6 h ALA 34 Cb 0.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1vk6 h ALA 34 CO -0.19 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1vk6 n ASN 35 N -4.06 0.00 -0.22 0.00 3.02 -0.27 -3.11 115.26 110.62 1vk6 n ASN 35 Ca -0.02 0.50 0.04 0.00 -0.03 0.00 0.00 54.58 55.06 1vk6 n ASN 35 Cb 0.26 -0.50 0.08 0.00 -0.61 0.00 0.00 39.78 39.01 1vk6 n ASN 35 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1vk6 n PHE 36 N -1.50 0.17 -3.87 3.10 3.72 -0.39 -4.99 117.46 113.71 1vk6 n PHE 36 Ca 0.06 -0.63 -0.28 0.00 -0.05 0.00 0.00 57.45 56.55 1vk6 n PHE 36 Cb 0.30 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1vk6 n PHE 36 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1vk6 n ASP 37 N -0.48 -3.73 -0.22 4.37 2.03 -1.03 -4.92 116.55 112.58 1vk6 n ASP 37 Ca 0.07 -0.80 0.08 0.00 0.52 0.00 0.00 54.79 54.66 1vk6 n ASP 37 Cb 0.42 -3.89 -0.04 0.00 -0.72 0.00 0.00 41.12 36.88 1vk6 n ASP 37 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1vk6 n LEU 38 N -4.57 1.28 -4.71 -2.67 4.77 -0.79 -4.95 117.00 105.35 1vk6 n LEU 38 Ca -0.06 -0.65 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1vk6 n LEU 38 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1vk6 n LEU 38 CO 0.74 0.26 1.28 0.52 -1.33 0.00 0.00 177.39 178.86 1vk6 n VAL 39 N -0.64 0.32 0.00 4.08 0.31 -1.26 -1.83 118.33 119.32 1vk6 n VAL 39 Ca 0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1vk6 n VAL 39 Cb 0.31 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1vk6 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1vk6 n GLY 40 N 3.28 1.55 3.82 2.92 0.00 0.60 -4.98 105.19 112.39 1vk6 n GLY 40 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1vk6 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vk6 s GLN 41 N -0.73 3.35 -0.14 1.61 -1.52 -0.76 -4.66 119.66 116.82 1vk6 s GLN 41 Ca 0.00 1.05 -0.18 0.00 -1.95 0.00 0.00 55.36 54.28 1vk6 s GLN 41 Cb 0.00 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 1vk6 s GLN 41 CO 0.00 -0.77 0.47 0.50 -0.25 0.00 0.00 175.29 175.24 1vk6 s ARG 42 N -4.44 4.30 0.22 2.91 3.52 -1.26 0.39 118.95 124.60 1vk6 s ARG 42 Ca 0.60 0.41 0.05 0.00 -0.13 0.00 0.00 55.73 56.66 1vk6 s ARG 42 Cb -0.14 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 1vk6 s ARG 42 CO 0.42 0.11 -0.06 0.00 -0.81 0.00 0.00 175.30 174.96 1vk6 s ALA 43 N 0.80 1.94 -0.06 6.12 0.00 0.70 -4.42 121.76 126.85 1vk6 s ALA 43 Ca 0.25 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1vk6 s ALA 43 Cb -0.15 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1vk6 s ALA 43 CO 0.10 -0.11 -0.04 -1.17 0.00 0.00 0.00 175.76 174.54 1vk6 s LEU 44 N -3.32 1.17 -0.19 0.00 2.96 -0.04 -0.69 118.68 118.57 1vk6 s LEU 44 Ca 0.25 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 1vk6 s LEU 44 Cb 0.03 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.23 1vk6 s LEU 44 CO 0.08 -0.09 1.20 -1.58 -1.32 0.00 0.00 176.35 174.64 1vk6 s GLN 45 N 1.19 4.22 0.00 1.98 0.74 -1.26 0.40 119.66 126.93 1vk6 s GLN 45 Ca -0.07 1.55 0.13 0.00 0.05 0.00 0.00 55.36 57.02 1vk6 s GLN 45 Cb -0.14 -3.73 0.06 0.00 1.10 0.00 0.00 33.01 30.30 1vk6 s GLN 45 CO -0.01 -0.71 0.84 0.44 -0.55 0.00 0.00 175.29 175.30 1vk6 n ILE 46 N 5.40 0.00 -3.41 -2.34 -5.35 -0.41 -4.95 119.36 108.30 1vk6 n ILE 46 Ca 0.13 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 1vk6 n ILE 46 Cb 0.45 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1vk6 n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vk6 n GLY 47 N 0.84 -0.99 3.01 3.28 0.00 -1.20 -4.99 105.19 105.14 1vk6 n GLY 47 Ca 0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1vk6 n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vk6 s GLU 48 N -0.82 0.40 -0.05 1.61 -1.05 -1.26 -1.07 118.70 116.46 1vk6 s GLU 48 Ca 0.00 -0.65 -0.01 0.00 -0.15 0.00 0.00 54.97 54.16 1vk6 s GLU 48 Cb 0.00 -0.08 0.03 0.00 -0.44 0.00 0.00 34.13 33.64 1vk6 s GLU 48 CO 0.00 -0.00 0.01 -0.46 0.95 0.00 0.00 175.26 175.76 1vk6 s TRP 49 N -1.36 0.44 -1.27 4.83 -0.11 1.00 -4.83 118.94 117.64 1vk6 s TRP 49 Ca -0.13 -0.03 -0.13 0.00 1.22 0.00 0.00 56.10 57.04 1vk6 s TRP 49 Cb -0.10 -0.62 0.00 0.00 -1.50 0.00 0.00 33.47 31.26 1vk6 s TRP 49 CO -0.00 -0.24 0.61 1.04 -4.62 0.00 0.00 176.95 173.74 1vk6 n GLN 50 N 4.86 -2.03 -3.43 5.86 1.13 -1.26 -2.10 117.38 120.41 1vk6 n GLN 50 Ca -0.12 0.39 -0.25 0.00 -1.94 0.00 0.00 57.00 55.08 1vk6 n GLN 50 Cb 0.50 -4.13 0.01 0.00 0.11 0.00 0.00 30.24 26.73 1vk6 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vk6 n GLY 51 N -1.86 -0.49 2.96 1.08 0.00 -1.26 -4.99 105.19 100.62 1vk6 n GLY 51 Ca -0.19 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1vk6 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vk6 s GLU 52 N -6.10 0.38 0.51 1.61 0.41 -0.89 -5.14 118.70 109.48 1vk6 s GLU 52 Ca 0.44 -0.27 -0.21 0.00 -0.41 0.00 0.00 54.97 54.52 1vk6 s GLU 52 Cb -0.23 -0.32 -0.06 0.00 -1.78 0.00 0.00 34.13 31.74 1vk6 s GLU 52 CO 0.55 0.08 1.19 -1.25 -0.49 0.00 0.00 175.26 175.34 1vk6 s PRO 53 N -0.39 3.45 -0.20 0.39 0.04 -1.26 -0.00 135.00 137.03 1vk6 s PRO 53 Ca -0.01 1.81 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 1vk6 s PRO 53 Cb -0.03 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1vk6 s PRO 53 CO -0.00 -0.82 0.00 0.08 0.04 0.00 0.00 177.00 176.31 1vk6 s VAL 54 N -1.57 3.94 -0.08 -0.36 1.01 -0.23 -1.09 120.40 122.01 1vk6 s VAL 54 Ca 0.69 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1vk6 s VAL 54 Cb -0.29 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1vk6 s VAL 54 CO 0.34 0.42 -0.10 0.26 0.00 0.00 0.00 175.10 176.03 1vk6 s TRP 55 N 1.07 2.85 -0.17 5.22 0.52 0.39 -1.29 118.94 127.53 1vk6 s TRP 55 Ca 0.02 -0.17 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 1vk6 s TRP 55 Cb -0.14 -1.73 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 1vk6 s TRP 55 CO 0.02 0.16 0.16 -1.17 0.02 0.00 0.00 176.95 176.14 1vk6 s LEU 56 N -0.48 4.26 -0.02 2.99 2.96 0.16 -0.23 118.68 128.32 1vk6 s LEU 56 Ca 0.07 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1vk6 s LEU 56 Cb -0.12 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1vk6 s LEU 56 CO 0.02 0.22 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.51 1vk6 s VAL 57 N 0.02 0.62 -0.48 1.68 1.01 0.60 -0.86 120.40 122.98 1vk6 s VAL 57 Ca 0.11 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1vk6 s VAL 57 Cb -0.12 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 35.79 1vk6 s VAL 57 CO 0.01 0.20 0.41 -1.10 0.00 0.00 0.00 175.10 174.62 1vk6 s GLN 58 N 0.22 2.96 -0.14 2.72 -0.21 -1.26 -0.46 119.66 123.49 1vk6 s GLN 58 Ca -0.03 -1.43 -0.24 0.00 0.02 0.00 0.00 55.36 53.68 1vk6 s GLN 58 Cb -0.08 -4.15 0.06 0.00 1.00 0.00 0.00 33.01 29.84 1vk6 s GLN 58 CO 0.00 -1.08 0.61 -1.14 -2.12 0.00 0.00 175.29 171.56 1vk6 s GLN 59 N 1.62 0.85 0.02 2.91 0.74 -0.93 -4.94 119.66 119.93 1vk6 s GLN 59 Ca 0.04 0.52 -0.17 0.00 0.05 0.00 0.00 55.36 55.79 1vk6 s GLN 59 Cb -0.25 0.40 -0.06 0.00 1.10 0.00 0.00 33.01 34.20 1vk6 s GLN 59 CO 0.06 -0.19 0.50 -1.14 -0.55 0.00 0.00 175.29 173.97 1vk6 s GLN 60 N -0.43 4.11 0.09 1.67 0.74 -1.26 -4.01 119.66 120.57 1vk6 s GLN 60 Ca -0.06 0.58 0.06 0.00 0.05 0.00 0.00 55.36 56.00 1vk6 s GLN 60 Cb -0.03 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 1vk6 s GLN 60 CO 0.05 0.59 -0.07 1.03 -0.55 0.00 0.00 175.29 176.34 1vk6 s ARG 61 N -0.85 2.28 0.16 1.67 1.81 -1.26 -5.05 118.95 117.71 1vk6 s ARG 61 Ca 0.27 -0.95 -0.15 0.00 -1.72 0.00 0.00 55.73 53.18 1vk6 s ARG 61 Cb -0.18 -2.39 0.05 0.00 -0.45 0.00 0.00 34.95 31.98 1vk6 s ARG 61 CO 0.16 0.52 1.80 -0.09 -0.68 0.00 0.00 175.30 177.02 1vk6 h ARG 62 N 3.60 0.51 -5.75 3.54 2.43 -2.06 -3.45 114.38 113.19 1vk6 h ARG 62 Ca -0.48 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.10 1vk6 h ARG 62 Cb 1.17 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 30.46 1vk6 h ARG 62 CO 0.55 0.34 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.65 1vk6 s HIS 63 N -6.15 2.17 -0.09 2.20 3.76 -1.26 -5.20 115.29 110.71 1vk6 s HIS 63 Ca -0.13 -0.58 -0.07 0.00 -0.15 0.00 0.00 55.06 54.14 1vk6 s HIS 63 Cb 0.12 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.62 1vk6 s HIS 63 CO 0.73 0.45 0.13 -0.25 -0.85 0.00 0.00 174.74 174.95 1vk6 n ASP 64 N -0.67 -2.68 0.00 1.40 8.00 -1.26 -4.80 116.55 116.54 1vk6 n ASP 64 Ca -0.05 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1vk6 n ASP 64 Cb 0.63 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 1vk6 n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vk6 n GLY 66 N 1.26 -1.56 3.77 0.44 0.00 0.16 -0.36 105.19 108.91 1vk6 n GLY 66 Ca -0.22 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1vk6 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vk6 s SER 67 N -0.33 5.66 0.18 1.61 0.15 -1.26 -0.43 113.70 119.27 1vk6 s SER 67 Ca 0.00 2.20 0.24 0.00 0.70 0.00 0.00 55.95 59.08 1vk6 s SER 67 Cb 0.00 -2.58 0.90 0.00 -1.71 0.00 0.00 66.02 62.63 1vk6 s SER 67 CO 0.00 -1.26 1.72 0.55 1.20 0.00 0.00 173.24 175.45 1vk6 n VAL 68 N -1.34 0.69 0.00 4.45 3.14 -1.26 -2.57 118.33 121.44 1vk6 n VAL 68 Ca 0.12 0.05 0.11 0.00 -2.96 0.00 0.00 64.34 61.66 1vk6 n VAL 68 Cb 0.51 -0.89 0.54 0.00 -1.06 0.00 0.00 33.84 32.94 1vk6 n VAL 68 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1vk6 h ARG 69 N 0.00 0.30 -0.35 1.45 3.08 -1.93 -2.14 114.38 114.78 1vk6 h ARG 69 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1vk6 h ARG 69 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1vk6 h ARG 69 CO 0.00 0.20 0.27 1.96 -1.07 0.00 0.00 179.97 181.33 1vk6 h GLN 70 N 0.30 0.00 0.00 0.04 4.20 -1.89 -1.73 115.11 116.04 1vk6 h GLN 70 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.85 1vk6 h GLN 70 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1vk6 h GLN 70 CO -0.04 0.00 -0.32 0.28 -0.67 0.00 0.00 178.83 178.08 1vk6 h VAL 71 N 0.00 0.86 -0.77 -0.54 2.07 -1.60 -2.98 116.25 113.30 1vk6 h VAL 71 Ca 0.17 -1.26 0.18 0.00 0.82 0.00 0.00 66.70 66.60 1vk6 h VAL 71 Cb 0.71 1.76 -0.12 0.00 -1.52 0.00 0.00 31.29 32.13 1vk6 h VAL 71 CO -0.00 0.31 0.17 0.40 0.02 0.00 0.00 177.57 178.46 1vk6 h ILE 72 N 0.00 0.44 0.00 4.57 2.04 -1.45 -0.19 117.51 122.93 1vk6 h ILE 72 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1vk6 h ILE 72 Cb 0.74 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1vk6 h ILE 72 CO 0.04 0.04 -0.02 0.44 0.00 0.00 0.00 178.15 178.65 1vk6 h ASP 73 N 0.23 0.00 0.13 1.72 5.19 -1.68 -3.23 116.42 118.78 1vk6 h ASP 73 Ca 0.45 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 1vk6 h ASP 73 Cb 0.80 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1vk6 h ASP 73 CO -0.57 0.02 -0.06 -0.07 -3.12 0.00 0.00 179.24 175.45 1vk6 h LEU 74 N 0.00 -0.15 -7.01 1.55 3.38 -1.28 -3.48 115.31 108.31 1vk6 h LEU 74 Ca -0.00 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1vk6 h LEU 74 Cb 0.79 0.04 -0.21 0.00 0.09 0.00 0.00 40.66 41.36 1vk6 h LEU 74 CO 0.00 0.30 -0.04 -0.62 0.09 0.00 0.00 178.44 178.17 1vk6 s ASP 75 N -5.16 -0.97 0.29 -0.43 -1.08 -0.20 -5.06 116.67 104.06 1vk6 s ASP 75 Ca -0.03 1.50 0.10 0.00 -0.52 0.00 0.00 52.55 53.60 1vk6 s ASP 75 Cb 0.00 1.58 0.43 0.00 -1.46 0.00 0.00 42.92 43.47 1vk6 s ASP 75 CO 0.08 -0.23 1.66 -0.37 0.52 0.00 0.00 175.17 176.82 1vk6 h VAL 76 N 5.28 1.38 -0.15 1.11 -1.51 -1.76 -1.51 116.25 119.09 1vk6 h VAL 76 Ca -0.27 -1.85 -0.08 0.00 -1.23 0.00 0.00 66.70 63.27 1vk6 h VAL 76 Cb 1.20 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.33 1vk6 h VAL 76 CO 0.15 0.53 -0.23 1.23 -1.23 0.00 0.00 177.57 178.02 1vk6 h GLY 77 N 1.56 0.46 1.61 5.19 0.00 -1.93 -3.17 103.07 106.80 1vk6 h GLY 77 Ca -0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1vk6 h GLY 77 CO 0.07 0.47 -0.17 1.41 0.00 0.00 0.00 176.54 178.32 1vk6 h LEU 78 N 0.04 0.45 -0.81 3.11 3.38 -1.91 -2.56 115.31 116.99 1vk6 h LEU 78 Ca 0.01 -0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.06 1vk6 h LEU 78 Cb 0.81 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 1vk6 h LEU 78 CO 0.05 0.64 0.10 0.15 0.09 0.00 0.00 178.44 179.48 1vk6 h PHE 79 N 0.42 0.12 -0.31 1.13 3.57 -1.30 -0.45 116.94 120.11 1vk6 h PHE 79 Ca 0.07 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1vk6 h PHE 79 Cb 0.54 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1vk6 h PHE 79 CO 0.02 -0.23 0.18 1.96 -2.23 0.00 0.00 178.31 178.01 1vk6 h GLN 80 N 0.15 0.43 0.32 1.11 1.08 -1.43 -0.43 115.11 116.34 1vk6 h GLN 80 Ca 0.47 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 1vk6 h GLN 80 Cb 0.89 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1vk6 h GLN 80 CO -0.67 0.34 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.33 1vk6 h LEU 81 N 0.40 -0.36 -0.34 1.46 3.38 -1.46 -2.23 115.31 116.15 1vk6 h LEU 81 Ca 0.11 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1vk6 h LEU 81 Cb 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1vk6 h LEU 81 CO -0.02 -0.18 0.14 0.00 0.09 0.00 0.00 178.44 178.47 1vk6 h ALA 82 N 0.13 0.40 -0.30 1.53 0.00 -1.08 -2.14 119.26 117.80 1vk6 h ALA 82 Ca -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1vk6 h ALA 82 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1vk6 h ALA 82 CO 0.07 -0.25 -0.08 0.78 0.00 0.00 0.00 179.25 179.77 1vk6 h GLY 83 N 0.29 0.52 1.50 0.00 0.00 -1.05 -1.84 103.07 102.48 1vk6 h GLY 83 Ca 0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1vk6 h GLY 83 CO -0.14 0.32 -0.25 3.21 0.00 0.00 0.00 176.54 179.68 1vk6 h ARG 84 N 0.46 0.58 -0.02 4.80 3.08 -1.12 0.20 114.38 122.36 1vk6 h ARG 84 Ca 0.09 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.94 1vk6 h ARG 84 Cb 0.42 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1vk6 h ARG 84 CO 0.02 0.78 -0.21 0.78 -1.07 0.00 0.00 179.97 180.27 1vk6 h GLY 85 N 1.01 -0.29 1.00 0.04 0.00 -0.83 0.28 103.07 104.28 1vk6 h GLY 85 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1vk6 h GLY 85 CO 0.05 -0.19 0.41 -2.08 0.00 0.00 0.00 176.54 174.73 1vk6 h VAL 86 N -0.33 1.18 -0.47 4.60 2.07 -0.80 -2.13 116.25 120.37 1vk6 h VAL 86 Ca 0.07 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vk6 h VAL 86 Cb 0.42 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1vk6 h VAL 86 CO -0.21 0.18 0.29 -0.61 0.02 0.00 0.00 177.57 177.24 1vk6 h GLN 87 N 0.87 0.63 -0.68 1.57 5.75 -0.34 -2.29 115.11 120.63 1vk6 h GLN 87 Ca 0.23 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1vk6 h GLN 87 Cb -0.06 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.32 1vk6 h GLN 87 CO -0.05 0.45 0.45 1.25 -2.65 0.00 0.00 178.83 178.28 1vk6 h LEU 88 N 0.63 0.76 -1.06 -2.39 5.85 -0.17 0.11 115.31 119.04 1vk6 h LEU 88 Ca 0.17 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1vk6 h LEU 88 Cb -0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1vk6 h LEU 88 CO -0.03 0.55 0.63 0.00 -0.34 0.00 0.00 178.44 179.25 1vk6 h ALA 89 N 1.26 1.35 -0.20 1.25 0.00 -1.20 -0.70 119.26 121.01 1vk6 h ALA 89 Ca 0.25 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1vk6 h ALA 89 Cb -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1vk6 h ALA 89 CO -0.06 0.58 -0.48 0.93 0.00 0.00 0.00 179.25 180.22 1vk6 h GLU 90 N 1.26 0.53 -0.28 0.00 4.39 -0.78 -1.86 114.58 117.83 1vk6 h GLU 90 Ca 0.37 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1vk6 h GLU 90 Cb -0.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1vk6 h GLU 90 CO -0.10 0.89 0.15 0.35 -1.16 0.00 0.00 179.01 179.14 1vk6 h PHE 91 N 0.42 0.39 -0.69 4.33 3.57 -0.41 -1.10 116.94 123.45 1vk6 h PHE 91 Ca 0.02 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1vk6 h PHE 91 Cb 0.99 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 1vk6 h PHE 91 CO 0.04 0.34 0.44 1.88 -2.23 0.00 0.00 178.31 178.77 1vk6 h TYR 92 N 0.33 0.82 -0.68 0.41 0.05 -1.09 -2.77 116.97 114.04 1vk6 h TYR 92 Ca 0.10 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 1vk6 h TYR 92 Cb 0.08 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1vk6 h TYR 92 CO -0.03 0.48 0.17 -0.09 -1.05 0.00 0.00 178.16 177.64 1vk6 h ARG 93 N 0.86 1.07 0.00 4.88 2.43 -1.02 -2.42 114.38 120.18 1vk6 h ARG 93 Ca 0.27 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1vk6 h ARG 93 Cb -0.00 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1vk6 h ARG 93 CO -0.10 0.94 0.00 -1.13 -1.51 0.00 0.00 179.97 178.17 1vk6 n SER 94 N -4.24 0.00 -1.65 -3.80 3.41 -0.44 -3.42 113.62 103.48 1vk6 n SER 94 Ca 0.05 -0.47 0.02 0.00 -0.26 0.00 0.00 58.87 58.21 1vk6 n SER 94 Cb 0.25 -0.16 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1vk6 n SER 94 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1vk6 n HIS 95 N -1.16 0.46 -0.21 7.33 8.25 -0.98 -4.81 115.22 124.10 1vk6 n HIS 95 Ca 0.17 -1.15 -0.00 0.00 -0.26 0.00 0.00 57.72 56.48 1vk6 n HIS 95 Cb 0.17 -0.20 0.22 0.00 1.12 0.00 0.00 29.99 31.30 1vk6 n HIS 95 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1vk6 h LYS 96 N 1.42 0.98 -6.55 -0.41 3.64 -1.47 -3.44 116.57 110.75 1vk6 h LYS 96 Ca -0.13 -0.08 -0.65 0.00 -1.27 0.00 0.00 60.65 58.52 1vk6 h LYS 96 Cb 1.58 -0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 33.03 1vk6 h LYS 96 CO 0.15 0.69 -0.75 0.71 -2.27 0.00 0.00 179.45 177.97 1vk6 s TYR 97 N -5.74 2.61 -0.12 1.91 2.02 -1.26 -4.43 117.35 112.33 1vk6 s TYR 97 Ca -0.11 -0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 1vk6 s TYR 97 Cb 0.17 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1vk6 s TYR 97 CO 0.79 0.46 1.06 0.00 -1.57 0.00 0.00 175.55 176.29 1vk6 h GLY 99 N 8.38 0.00 0.57 0.00 0.00 -1.95 0.26 103.07 110.33 1vk6 h GLY 99 Ca -0.29 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1vk6 h GLY 99 CO 0.89 0.00 -0.58 -0.97 0.00 0.00 0.00 176.54 175.88 1vk6 h TYR 100 N 0.00 0.44 0.00 5.60 -1.99 -1.98 -3.42 116.97 115.62 1vk6 h TYR 100 Ca -0.00 -0.29 0.00 0.00 2.00 0.00 0.00 58.73 60.44 1vk6 h TYR 100 Cb 0.35 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1vk6 h TYR 100 CO 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 178.16 179.35 1vk6 n GLY 102 N 0.48 1.52 3.90 0.00 0.00 0.90 -4.98 105.19 107.02 1vk6 n GLY 102 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1vk6 n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vk6 s HIS 103 N -3.14 3.03 0.16 1.61 3.76 -1.26 -4.44 115.29 115.00 1vk6 s HIS 103 Ca 0.00 0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 55.67 1vk6 s HIS 103 Cb 0.00 -3.38 0.04 0.00 1.11 0.00 0.00 32.58 30.35 1vk6 s HIS 103 CO 0.00 -1.62 0.16 0.39 -0.85 0.00 0.00 174.74 172.81 1vk6 n GLU 104 N -3.22 -1.10 -3.62 1.40 1.02 -1.26 0.65 120.64 114.51 1vk6 n GLU 104 Ca 0.08 -0.25 -0.04 0.00 -0.02 0.00 0.00 57.16 56.93 1vk6 n GLU 104 Cb 0.60 -0.22 -0.04 0.00 -0.02 0.00 0.00 31.44 31.77 1vk6 n GLU 104 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1vk6 s TYR 106 N -1.29 -0.12 0.27 -0.32 1.13 0.59 -1.90 117.35 115.70 1vk6 s TYR 106 Ca 0.10 0.17 -0.29 0.00 -1.41 0.00 0.00 57.07 55.64 1vk6 s TYR 106 Cb -0.01 0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 41.25 1vk6 s TYR 106 CO 0.07 -0.12 1.21 -2.14 -2.51 0.00 0.00 175.55 172.06 1vk6 s PRO 107 N -1.35 4.50 0.57 -3.49 0.02 -1.26 -0.19 135.00 133.80 1vk6 s PRO 107 Ca 0.07 1.97 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 1vk6 s PRO 107 Cb -0.01 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1vk6 s PRO 107 CO -0.05 -0.02 1.31 0.45 -0.33 0.00 0.00 177.00 178.36 1vk6 s SER 108 N -0.41 5.16 0.08 2.53 0.15 0.61 -4.78 113.70 117.04 1vk6 s SER 108 Ca 0.49 2.65 0.23 0.00 0.70 0.00 0.00 55.95 60.02 1vk6 s SER 108 Cb -0.35 -2.62 0.16 0.00 -1.71 0.00 0.00 66.02 61.50 1vk6 s SER 108 CO 0.43 -1.64 1.14 0.29 1.20 0.00 0.00 173.24 174.66 1vk6 n LYS 109 N -1.28 0.31 0.00 5.44 5.02 -1.26 -4.42 118.16 121.97 1vk6 n LYS 109 Ca 0.12 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.49 1vk6 n LYS 109 Cb 0.47 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1vk6 n LYS 109 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1vk6 n THR 110 N -2.05 0.00 -3.97 -0.18 -2.24 -1.26 -2.62 114.28 101.96 1vk6 n THR 110 Ca 0.02 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1vk6 n THR 110 Cb 0.44 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 1vk6 n THR 110 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1vk6 s GLU 111 N -1.80 1.18 -1.21 -0.78 2.02 -1.26 -4.99 118.70 111.86 1vk6 s GLU 111 Ca 0.04 -1.19 -0.17 0.00 0.02 0.00 0.00 54.97 53.67 1vk6 s GLU 111 Cb 0.07 0.38 0.11 0.00 0.10 0.00 0.00 34.13 34.79 1vk6 s GLU 111 CO 0.36 -0.43 1.54 -1.58 0.02 0.00 0.00 175.26 175.16 1vk6 s TRP 112 N -3.97 3.07 0.00 1.61 0.52 -1.26 -4.37 118.94 114.54 1vk6 s TRP 112 Ca 0.18 -1.74 0.00 0.00 0.02 0.00 0.00 56.10 54.56 1vk6 s TRP 112 Cb 0.03 -4.54 0.00 0.00 -1.15 0.00 0.00 33.47 27.81 1vk6 s TRP 112 CO 0.01 -1.63 0.00 0.00 0.02 0.00 0.00 176.95 175.35 1vk6 n ALA 113 N 7.19 0.00 -3.58 0.98 0.00 -1.26 -4.21 120.51 119.63 1vk6 n ALA 113 Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1vk6 n ALA 113 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1vk6 n ALA 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vk6 s LEU 115 N 0.00 -0.21 -0.13 0.00 1.43 0.73 -0.28 118.68 120.22 1vk6 s LEU 115 Ca 0.00 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1vk6 s LEU 115 Cb 0.00 1.56 -0.04 0.00 0.03 0.00 0.00 46.19 47.74 1vk6 s LEU 115 CO 0.00 -0.31 0.17 0.00 0.23 0.00 0.00 176.35 176.45 1vk6 h SER 117 N 5.42 0.00 0.00 0.00 4.64 -1.71 -3.38 113.55 118.52 1vk6 h SER 117 Ca -0.51 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.75 1vk6 h SER 117 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1vk6 h SER 117 CO 0.63 0.00 -1.08 1.57 -0.87 0.00 0.00 176.83 177.08 1vk6 n HIS 118 N -2.59 0.00 -3.28 4.77 -0.00 -1.26 -5.06 115.22 107.80 1vk6 n HIS 118 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.64 1vk6 n HIS 118 Cb 0.26 -0.14 0.02 0.00 -0.00 0.00 0.00 29.99 30.13 1vk6 n HIS 118 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vk6 n ARG 120 N -1.34 1.84 -1.89 0.00 1.74 -1.26 -4.36 116.66 111.39 1vk6 n ARG 120 Ca 0.04 -1.44 -0.30 0.00 -0.77 0.00 0.00 57.85 55.38 1vk6 n ARG 120 Cb 0.26 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1vk6 n ARG 120 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vk6 s GLU 121 N -2.15 2.82 0.16 5.56 0.41 -1.26 -4.95 118.70 119.30 1vk6 s GLU 121 Ca 0.27 0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 55.11 1vk6 s GLU 121 Cb 0.20 -2.02 0.03 0.00 -1.78 0.00 0.00 34.13 30.55 1vk6 s GLU 121 CO 0.39 -1.05 0.44 -0.98 -0.49 0.00 0.00 175.26 173.57 1vk6 s ARG 122 N -5.36 1.21 0.06 1.61 1.70 -1.26 -3.57 118.95 113.33 1vk6 s ARG 122 Ca 0.58 -0.82 0.06 0.00 -0.47 0.00 0.00 55.73 55.08 1vk6 s ARG 122 Cb -0.11 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1vk6 s ARG 122 CO 0.52 -0.49 -0.17 0.71 -1.08 0.00 0.00 175.30 174.78 1vk6 s TYR 123 N -3.85 1.48 0.09 5.89 1.51 -1.26 -5.04 117.35 116.17 1vk6 s TYR 123 Ca 0.07 -0.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1vk6 s TYR 123 Cb 0.01 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1vk6 s TYR 123 CO -0.07 0.09 -0.25 0.71 -1.11 0.00 0.00 175.55 174.92 1vk6 s TYR 124 N -0.96 2.17 0.46 2.71 2.02 -1.26 -4.39 117.35 118.09 1vk6 s TYR 124 Ca 0.03 -0.39 -0.24 0.00 -0.37 0.00 0.00 57.07 56.10 1vk6 s TYR 124 Cb -0.09 -1.23 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1vk6 s TYR 124 CO 0.02 0.22 1.23 -2.14 -1.57 0.00 0.00 175.55 173.31 1vk6 s PRO 125 N -1.68 3.71 0.29 -1.71 0.02 -1.26 -4.99 135.00 129.37 1vk6 s PRO 125 Ca 0.11 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1vk6 s PRO 125 Cb -0.10 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1vk6 s PRO 125 CO 0.04 -0.64 0.48 -0.65 -0.33 0.00 0.00 177.00 175.89 1vk6 s GLN 126 N -2.61 3.50 -0.22 5.54 -1.52 -1.26 -5.08 119.66 118.01 1vk6 s GLN 126 Ca 0.63 -0.38 0.02 0.00 -1.95 0.00 0.00 55.36 53.67 1vk6 s GLN 126 Cb -0.33 -2.75 0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1vk6 s GLN 126 CO 0.40 0.27 -0.14 0.42 -0.25 0.00 0.00 175.29 175.99 1vk6 s ILE 127 N -2.13 1.99 -0.23 1.08 1.01 -1.26 -4.70 121.20 116.96 1vk6 s ILE 127 Ca 0.39 -1.23 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 1vk6 s ILE 127 Cb -0.10 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 1vk6 s ILE 127 CO 0.33 0.21 0.90 0.00 0.00 0.00 0.00 174.94 176.38 1vk6 s ALA 128 N 1.24 3.65 0.28 9.38 0.00 -0.46 -4.74 121.76 131.12 1vk6 s ALA 128 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1vk6 s ALA 128 Cb -0.17 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1vk6 s ALA 128 CO -0.09 -0.95 1.37 -1.25 0.00 0.00 0.00 175.76 174.85 1vk6 s PRO 129 N 2.92 4.31 0.02 0.00 0.04 -1.26 -0.48 135.00 140.55 1vk6 s PRO 129 Ca 0.38 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.67 1vk6 s PRO 129 Cb -0.15 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1vk6 s PRO 129 CO 0.07 -0.31 -0.05 0.00 0.04 0.00 0.00 177.00 176.75 1vk6 s ILE 131 N -0.84 4.46 -0.02 0.00 -5.25 0.16 -1.01 121.20 118.71 1vk6 s ILE 131 Ca -0.06 -0.89 0.00 0.00 -0.99 0.00 0.00 60.65 58.71 1vk6 s ILE 131 Cb -0.06 -3.19 0.02 0.00 2.95 0.00 0.00 42.46 42.18 1vk6 s ILE 131 CO -0.00 0.05 0.01 -0.51 -1.79 0.00 0.00 174.94 172.70 1vk6 s ILE 132 N -1.50 0.07 -0.03 8.37 2.07 0.25 -1.60 121.20 128.83 1vk6 s ILE 132 Ca 0.29 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 1vk6 s ILE 132 Cb -0.11 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.35 1vk6 s ILE 132 CO 0.22 0.09 0.01 0.54 -1.91 0.00 0.00 174.94 173.89 1vk6 s VAL 133 N 0.72 0.14 -0.29 4.00 0.11 0.39 0.08 120.40 125.55 1vk6 s VAL 133 Ca -0.07 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 58.96 1vk6 s VAL 133 Cb -0.09 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1vk6 s VAL 133 CO -0.02 0.15 0.41 0.00 -3.33 0.00 0.00 175.10 172.32 1vk6 s ALA 134 N 1.18 3.55 -0.30 1.54 0.00 -0.81 -2.82 121.76 124.10 1vk6 s ALA 134 Ca -0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 1vk6 s ALA 134 Cb -0.13 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 1vk6 s ALA 134 CO -0.02 -0.80 0.18 0.42 0.00 0.00 0.00 175.76 175.54 1vk6 s ILE 135 N 2.15 5.11 -0.15 0.00 1.01 -1.26 -1.49 121.20 126.57 1vk6 s ILE 135 Ca 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1vk6 s ILE 135 Cb -0.16 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 1vk6 s ILE 135 CO 0.10 0.17 0.25 -0.60 0.00 0.00 0.00 174.94 174.87 1vk6 s ARG 136 N 1.72 4.09 -0.41 2.79 3.52 0.12 -1.55 118.95 129.24 1vk6 s ARG 136 Ca 0.06 0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.73 1vk6 s ARG 136 Cb -0.16 -3.37 0.12 0.00 -1.56 0.00 0.00 34.95 29.97 1vk6 s ARG 136 CO 0.09 0.37 0.15 0.50 -0.81 0.00 0.00 175.30 175.61 1vk6 s ARG 137 N 0.08 1.47 6.32 5.12 3.52 0.10 -0.59 118.95 134.97 1vk6 s ARG 137 Ca 0.15 -2.00 0.00 0.00 -0.13 0.00 0.00 55.73 53.76 1vk6 s ARG 137 Cb -0.13 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 1vk6 s ARG 137 CO 0.04 -1.04 0.00 -0.25 -0.81 0.00 0.00 175.30 173.24 1vk6 n ASP 138 N 3.88 0.00 -1.40 -2.12 8.00 -1.26 -0.37 116.55 123.28 1vk6 n ASP 138 Ca 0.04 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.64 1vk6 n ASP 138 Cb 0.38 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.80 1vk6 n ASP 138 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1vk6 n ASP 139 N 11.30 4.10 -4.40 -2.24 5.75 -1.26 -4.90 116.55 124.90 1vk6 n ASP 139 Ca 0.00 -2.21 -0.29 0.00 -0.01 0.00 0.00 54.79 52.28 1vk6 n ASP 139 Cb 0.00 -0.51 -0.13 0.00 -1.03 0.00 0.00 41.12 39.45 1vk6 n ASP 139 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1vk6 s SER 140 N -0.93 3.37 0.03 -1.12 0.15 0.50 -0.63 113.70 115.06 1vk6 s SER 140 Ca 0.47 -0.76 0.06 0.00 0.70 0.00 0.00 55.95 56.43 1vk6 s SER 140 Cb 0.28 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1vk6 s SER 140 CO 0.27 0.17 -0.18 -0.51 1.20 0.00 0.00 173.24 174.19 1vk6 s ILE 141 N -1.15 1.45 -0.23 6.45 2.07 0.00 0.01 121.20 129.81 1vk6 s ILE 141 Ca 0.15 -1.03 -0.26 0.00 -1.41 0.00 0.00 60.65 58.10 1vk6 s ILE 141 Cb -0.10 -1.26 -0.00 0.00 0.13 0.00 0.00 42.46 41.23 1vk6 s ILE 141 CO 0.07 0.20 0.91 -0.22 -1.91 0.00 0.00 174.94 173.99 1vk6 s LEU 142 N -0.97 4.10 0.01 8.50 2.96 -0.59 -0.35 118.68 132.33 1vk6 s LEU 142 Ca 0.06 1.19 0.05 0.00 -0.22 0.00 0.00 54.13 55.20 1vk6 s LEU 142 Cb -0.08 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 43.26 1vk6 s LEU 142 CO 0.01 -0.56 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.57 1vk6 s LEU 143 N 2.90 2.08 0.10 -0.68 1.43 -0.76 -4.61 118.68 119.14 1vk6 s LEU 143 Ca 0.39 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1vk6 s LEU 143 Cb -0.15 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1vk6 s LEU 143 CO 0.07 0.14 -0.19 0.00 0.23 0.00 0.00 176.35 176.60 1vk6 s ALA 144 N -0.53 1.69 -0.15 4.21 0.00 0.11 -2.05 121.76 125.05 1vk6 s ALA 144 Ca 0.05 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 1vk6 s ALA 144 Cb -0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1vk6 s ALA 144 CO 0.00 0.31 0.21 -0.65 0.00 0.00 0.00 175.76 175.63 1vk6 s GLN 145 N -1.94 3.97 0.06 0.00 -0.21 -0.38 -0.68 119.66 120.48 1vk6 s GLN 145 Ca 0.05 -0.04 -0.08 0.00 0.02 0.00 0.00 55.36 55.32 1vk6 s GLN 145 Cb -0.10 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.52 1vk6 s GLN 145 CO 0.04 0.46 0.35 -1.01 -2.12 0.00 0.00 175.29 173.00 1vk6 s HIS 146 N -0.15 3.56 0.14 0.91 3.76 -1.26 -0.71 115.29 121.54 1vk6 s HIS 146 Ca 0.14 0.66 -0.13 0.00 -0.15 0.00 0.00 55.06 55.58 1vk6 s HIS 146 Cb -0.12 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.51 1vk6 s HIS 146 CO 0.03 0.54 1.59 1.15 -0.85 0.00 0.00 174.74 177.20 1vk6 h THR 147 N 2.77 1.26 -0.42 1.30 2.02 -1.61 -2.67 112.91 115.56 1vk6 h THR 147 Ca -0.49 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 65.72 1vk6 h THR 147 Cb 1.19 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 68.54 1vk6 h THR 147 CO 0.68 0.37 -0.09 0.03 0.37 0.00 0.00 175.52 176.87 1vk6 h ARG 148 N 0.68 0.01 0.00 6.66 2.47 -1.88 -3.29 114.38 119.03 1vk6 h ARG 148 Ca 0.13 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.73 1vk6 h ARG 148 Cb 0.50 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 1vk6 h ARG 148 CO 0.02 0.01 -0.72 0.45 0.56 0.00 0.00 179.97 180.30 1vk6 h HIS 149 N 0.01 0.00 -3.50 3.04 3.86 -1.95 -3.48 115.15 113.13 1vk6 h HIS 149 Ca 0.20 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 59.01 1vk6 h HIS 149 Cb 0.31 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.79 1vk6 h HIS 149 CO -0.36 1.17 -0.55 -2.13 0.86 0.00 0.00 177.93 176.92 1vk6 n ARG 150 N -4.52 -2.93 -0.25 2.45 3.00 -1.01 -4.91 116.66 108.50 1vk6 n ARG 150 Ca -0.22 0.95 0.11 0.00 -0.00 0.00 0.00 57.85 58.70 1vk6 n ARG 150 Cb 0.56 -5.66 0.26 0.00 0.00 0.00 0.00 32.46 27.62 1vk6 n ARG 150 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1vk6 n ASN 151 N -2.11 3.43 0.00 6.15 0.23 -1.26 -4.94 115.26 116.76 1vk6 n ASN 151 Ca -0.19 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 1vk6 n ASN 151 Cb 0.66 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1vk6 n ASN 151 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vk6 n GLY 152 N 1.52 1.08 3.72 4.83 0.00 -1.26 -5.01 105.19 110.07 1vk6 n GLY 152 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1vk6 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vk6 s VAL 153 N -3.66 5.08 -0.25 1.61 1.01 -1.26 -4.66 120.40 118.27 1vk6 s VAL 153 Ca 0.00 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 1vk6 s VAL 153 Cb 0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1vk6 s VAL 153 CO 0.00 0.27 0.36 -1.00 0.00 0.00 0.00 175.10 174.73 1vk6 s HIS 154 N 0.76 3.28 0.25 5.22 3.76 0.67 -4.43 115.29 124.80 1vk6 s HIS 154 Ca 0.34 0.44 0.05 0.00 -0.15 0.00 0.00 55.06 55.74 1vk6 s HIS 154 Cb -0.17 -2.54 -0.02 0.00 1.11 0.00 0.00 32.58 30.96 1vk6 s HIS 154 CO 0.16 -0.17 0.18 -2.37 -0.85 0.00 0.00 174.74 171.70 1vk6 n THR 155 N 4.91 0.00 -2.34 1.30 5.66 0.15 -4.11 114.28 119.85 1vk6 n THR 155 Ca -0.09 -1.76 -0.26 0.00 -3.05 0.00 0.00 64.05 58.90 1vk6 n THR 155 Cb 0.51 0.82 0.16 0.00 -1.55 0.00 0.00 70.33 70.27 1vk6 n THR 155 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1vk6 n VAL 156 N -0.50 0.00 -3.42 1.08 0.24 -1.26 0.04 118.33 114.50 1vk6 n VAL 156 Ca 0.03 -1.35 -0.36 0.00 -2.04 0.00 0.00 64.34 60.62 1vk6 n VAL 156 Cb 0.44 -1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 31.62 1vk6 n VAL 156 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vk6 s LEU 157 N 0.00 4.41 -0.00 1.34 1.43 -1.13 -4.78 118.68 119.95 1vk6 s LEU 157 Ca 0.71 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 1vk6 s LEU 157 Cb -0.03 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.22 1vk6 s LEU 157 CO 0.48 0.20 0.21 0.00 0.23 0.00 0.00 176.35 177.47 1vk6 s ALA 158 N -1.30 -0.52 0.13 4.21 0.00 -1.26 -0.46 121.76 122.56 1vk6 s ALA 158 Ca 0.32 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 1vk6 s ALA 158 Cb -0.16 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.13 1vk6 s ALA 158 CO 0.17 -0.23 0.75 0.20 0.00 0.00 0.00 175.76 176.65 1vk6 s GLY 159 N -1.36 -0.44 0.27 0.00 0.00 -0.63 -5.00 107.32 100.16 1vk6 s GLY 159 Ca -0.14 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 1vk6 s GLY 159 CO 0.03 0.15 1.31 -1.36 0.00 0.00 0.00 173.10 173.23 1vk6 s PHE 160 N -3.54 3.16 0.27 1.90 0.08 -1.26 -0.67 117.98 117.92 1vk6 s PHE 160 Ca 0.05 1.31 -0.29 0.00 0.12 0.00 0.00 56.93 58.12 1vk6 s PHE 160 Cb -0.02 -3.64 -0.10 0.00 -0.57 0.00 0.00 43.02 38.69 1vk6 s PHE 160 CO -0.07 -1.89 1.27 0.08 -0.10 0.00 0.00 175.22 174.51 1vk6 s VAL 161 N -0.55 3.06 0.40 -0.44 1.01 -0.45 -4.85 120.40 118.58 1vk6 s VAL 161 Ca 0.53 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.57 1vk6 s VAL 161 Cb -0.38 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1vk6 s VAL 161 CO 0.46 0.20 0.49 -1.61 0.00 0.00 0.00 175.10 174.63 1vk6 s GLU 162 N -1.07 2.81 0.44 2.72 2.02 -1.26 -4.88 118.70 119.48 1vk6 s GLU 162 Ca 0.51 -1.26 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 1vk6 s GLU 162 Cb -0.37 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 1vk6 s GLU 162 CO 0.45 -0.16 1.44 0.14 0.02 0.00 0.00 175.26 177.15 1vk6 s VAL 163 N -2.34 2.05 0.00 2.63 -7.23 -1.26 -2.63 120.40 111.61 1vk6 s VAL 163 Ca 0.50 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1vk6 s VAL 163 Cb -0.08 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1vk6 s VAL 163 CO 0.31 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1vk6 n GLY 164 N 0.56 0.47 3.80 2.32 0.00 -1.26 -5.02 105.19 106.06 1vk6 n GLY 164 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1vk6 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vk6 s GLU 165 N -0.55 3.09 0.83 1.61 2.02 -1.08 -5.11 118.70 119.51 1vk6 s GLU 165 Ca 0.00 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 1vk6 s GLU 165 Cb 0.00 -2.87 0.09 0.00 0.10 0.00 0.00 34.13 31.45 1vk6 s GLU 165 CO 0.00 0.63 1.17 0.95 0.02 0.00 0.00 175.26 178.02 1vk6 s THR 166 N -1.28 2.05 0.21 3.63 -4.23 -1.26 -4.88 115.64 109.88 1vk6 s THR 166 Ca 0.26 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.69 1vk6 s THR 166 Cb -0.12 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1vk6 s THR 166 CO 0.17 -0.02 1.87 -0.07 -0.54 0.00 0.00 174.62 176.04 1vk6 h LEU 167 N -1.16 0.93 -0.63 4.79 3.38 -1.99 -1.54 115.31 119.10 1vk6 h LEU 167 Ca -0.47 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1vk6 h LEU 167 Cb 1.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1vk6 h LEU 167 CO 0.65 0.70 0.30 -0.33 0.09 0.00 0.00 178.44 179.84 1vk6 h GLU 168 N 1.07 0.90 -0.20 1.13 3.07 -2.00 0.11 114.58 118.67 1vk6 h GLU 168 Ca 0.29 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 1vk6 h GLU 168 Cb -0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 1vk6 h GLU 168 CO -0.06 0.73 -0.30 1.96 -1.40 0.00 0.00 179.01 179.94 1vk6 h GLN 169 N 0.86 0.38 -0.58 2.33 4.20 -1.90 -2.39 115.11 118.02 1vk6 h GLN 169 Ca 0.21 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1vk6 h GLN 169 Cb 0.13 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1vk6 h GLN 169 CO -0.03 0.65 -0.05 0.00 -0.67 0.00 0.00 178.83 178.73 1vk6 h ALA 170 N 1.35 0.81 0.69 3.87 0.00 -0.45 -0.88 119.26 124.65 1vk6 h ALA 170 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1vk6 h ALA 170 Cb 0.70 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vk6 h ALA 170 CO 0.05 0.67 -0.33 0.28 0.00 0.00 0.00 179.25 179.92 1vk6 h VAL 171 N 0.95 0.32 -0.29 0.00 2.07 -0.81 -1.02 116.25 117.47 1vk6 h VAL 171 Ca 0.16 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1vk6 h VAL 171 Cb 0.62 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1vk6 h VAL 171 CO 0.04 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.68 1vk6 h ALA 172 N -0.63 0.30 -0.00 1.67 0.00 -1.43 -1.46 119.26 117.71 1vk6 h ALA 172 Ca -0.10 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vk6 h ALA 172 Cb 0.72 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1vk6 h ALA 172 CO 0.16 -0.37 -0.11 -0.09 0.00 0.00 0.00 179.25 178.84 1vk6 h ARG 173 N 0.15 -0.18 -0.54 0.00 2.43 -1.13 -3.14 114.38 111.97 1vk6 h ARG 173 Ca 0.14 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1vk6 h ARG 173 Cb 0.16 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1vk6 h ARG 173 CO -0.19 -0.12 0.35 1.49 -1.51 0.00 0.00 179.97 179.99 1vk6 h GLU 174 N -0.18 0.70 -0.07 0.20 4.57 -0.92 0.11 114.58 118.99 1vk6 h GLU 174 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vk6 h GLU 174 Cb 0.23 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1vk6 h GLU 174 CO -0.11 0.46 0.00 0.28 -1.18 0.00 0.00 179.01 178.46 1vk6 n VAL 175 N -4.72 0.00 0.00 0.32 0.31 -0.57 -1.25 118.33 112.42 1vk6 n VAL 175 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1vk6 n VAL 175 Cb 0.03 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1vk6 n VAL 175 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vk6 n GLU 177 N 0.35 0.00 0.07 5.55 1.02 0.39 -0.93 120.64 127.08 1vk6 n GLU 177 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1vk6 n GLU 177 Cb 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.41 1vk6 n GLU 177 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1vk6 h GLU 178 N 0.00 0.35 0.00 3.49 5.08 -1.43 -3.40 114.58 118.67 1vk6 h GLU 178 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1vk6 h GLU 178 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1vk6 h GLU 178 CO 0.00 1.06 -0.09 -1.13 -1.00 0.00 0.00 179.01 177.85 1vk6 n SER 179 N -3.72 0.46 -0.55 1.42 3.41 -0.11 -2.16 113.62 112.37 1vk6 n SER 179 Ca -0.06 -0.21 -0.07 0.00 -0.26 0.00 0.00 58.87 58.27 1vk6 n SER 179 Cb 0.82 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 1vk6 n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk6 n GLY 180 N 0.66 0.90 3.83 5.00 0.00 -1.09 -1.51 105.19 112.97 1vk6 n GLY 180 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1vk6 n GLY 180 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vk6 s ILE 181 N -2.14 4.84 -0.16 -0.61 -0.00 -1.26 -4.30 121.20 117.59 1vk6 s ILE 181 Ca 0.00 -0.67 -0.08 0.00 -0.00 0.00 0.00 60.65 59.90 1vk6 s ILE 181 Cb 0.00 -3.37 -0.04 0.00 -0.00 0.00 0.00 42.46 39.05 1vk6 s ILE 181 CO 0.00 0.10 0.11 -0.75 -0.00 0.00 0.00 174.94 174.40 1vk6 s LYS 182 N -2.54 3.79 0.35 0.37 2.20 0.39 -4.86 119.74 119.45 1vk6 s LYS 182 Ca 0.32 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.78 1vk6 s LYS 182 Cb -0.12 -3.25 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1vk6 s LYS 182 CO 0.24 0.50 0.08 0.14 -0.36 0.00 0.00 175.35 175.95 1vk6 s VAL 183 N -0.23 2.71 0.34 4.02 -7.23 -1.26 -0.35 120.40 118.38 1vk6 s VAL 183 Ca 0.10 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1vk6 s VAL 183 Cb -0.12 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 1vk6 s VAL 183 CO 0.01 -0.16 0.25 2.29 -0.31 0.00 0.00 175.10 177.18 1vk6 n LYS 184 N -1.06 0.43 -3.85 4.82 0.00 -0.22 -4.75 118.16 113.53 1vk6 n LYS 184 Ca -0.03 -3.28 -0.27 0.00 -0.00 0.00 0.00 58.31 54.72 1vk6 n LYS 184 Cb 0.62 2.53 0.03 0.00 -0.00 0.00 0.00 35.03 38.21 1vk6 n LYS 184 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1vk6 n ASN 185 N -1.68 -3.47 -4.70 -5.58 2.85 -1.26 -1.31 115.26 100.11 1vk6 n ASN 185 Ca 0.05 -0.80 -0.42 0.00 -0.11 0.00 0.00 54.58 53.30 1vk6 n ASN 185 Cb 0.59 -3.91 -0.03 0.00 1.24 0.00 0.00 39.78 37.67 1vk6 n ASN 185 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1vk6 s LEU 186 N -7.08 4.38 -0.02 1.20 2.96 -1.26 -4.24 118.68 114.63 1vk6 s LEU 186 Ca 0.43 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 57.03 1vk6 s LEU 186 Cb -0.21 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.92 1vk6 s LEU 186 CO 0.83 -0.95 0.02 0.00 -1.32 0.00 0.00 176.35 174.93 1vk6 s ARG 187 N 2.22 -0.02 0.17 1.98 1.70 -1.26 -5.00 118.95 118.74 1vk6 s ARG 187 Ca 0.77 0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.86 1vk6 s ARG 187 Cb -0.45 -0.20 -0.08 0.00 -0.57 0.00 0.00 34.95 33.65 1vk6 s ARG 187 CO 0.34 -0.13 1.25 -0.47 -1.08 0.00 0.00 175.30 175.21 1vk6 s TYR 188 N 0.81 3.35 -0.05 5.89 5.04 -1.26 -4.32 117.35 126.81 1vk6 s TYR 188 Ca -0.07 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1vk6 s TYR 188 Cb -0.10 -3.51 -0.03 0.00 0.35 0.00 0.00 41.96 38.67 1vk6 s TYR 188 CO -0.02 -1.54 -0.04 1.33 -1.34 0.00 0.00 175.55 173.93 1vk6 n VAL 189 N 2.85 0.29 -3.87 3.14 0.24 0.17 -4.98 118.33 116.16 1vk6 n VAL 189 Ca 0.06 -0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.20 1vk6 n VAL 189 Cb 0.44 -0.69 0.02 0.00 -1.47 0.00 0.00 33.84 32.14 1vk6 n VAL 189 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1vk6 n THR 190 N -2.62 0.00 -3.98 3.34 5.66 -1.20 -5.03 114.28 110.44 1vk6 n THR 190 Ca -0.09 -0.64 -0.09 0.00 -3.05 0.00 0.00 64.05 60.18 1vk6 n THR 190 Cb 0.60 0.81 -0.11 0.00 -1.55 0.00 0.00 70.33 70.08 1vk6 n THR 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1vk6 s SER 191 N -3.35 0.26 -0.06 1.09 1.04 -1.26 -0.82 113.70 110.60 1vk6 s SER 191 Ca 0.21 -0.52 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 1vk6 s SER 191 Cb -0.03 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1vk6 s SER 191 CO 0.07 -0.31 0.28 -1.10 0.98 0.00 0.00 173.24 173.16 1vk6 s GLN 192 N -1.54 0.51 0.54 4.02 -1.52 -1.26 -5.02 119.66 115.39 1vk6 s GLN 192 Ca -0.15 0.05 -0.19 0.00 -1.95 0.00 0.00 55.36 53.11 1vk6 s GLN 192 Cb -0.09 0.23 -0.06 0.00 -0.22 0.00 0.00 33.01 32.87 1vk6 s GLN 192 CO -0.01 -0.11 1.12 -1.25 -0.25 0.00 0.00 175.29 174.79 1vk6 s PRO 193 N -0.68 3.37 -0.07 2.91 0.04 -1.26 -4.59 135.00 134.72 1vk6 s PRO 193 Ca -0.08 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.60 1vk6 s PRO 193 Cb -0.04 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1vk6 s PRO 193 CO 0.02 -0.83 -0.23 -0.46 0.04 0.00 0.00 177.00 175.55 1vk6 s TRP 194 N -1.81 2.30 0.04 0.56 -0.11 0.25 -4.98 118.94 115.19 1vk6 s TRP 194 Ca 0.72 -0.77 0.07 0.00 1.22 0.00 0.00 56.10 57.35 1vk6 s TRP 194 Cb -0.23 -1.53 -0.23 0.00 -1.50 0.00 0.00 33.47 29.98 1vk6 s TRP 194 CO 0.27 -0.27 0.99 -1.00 -4.62 0.00 0.00 176.95 172.32 1vk6 h PRO 195 N 6.32 0.04 -1.84 5.86 0.13 -1.87 0.14 132.00 140.78 1vk6 h PRO 195 Ca -0.28 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1vk6 h PRO 195 Cb 1.19 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 1vk6 h PRO 195 CO 0.47 0.84 -0.41 0.12 -0.23 0.00 0.00 178.00 178.78 1vk6 s PHE 196 N -2.65 -0.98 0.32 1.56 5.36 -1.26 -3.04 117.98 117.28 1vk6 s PHE 196 Ca -0.03 1.15 -0.29 0.00 -0.96 0.00 0.00 56.93 56.81 1vk6 s PHE 196 Cb 0.09 0.19 -0.10 0.00 -0.34 0.00 0.00 43.02 42.85 1vk6 s PHE 196 CO 0.83 -0.71 1.41 -1.25 -1.46 0.00 0.00 175.22 174.04 1vk6 s PRO 197 N 2.62 4.25 0.04 10.12 0.04 -1.26 -4.98 135.00 145.83 1vk6 s PRO 197 Ca 0.11 2.36 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 1vk6 s PRO 197 Cb -0.15 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1vk6 s PRO 197 CO -0.16 -0.37 1.85 -1.14 0.04 0.00 0.00 177.00 177.21 1vk6 s GLN 198 N -1.43 4.15 0.13 4.56 0.74 -1.17 -4.85 119.66 121.79 1vk6 s GLN 198 Ca 0.54 2.50 -0.08 0.00 0.05 0.00 0.00 55.36 58.37 1vk6 s GLN 198 Cb -0.43 -3.96 -0.01 0.00 1.10 0.00 0.00 33.01 29.71 1vk6 s GLN 198 CO 0.53 -0.89 0.21 -1.12 -0.55 0.00 0.00 175.29 173.47 1vk6 s SER 199 N 3.69 0.12 0.00 6.67 0.01 0.49 -1.35 113.70 123.33 1vk6 s SER 199 Ca 0.82 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1vk6 s SER 199 Cb -0.41 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1vk6 s SER 199 CO 0.37 -0.80 0.00 -0.11 0.41 0.00 0.00 173.24 173.11 1vk6 n LEU 200 N -0.13 0.00 -3.52 2.44 7.94 0.37 -0.58 117.00 123.51 1vk6 n LEU 200 Ca -0.10 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1vk6 n LEU 200 Cb 0.63 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.52 1vk6 n LEU 200 CO 0.24 -0.04 0.67 0.42 -1.11 0.00 0.00 177.39 177.58 1vk6 s THR 202 N -0.84 -0.23 -0.20 1.96 -4.23 -0.18 -0.55 115.64 111.38 1vk6 s THR 202 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1vk6 s THR 202 Cb 0.00 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 1vk6 s THR 202 CO 0.00 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.21 1vk6 s ALA 203 N 1.84 3.66 0.00 3.99 0.00 -0.00 -0.59 121.76 130.65 1vk6 s ALA 203 Ca -0.06 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1vk6 s ALA 203 Cb -0.05 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1vk6 s ALA 203 CO -0.16 0.11 0.00 1.19 0.00 0.00 0.00 175.76 176.90 1vk6 n PHE 204 N 3.63 0.00 0.00 0.00 3.01 0.11 -0.66 117.46 123.56 1vk6 n PHE 204 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1vk6 n PHE 204 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1vk6 n PHE 204 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vk6 n ALA 206 N -3.00 0.00 -2.51 4.37 0.00 -0.55 -1.93 120.51 116.88 1vk6 n ALA 206 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1vk6 n ALA 206 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1vk6 n ALA 206 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1vk6 s GLU 207 N -2.08 2.32 0.24 0.00 2.02 -0.43 -0.70 118.70 120.06 1vk6 s GLU 207 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 1vk6 s GLU 207 Cb 0.00 -2.33 -0.12 0.00 0.10 0.00 0.00 34.13 31.78 1vk6 s GLU 207 CO 0.00 0.58 1.61 0.98 0.02 0.00 0.00 175.26 178.45 1vk6 n TYR 208 N 1.68 2.65 -0.04 1.61 9.36 0.24 -1.06 117.16 131.61 1vk6 n TYR 208 Ca -0.16 0.21 -0.08 0.00 3.32 0.00 0.00 57.90 61.19 1vk6 n TYR 208 Cb 0.52 -2.60 -0.03 0.00 -0.63 0.00 0.00 39.34 36.61 1vk6 n TYR 208 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1vk6 n ASP 209 N 2.90 1.45 -3.54 2.98 2.03 0.52 -4.71 116.55 118.19 1vk6 n ASP 209 Ca 0.12 0.23 -0.10 0.00 0.52 0.00 0.00 54.79 55.57 1vk6 n ASP 209 Cb 0.34 -0.53 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1vk6 n ASP 209 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1vk6 s SER 210 N -6.06 -0.44 0.00 1.67 1.04 -0.86 -4.99 113.70 104.06 1vk6 s SER 210 Ca -0.17 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1vk6 s SER 210 Cb 0.04 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1vk6 s SER 210 CO 0.25 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1vk6 n GLY 211 N -0.37 2.48 3.49 7.32 0.00 -1.26 -0.46 105.19 116.39 1vk6 n GLY 211 Ca -0.12 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 1vk6 n GLY 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vk6 s ASP 212 N 0.00 4.02 -0.06 1.61 1.01 -1.26 -4.92 116.67 117.08 1vk6 s ASP 212 Ca 0.00 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.67 1vk6 s ASP 212 Cb 0.00 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 43.11 1vk6 s ASP 212 CO 0.00 0.29 1.56 -0.63 0.21 0.00 0.00 175.17 176.60 1vk6 s ILE 213 N -0.87 3.67 -0.21 0.77 1.01 -1.26 -4.62 121.20 119.69 1vk6 s ILE 213 Ca 0.14 0.87 -0.03 0.00 0.00 0.00 0.00 60.65 61.64 1vk6 s ILE 213 Cb -0.11 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.86 1vk6 s ILE 213 CO 0.04 -0.06 0.04 0.54 0.00 0.00 0.00 174.94 175.50 1vk6 s VAL 214 N 3.64 0.52 0.16 2.92 0.11 -0.57 -5.03 120.40 122.16 1vk6 s VAL 214 Ca 0.69 -0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1vk6 s VAL 214 Cb -0.32 -1.07 -0.07 0.00 -1.53 0.00 0.00 36.38 33.39 1vk6 s VAL 214 CO 0.27 -0.26 0.90 0.27 -3.33 0.00 0.00 175.10 172.95 1vk6 s ILE 215 N 1.85 4.34 -0.39 7.04 -5.25 -1.26 -3.91 121.20 123.62 1vk6 s ILE 215 Ca 0.00 1.96 -0.29 0.00 -0.99 0.00 0.00 60.65 61.33 1vk6 s ILE 215 Cb -0.17 -4.27 0.01 0.00 2.95 0.00 0.00 42.46 40.98 1vk6 s ILE 215 CO -0.10 0.43 1.44 -0.62 -1.79 0.00 0.00 174.94 174.30 1vk6 s ASP 216 N -0.67 6.33 0.53 4.36 2.15 -0.92 -4.90 116.67 123.55 1vk6 s ASP 216 Ca 0.42 0.93 0.31 0.00 0.43 0.00 0.00 52.55 54.64 1vk6 s ASP 216 Cb -0.24 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.25 1vk6 s ASP 216 CO 0.29 -1.42 2.02 -0.65 -0.17 0.00 0.00 175.17 175.24 1vk6 h PRO 217 N 10.75 0.00 0.00 4.34 0.11 -1.93 0.20 132.00 145.47 1vk6 h PRO 217 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1vk6 h PRO 217 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1vk6 h PRO 217 CO 1.07 0.09 -0.18 0.87 -0.21 0.00 0.00 178.00 179.64 1vk6 h LYS 218 N 0.00 0.00 0.00 1.05 1.57 -2.01 -3.33 116.57 113.85 1vk6 h LYS 218 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1vk6 h LYS 218 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1vk6 h LYS 218 CO 0.01 0.18 -2.24 0.39 -0.57 0.00 0.00 179.45 177.22 1vk6 n GLU 219 N -3.88 0.51 -4.43 3.15 -0.58 0.07 -4.81 120.64 110.67 1vk6 n GLU 219 Ca -0.02 0.16 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1vk6 n GLU 219 Cb 0.27 -1.37 -0.14 0.00 -0.57 0.00 0.00 31.44 29.63 1vk6 n GLU 219 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1vk6 s LEU 220 N -6.70 2.11 -0.14 -4.62 1.43 0.48 -1.68 118.68 109.56 1vk6 s LEU 220 Ca -0.30 -0.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.18 1vk6 s LEU 220 Cb 0.10 -0.61 -0.25 0.00 0.03 0.00 0.00 46.19 45.45 1vk6 s LEU 220 CO 0.45 0.08 0.65 -0.07 0.23 0.00 0.00 176.35 177.68 1vk6 h LEU 221 N 5.29 0.09 -7.81 1.79 3.38 -1.18 -3.37 115.31 113.50 1vk6 h LEU 221 Ca -0.36 -0.87 -0.13 0.00 0.09 0.00 0.00 57.88 56.60 1vk6 h LEU 221 Cb 1.17 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 1vk6 h LEU 221 CO 0.46 1.21 -0.50 -0.70 0.09 0.00 0.00 178.44 179.00 1vk6 s GLU 222 N -2.30 0.55 -0.18 1.13 -6.30 -1.21 -5.01 118.70 105.39 1vk6 s GLU 222 Ca -0.21 -0.58 -0.15 0.00 -2.50 0.00 0.00 54.97 51.53 1vk6 s GLU 222 Cb 0.00 0.22 0.05 0.00 0.00 0.00 0.00 34.13 34.40 1vk6 s GLU 222 CO 0.69 -0.14 0.47 0.00 0.02 0.00 0.00 175.26 176.30 1vk6 s ALA 223 N -2.06 -1.17 0.26 6.30 0.00 -1.26 -1.25 121.76 122.57 1vk6 s ALA 223 Ca -0.09 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 1vk6 s ALA 223 Cb -0.04 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1vk6 s ALA 223 CO -0.02 -0.24 0.59 1.21 0.00 0.00 0.00 175.76 177.31 1vk6 s ASN 224 N 0.52 -0.19 -0.08 0.00 3.84 -0.87 -5.02 114.94 113.14 1vk6 s ASN 224 Ca -0.02 -0.73 -0.20 0.00 0.21 0.00 0.00 52.86 52.12 1vk6 s ASN 224 Cb -0.04 0.65 -0.04 0.00 -0.55 0.00 0.00 41.25 41.27 1vk6 s ASN 224 CO -0.03 -1.23 0.55 0.26 -2.79 0.00 0.00 177.10 173.87 1vk6 s TRP 225 N -3.96 3.56 -0.09 0.43 0.52 -1.26 -1.82 118.94 116.32 1vk6 s TRP 225 Ca 0.16 1.04 0.05 0.00 0.02 0.00 0.00 56.10 57.36 1vk6 s TRP 225 Cb -0.03 -2.62 -0.00 0.00 -1.15 0.00 0.00 33.47 29.67 1vk6 s TRP 225 CO 0.07 0.19 -0.24 0.71 0.02 0.00 0.00 176.95 177.69 1vk6 s TYR 226 N 0.49 2.52 0.31 -1.98 1.51 0.52 -4.87 117.35 115.87 1vk6 s TYR 226 Ca 0.30 -0.96 -0.29 0.00 -1.01 0.00 0.00 57.07 55.11 1vk6 s TYR 226 Cb -0.16 -1.68 -0.12 0.00 -0.11 0.00 0.00 41.96 39.89 1vk6 s TYR 226 CO 0.14 -0.36 1.46 -2.13 -1.11 0.00 0.00 175.55 173.55 1vk6 n ARG 227 N 3.35 2.44 0.22 -0.62 0.63 -1.26 -0.82 116.66 120.61 1vk6 n ARG 227 Ca -0.19 0.86 0.08 0.00 -0.92 0.00 0.00 57.85 57.68 1vk6 n ARG 227 Cb 0.53 -2.56 0.62 0.00 0.45 0.00 0.00 32.46 31.49 1vk6 n ARG 227 CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 1vk6 h TYR 228 N 3.73 0.06 -0.28 -0.14 -0.00 -1.22 -2.05 116.97 117.07 1vk6 h TYR 228 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.26 1vk6 h TYR 228 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.96 1vk6 h TYR 228 CO 0.55 0.04 0.00 -0.40 -0.00 0.00 0.00 178.16 178.35 1vk6 n ASP 229 N -4.53 2.90 -3.32 0.10 5.75 -1.26 -4.53 116.55 111.66 1vk6 n ASP 229 Ca -0.02 -1.91 -0.26 0.00 -0.01 0.00 0.00 54.79 52.59 1vk6 n ASP 229 Cb 0.10 -0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 1vk6 n ASP 229 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1vk6 n ASP 230 N 1.15 0.06 -4.85 -1.12 2.03 -0.77 -5.12 116.55 107.92 1vk6 n ASP 230 Ca 0.18 -2.58 -0.33 0.00 0.52 0.00 0.00 54.79 52.58 1vk6 n ASP 230 Cb 0.53 -0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 40.27 1vk6 n ASP 230 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1vk6 s LEU 231 N -0.63 4.17 0.00 -2.67 1.43 -1.25 -4.28 118.68 115.46 1vk6 s LEU 231 Ca 0.34 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1vk6 s LEU 231 Cb 0.10 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1vk6 s LEU 231 CO -0.15 0.27 0.00 -0.81 0.23 0.00 0.00 176.35 175.89 1vk6 n PRO 232 N 1.06 1.27 -2.19 1.29 -0.04 -1.26 -4.95 135.00 130.19 1vk6 n PRO 232 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1vk6 n PRO 232 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1vk6 n PRO 232 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1vk6 s LEU 233 N 0.00 4.36 0.34 1.53 2.96 -1.26 -4.94 118.68 121.67 1vk6 s LEU 233 Ca 0.00 2.26 0.08 0.00 -0.22 0.00 0.00 54.13 56.25 1vk6 s LEU 233 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1vk6 s LEU 233 CO 0.00 -0.67 0.15 -0.76 -1.32 0.00 0.00 176.35 173.76 1vk6 s LEU 234 N 1.49 3.29 0.91 -0.68 1.43 -1.26 -0.24 118.68 123.61 1vk6 s LEU 234 Ca 0.64 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1vk6 s LEU 234 Cb -0.35 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.23 1vk6 s LEU 234 CO 0.29 -0.30 1.10 -2.16 0.23 0.00 0.00 176.35 175.51 1vk6 s PRO 235 N -3.86 1.15 0.56 1.29 0.04 -1.26 -4.83 135.00 128.08 1vk6 s PRO 235 Ca 0.38 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.34 1vk6 s PRO 235 Cb -0.03 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 1vk6 s PRO 235 CO 0.23 -2.40 1.28 -2.14 0.04 0.00 0.00 177.00 174.01 1vk6 s PRO 236 N -4.78 3.13 0.42 0.56 0.02 -1.26 -4.74 135.00 128.35 1vk6 s PRO 236 Ca 0.64 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 63.46 1vk6 s PRO 236 Cb -0.20 -2.16 -0.10 0.00 0.02 0.00 0.00 34.50 32.06 1vk6 s PRO 236 CO 0.58 -1.14 1.19 -2.30 -0.33 0.00 0.00 177.00 174.99 1vk6 n PRO 237 N -1.18 1.72 0.00 5.54 -0.02 -1.26 -2.24 135.00 137.57 1vk6 n PRO 237 Ca 0.11 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1vk6 n PRO 237 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1vk6 n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vk6 n GLY 238 N 0.94 2.50 3.87 -1.23 0.00 -1.26 -4.98 105.19 105.03 1vk6 n GLY 238 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1vk6 n GLY 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vk6 s THR 239 N -2.42 4.73 0.16 2.61 -4.23 -0.95 -4.92 115.64 110.62 1vk6 s THR 239 Ca 0.00 0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 61.11 1vk6 s THR 239 Cb 0.00 -3.82 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1vk6 s THR 239 CO 0.00 -0.91 1.79 0.58 -0.54 0.00 0.00 174.62 175.54 1vk6 h VAL 240 N 0.22 1.01 -0.55 2.29 2.07 -1.97 -0.49 116.25 118.85 1vk6 h VAL 240 Ca -0.46 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 66.99 1vk6 h VAL 240 Cb 1.19 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 1vk6 h VAL 240 CO 0.62 0.08 0.17 0.00 0.02 0.00 0.00 177.57 178.46 1vk6 h ALA 241 N 1.20 0.66 -0.37 1.67 0.00 -1.93 -0.06 119.26 120.43 1vk6 h ALA 241 Ca 0.17 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1vk6 h ALA 241 Cb 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vk6 h ALA 241 CO -0.09 -0.25 -0.33 -0.09 0.00 0.00 0.00 179.25 178.50 1vk6 h ARG 242 N 0.33 0.88 -0.59 0.00 9.65 -1.68 -2.36 114.38 120.61 1vk6 h ARG 242 Ca 0.27 -0.45 -0.06 0.00 -1.10 0.00 0.00 59.98 58.64 1vk6 h ARG 242 Cb 0.34 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1vk6 h ARG 242 CO -0.31 1.09 0.11 0.00 2.80 0.00 0.00 179.97 183.67 1vk6 h ARG 243 N 0.69 0.94 -0.50 0.20 3.08 -0.65 0.03 114.38 118.16 1vk6 h ARG 243 Ca 0.07 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1vk6 h ARG 243 Cb 0.91 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1vk6 h ARG 243 CO 0.08 0.86 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.63 1vk6 h LEU 244 N 0.89 0.95 -0.34 3.04 3.38 -0.90 -1.25 115.31 121.07 1vk6 h LEU 244 Ca 0.18 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1vk6 h LEU 244 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1vk6 h LEU 244 CO 0.01 1.08 0.05 0.40 0.09 0.00 0.00 178.44 180.07 1vk6 h ILE 245 N 0.84 1.24 -0.03 1.22 2.04 -1.04 -2.83 117.51 118.94 1vk6 h ILE 245 Ca 0.13 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1vk6 h ILE 245 Cb 0.69 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1vk6 h ILE 245 CO 0.05 0.28 -0.34 -0.33 0.00 0.00 0.00 178.15 177.81 1vk6 h GLU 246 N 0.40 0.05 -0.18 2.37 4.39 -0.76 -1.31 114.58 119.55 1vk6 h GLU 246 Ca 0.10 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1vk6 h GLU 246 Cb 0.37 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1vk6 h GLU 246 CO 0.01 0.39 -0.43 -0.44 -1.16 0.00 0.00 179.01 177.38 1vk6 h ASP 247 N 0.05 0.45 -0.18 1.42 3.32 -1.23 -0.83 116.42 119.42 1vk6 h ASP 247 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1vk6 h ASP 247 Cb 0.63 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1vk6 h ASP 247 CO 0.05 0.83 0.04 0.74 -1.72 0.00 0.00 179.24 179.18 1vk6 h THR 248 N 0.35 1.21 -0.95 0.35 2.02 -1.14 -2.61 112.91 112.14 1vk6 h THR 248 Ca 0.03 -0.66 0.10 0.00 0.77 0.00 0.00 66.41 66.65 1vk6 h THR 248 Cb 0.90 1.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.53 1vk6 h THR 248 CO 0.08 0.20 0.59 0.58 0.37 0.00 0.00 175.52 177.34 1vk6 h VAL 249 N 0.10 0.97 0.00 3.16 2.07 -1.08 -1.37 116.25 120.09 1vk6 h VAL 249 Ca 0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1vk6 h VAL 249 Cb 0.27 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1vk6 h VAL 249 CO 0.00 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1vk6 n ALA 250 N -2.36 1.61 0.00 1.67 0.00 -0.33 -0.97 120.51 120.13 1vk6 n ALA 250 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1vk6 n ALA 250 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1vk6 n ALA 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vk6 h ARG 253 N 0.00 0.99 -0.40 0.00 3.08 -1.31 -2.30 114.38 114.43 1vk6 h ARG 253 Ca 0.00 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1vk6 h ARG 253 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1vk6 h ARG 253 CO 0.00 0.65 -0.02 0.00 -1.07 0.00 0.00 179.97 179.53 1vk6 h ALA 254 N 1.52 1.21 -1.39 0.04 0.00 -1.66 -2.76 119.26 116.23 1vk6 h ALA 254 Ca 0.30 -0.25 -0.79 0.00 0.00 0.00 0.00 54.91 54.18 1vk6 h ALA 254 Cb -0.04 -0.17 -0.23 0.00 0.00 0.00 0.00 17.79 17.36 1vk6 h ALA 254 CO -0.08 0.52 1.36 -0.85 0.00 0.00 0.00 179.25 180.20 1vk6 n GLU 255 N -4.23 4.40 0.00 0.00 0.00 -0.87 -5.24 120.64 114.70 1vk6 n GLU 255 Ca 0.02 -4.16 0.00 0.00 0.00 0.00 0.00 57.16 53.02 1vk6 n GLU 255 Cb 0.29 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.09 1vk6 n GLU 255 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79