#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk9 s SER -9 N 0.00 7.06 0.00 1.61 0.15 -1.26 -4.92 113.70 116.34 1vk9 s SER -9 Ca 0.00 2.05 0.21 0.00 0.70 0.00 0.00 55.95 58.92 1vk9 s SER -9 Cb 0.00 -2.58 1.11 0.00 -1.71 0.00 0.00 66.02 62.84 1vk9 s SER -9 CO 0.00 -0.47 1.68 0.47 1.20 0.00 0.00 173.24 176.11 1vk9 n ASP -8 N 3.82 0.00 0.00 5.45 8.00 -1.26 -2.17 116.55 130.39 1vk9 n ASP -8 Ca 0.09 -0.13 0.12 0.00 0.71 0.00 0.00 54.79 55.57 1vk9 n ASP -8 Cb 0.46 -0.24 0.16 0.00 -0.02 0.00 0.00 41.12 41.48 1vk9 n ASP -8 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vk9 n LYS -7 N -1.24 0.03 -3.77 -1.24 5.02 -1.26 -4.83 118.16 110.87 1vk9 n LYS -7 Ca 0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 1vk9 n LYS -7 Cb 0.15 -1.51 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 1vk9 n LYS -7 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vk9 s ILE -6 N -3.02 3.79 -0.20 -0.18 1.01 -0.92 -5.07 121.20 116.60 1vk9 s ILE -6 Ca 0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1vk9 s ILE -6 Cb 0.17 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1vk9 s ILE -6 CO 0.74 -0.06 -0.12 -1.00 0.00 0.00 0.00 174.94 174.50 1vk9 s HIS -5 N 1.43 2.87 0.35 3.97 3.76 -1.26 -4.84 115.29 121.57 1vk9 s HIS -5 Ca 0.00 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.36 1vk9 s HIS -5 Cb -0.18 -2.01 -0.09 0.00 1.11 0.00 0.00 32.58 31.40 1vk9 s HIS -5 CO 0.02 -0.67 1.10 -1.01 -0.85 0.00 0.00 174.74 173.33 1vk9 s HIS -4 N 1.38 3.35 -0.30 1.40 3.76 -1.26 -5.05 115.29 118.57 1vk9 s HIS -4 Ca 0.05 1.64 0.03 0.00 -0.15 0.00 0.00 55.06 56.64 1vk9 s HIS -4 Cb -0.14 -3.26 0.08 0.00 1.11 0.00 0.00 32.58 30.37 1vk9 s HIS -4 CO -0.08 -0.77 -0.02 -1.01 -0.85 0.00 0.00 174.74 172.01 1vk9 s HIS -3 N -1.39 3.29 -0.36 1.40 3.76 -1.26 -5.06 115.29 115.68 1vk9 s HIS -3 Ca 0.52 -2.53 -0.00 0.00 -0.15 0.00 0.00 55.06 52.90 1vk9 s HIS -3 Cb -0.28 -2.32 0.09 0.00 1.11 0.00 0.00 32.58 31.18 1vk9 s HIS -3 CO 0.36 -0.90 0.10 -1.01 -0.85 0.00 0.00 174.74 172.44 1vk9 s HIS -2 N 1.08 3.55 0.00 1.40 3.76 -1.26 -4.95 115.29 118.87 1vk9 s HIS -2 Ca 0.01 -2.45 0.00 0.00 -0.15 0.00 0.00 55.06 52.47 1vk9 s HIS -2 Cb -0.19 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.67 1vk9 s HIS -2 CO -0.08 -0.92 0.00 0.72 -0.85 0.00 0.00 174.74 173.61 1vk9 n HIS -1 N 4.50 0.00 -4.32 1.40 8.25 -1.26 -4.78 115.22 119.00 1vk9 n HIS -1 Ca -0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1vk9 n HIS -1 Cb 0.42 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.40 1vk9 n HIS -1 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1vk9 s HIS 0 N -1.19 1.93 -0.03 4.41 2.46 -1.26 -4.74 115.29 116.87 1vk9 s HIS 0 Ca 0.00 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.13 1vk9 s HIS 0 Cb 0.00 -1.06 -0.03 0.00 -0.13 0.00 0.00 32.58 31.36 1vk9 s HIS 0 CO 0.00 0.24 -0.03 0.54 -2.47 0.00 0.00 174.74 173.02 1vk9 s VAL 1 N -1.13 3.96 0.06 0.89 0.11 -1.26 -4.90 120.40 118.13 1vk9 s VAL 1 Ca 0.08 -0.56 -0.31 0.00 -2.93 0.00 0.00 61.98 58.27 1vk9 s VAL 1 Cb -0.10 -2.71 -0.06 0.00 -1.53 0.00 0.00 36.38 31.98 1vk9 s VAL 1 CO 0.05 0.47 1.34 -1.61 -3.33 0.00 0.00 175.10 172.01 1vk9 s GLU 2 N -1.25 4.34 0.61 1.54 8.01 -1.26 -4.91 118.70 125.78 1vk9 s GLU 2 Ca 0.16 1.95 0.38 0.00 0.01 0.00 0.00 54.97 57.48 1vk9 s GLU 2 Cb -0.11 -3.38 1.92 0.00 -4.31 0.00 0.00 34.13 28.25 1vk9 s GLU 2 CO 0.06 -0.43 2.20 0.87 0.01 0.00 0.00 175.26 177.97 1vk9 h LYS 3 N 7.12 0.00 0.00 1.61 6.56 -2.00 -2.13 116.57 127.73 1vk9 h LYS 3 Ca -0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1vk9 h LYS 3 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1vk9 h LYS 3 CO 0.86 0.02 -0.70 0.27 -2.06 0.00 0.00 179.45 177.84 1vk9 n ASN 4 N -3.18 0.66 0.09 0.86 6.94 -1.26 -2.29 115.26 117.09 1vk9 n ASN 4 Ca -0.02 0.03 -0.22 0.00 -0.02 0.00 0.00 54.58 54.35 1vk9 n ASN 4 Cb 0.17 0.30 -0.15 0.00 -2.36 0.00 0.00 39.78 37.75 1vk9 n ASN 4 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1vk9 h LEU 5 N 0.00 0.66 -0.05 -4.53 4.07 -1.78 -1.57 115.31 112.11 1vk9 h LEU 5 Ca 0.00 -0.93 0.01 0.00 0.08 0.00 0.00 57.88 57.04 1vk9 h LEU 5 Cb 0.72 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1vk9 h LEU 5 CO 0.00 1.54 -0.03 0.25 -1.08 0.00 0.00 178.44 179.12 1vk9 h LEU 6 N -0.11 -0.08 -0.63 1.67 5.85 -1.63 0.14 115.31 120.52 1vk9 h LEU 6 Ca -0.19 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.68 1vk9 h LEU 6 Cb 1.88 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 1vk9 h LEU 6 CO 0.21 -0.04 0.05 -0.09 -0.34 0.00 0.00 178.44 178.23 1vk9 h ARG 7 N -0.02 0.16 -0.50 1.25 2.43 -1.49 -0.62 114.38 115.58 1vk9 h ARG 7 Ca 0.03 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1vk9 h ARG 7 Cb 0.07 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1vk9 h ARG 7 CO -0.06 0.10 -0.09 0.77 -1.51 0.00 0.00 179.97 179.18 1vk9 h SER 8 N 0.16 0.95 0.04 -3.80 0.02 -0.83 -2.75 113.55 107.34 1vk9 h SER 8 Ca 0.33 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1vk9 h SER 8 Cb 0.54 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1vk9 h SER 8 CO -0.50 1.07 -0.34 0.00 -1.14 0.00 0.00 176.83 175.92 1vk9 h ALA 9 N 0.91 1.04 -0.31 3.77 0.00 -0.10 -2.85 119.26 121.73 1vk9 h ALA 9 Ca 0.13 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1vk9 h ALA 9 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vk9 h ALA 9 CO 0.04 0.59 -0.10 -0.07 0.00 0.00 0.00 179.25 179.71 1vk9 h LEU 10 N 0.36 0.62 -1.17 0.00 3.38 -1.06 0.33 115.31 117.77 1vk9 h LEU 10 Ca 0.04 -0.38 0.16 0.00 0.09 0.00 0.00 57.88 57.79 1vk9 h LEU 10 Cb 0.78 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 1vk9 h LEU 10 CO 0.06 0.86 0.60 0.11 0.09 0.00 0.00 178.44 180.16 1vk9 h LYS 11 N 0.37 0.74 0.04 1.13 1.57 -1.37 0.13 116.57 119.18 1vk9 h LYS 11 Ca 0.07 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1vk9 h LYS 11 Cb 0.60 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1vk9 h LYS 11 CO 0.04 0.49 -0.02 0.82 -0.57 0.00 0.00 179.45 180.21 1vk9 h ILE 12 N 0.76 1.36 -0.75 1.86 2.04 -1.22 -2.22 117.51 119.34 1vk9 h ILE 12 Ca 0.50 -1.56 0.15 0.00 1.00 0.00 0.00 64.86 64.96 1vk9 h ILE 12 Cb 0.76 2.36 -0.10 0.00 -0.74 0.00 0.00 36.82 39.09 1vk9 h ILE 12 CO -0.26 0.38 0.24 0.15 0.00 0.00 0.00 178.15 178.66 1vk9 h PHE 13 N -0.77 0.40 -0.02 1.37 3.57 -0.68 -2.27 116.94 118.54 1vk9 h PHE 13 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1vk9 h PHE 13 Cb 0.66 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1vk9 h PHE 13 CO 0.15 -0.02 -0.06 0.93 -2.23 0.00 0.00 178.31 177.09 1vk9 h GLU 14 N 0.35 0.07 0.00 1.11 5.08 -0.82 -2.74 114.58 117.63 1vk9 h GLU 14 Ca 0.42 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1vk9 h GLU 14 Cb 0.68 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1vk9 h GLU 14 CO -0.46 0.70 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.03 1vk9 h LYS 15 N -0.55 0.00 -0.10 2.33 3.64 -1.23 -3.08 116.57 117.59 1vk9 h LYS 15 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vk9 h LYS 15 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1vk9 h LYS 15 CO 0.01 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.82 1vk9 n LYS 16 N -3.18 2.47 -3.98 1.90 5.02 -0.87 -5.01 118.16 114.51 1vk9 n LYS 16 Ca -0.03 -2.10 -0.34 0.00 -2.02 0.00 0.00 58.31 53.82 1vk9 n LYS 16 Cb 0.08 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1vk9 n LYS 16 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1vk9 n ASP 17 N -0.59 -2.33 -4.88 4.39 -0.08 -1.16 -4.93 116.55 106.95 1vk9 n ASP 17 Ca 0.10 -0.99 -0.30 0.00 -1.51 0.00 0.00 54.79 52.09 1vk9 n ASP 17 Cb 0.48 -1.19 -0.00 0.00 2.34 0.00 0.00 41.12 42.75 1vk9 n ASP 17 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1vk9 s LEU 18 N -6.79 3.47 -0.01 -2.67 1.43 -1.04 -4.83 118.68 108.25 1vk9 s LEU 18 Ca 0.30 1.21 0.10 0.00 -1.03 0.00 0.00 54.13 54.71 1vk9 s LEU 18 Cb -0.17 -4.20 -0.14 0.00 0.03 0.00 0.00 46.19 41.71 1vk9 s LEU 18 CO 0.74 -0.69 0.30 -1.54 0.23 0.00 0.00 176.35 175.39 1vk9 n SER 19 N -2.33 1.84 -3.71 2.29 3.41 0.46 -4.87 113.62 110.71 1vk9 n SER 19 Ca 0.04 -0.28 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1vk9 n SER 19 Cb 0.54 1.29 -0.09 0.00 -0.26 0.00 0.00 64.21 65.69 1vk9 n SER 19 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1vk9 s LEU 20 N -3.24 0.12 -0.11 1.04 2.96 -1.01 -2.27 118.68 116.17 1vk9 s LEU 20 Ca -0.01 0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 54.81 1vk9 s LEU 20 Cb 0.07 1.69 0.04 0.00 0.50 0.00 0.00 46.19 48.49 1vk9 s LEU 20 CO 0.42 -0.18 0.27 -0.22 -1.32 0.00 0.00 176.35 175.32 1vk9 s LEU 21 N 0.24 0.67 -0.11 -0.68 2.96 -0.46 -1.85 118.68 119.44 1vk9 s LEU 21 Ca -0.00 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 1vk9 s LEU 21 Cb -0.03 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 47.50 1vk9 s LEU 21 CO 0.01 -0.13 -0.12 0.00 -1.32 0.00 0.00 176.35 174.78 1vk9 s ALA 22 N 0.71 2.67 -0.03 5.97 0.00 -0.40 -0.56 121.76 130.12 1vk9 s ALA 22 Ca -0.05 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1vk9 s ALA 22 Cb -0.06 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1vk9 s ALA 22 CO -0.04 0.32 -0.05 -0.47 0.00 0.00 0.00 175.76 175.52 1vk9 s TYR 23 N 0.08 0.69 0.00 0.00 5.04 0.62 -0.51 117.35 123.27 1vk9 s TYR 23 Ca -0.05 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 1vk9 s TYR 23 Cb -0.15 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.61 1vk9 s TYR 23 CO 0.04 -0.12 0.56 -1.13 -1.34 0.00 0.00 175.55 173.57 1vk9 n SER 24 N 3.59 1.03 0.00 4.32 3.41 -1.26 -0.40 113.62 124.31 1vk9 n SER 24 Ca -0.21 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1vk9 n SER 24 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1vk9 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk9 n GLY 25 N -0.14 2.84 3.49 5.00 0.00 -1.26 -4.95 105.19 110.17 1vk9 n GLY 25 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1vk9 n GLY 25 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1vk9 s ARG 26 N 0.00 1.69 -0.08 1.61 1.70 -1.26 -5.10 118.95 117.51 1vk9 s ARG 26 Ca 0.00 -1.84 -0.30 0.00 -0.47 0.00 0.00 55.73 53.12 1vk9 s ARG 26 Cb 0.00 -1.51 -0.03 0.00 -0.57 0.00 0.00 34.95 32.84 1vk9 s ARG 26 CO 0.00 0.14 1.21 0.45 -1.08 0.00 0.00 175.30 176.02 1vk9 s SER 27 N -3.52 7.03 -0.01 -2.89 0.15 -1.26 -4.48 113.70 108.71 1vk9 s SER 27 Ca 0.31 1.78 0.11 0.00 0.70 0.00 0.00 55.95 58.85 1vk9 s SER 27 Cb 0.02 -2.55 -0.16 0.00 -1.71 0.00 0.00 66.02 61.61 1vk9 s SER 27 CO 0.14 -0.62 0.29 2.30 1.20 0.00 0.00 173.24 176.55 1vk9 n ILE 28 N 4.77 0.00 -3.71 6.45 -5.35 0.33 -4.97 119.36 116.89 1vk9 n ILE 28 Ca 0.11 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 1vk9 n ILE 28 Cb 0.46 0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 38.65 1vk9 n ILE 28 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1vk9 s PHE 29 N -2.61 -0.53 -0.04 4.28 2.19 -1.16 -4.97 117.98 115.15 1vk9 s PHE 29 Ca -0.02 1.17 0.01 0.00 0.33 0.00 0.00 56.93 58.42 1vk9 s PHE 29 Cb 0.07 0.21 0.02 0.00 -1.31 0.00 0.00 43.02 42.01 1vk9 s PHE 29 CO 0.46 -0.30 -0.06 -1.21 1.83 0.00 0.00 175.22 175.94 1vk9 s GLU 30 N 1.16 0.85 0.03 10.12 2.02 -1.26 -1.28 118.70 130.34 1vk9 s GLU 30 Ca -0.08 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 1vk9 s GLU 30 Cb -0.08 -0.83 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 1vk9 s GLU 30 CO -0.10 -0.02 0.12 0.45 0.02 0.00 0.00 175.26 175.73 1vk9 s SER 31 N 0.68 0.13 0.00 -0.19 0.15 -0.77 -5.03 113.70 108.66 1vk9 s SER 31 Ca -0.09 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1vk9 s SER 31 Cb -0.13 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1vk9 s SER 31 CO 0.00 -0.50 0.80 2.29 1.20 0.00 0.00 173.24 177.03 1vk9 n LYS 32 N 0.83 1.83 -0.73 5.44 2.85 -1.26 -0.41 118.16 126.71 1vk9 n LYS 32 Ca -0.19 -1.11 -0.29 0.00 -1.05 0.00 0.00 58.31 55.66 1vk9 n LYS 32 Cb 0.58 -0.83 0.25 0.00 -0.65 0.00 0.00 35.03 34.38 1vk9 n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1vk9 s ASP 33 N -0.62 0.70 0.22 -5.58 1.01 -1.26 -4.65 116.67 106.48 1vk9 s ASP 33 Ca 0.00 1.08 0.06 0.00 0.71 0.00 0.00 52.55 54.41 1vk9 s ASP 33 Cb 0.00 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 1vk9 s ASP 33 CO 0.00 -4.31 0.19 -0.44 0.21 0.00 0.00 175.17 170.81 1vk9 s SER 34 N -3.14 5.57 0.41 0.27 0.01 -1.26 -4.78 113.70 110.78 1vk9 s SER 34 Ca 0.68 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1vk9 s SER 34 Cb -0.18 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1vk9 s SER 34 CO 0.60 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1vk9 n GLY 35 N -0.91 0.39 0.03 3.44 0.00 -1.26 -3.94 105.19 102.93 1vk9 n GLY 35 Ca -0.08 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1vk9 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vk9 n LEU 36 N 0.00 0.49 -0.29 0.99 4.77 -1.26 -4.46 117.00 117.25 1vk9 n LEU 36 Ca 0.00 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1vk9 n LEU 36 Cb 0.00 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1vk9 n LEU 36 CO 0.00 0.02 0.68 0.50 -1.33 0.00 0.00 177.39 177.26 1vk9 h LYS 37 N 0.00 -0.02 -0.33 3.23 1.63 -1.96 -1.20 116.57 117.92 1vk9 h LYS 37 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1vk9 h LYS 37 Cb 0.60 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 1vk9 h LYS 37 CO 0.00 -0.01 0.17 -1.00 -3.45 0.00 0.00 179.45 175.16 1vk9 h PRO 38 N -0.02 0.47 -0.68 1.90 0.13 -1.83 0.91 132.00 132.87 1vk9 h PRO 38 Ca 0.37 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.50 1vk9 h PRO 38 Cb 0.59 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 1vk9 h PRO 38 CO -0.84 0.42 0.38 0.28 -0.23 0.00 0.00 178.00 178.01 1vk9 h VAL 39 N 0.41 0.96 -0.17 1.56 2.07 -1.59 0.63 116.25 120.12 1vk9 h VAL 39 Ca 0.12 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1vk9 h VAL 39 Cb 0.09 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1vk9 h VAL 39 CO -0.02 0.13 0.06 0.58 0.02 0.00 0.00 177.57 178.35 1vk9 h VAL 40 N 0.70 1.16 -0.20 2.57 2.07 -1.14 0.19 116.25 121.59 1vk9 h VAL 40 Ca 0.31 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1vk9 h VAL 40 Cb 0.20 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1vk9 h VAL 40 CO -0.19 0.15 -0.25 -0.33 0.02 0.00 0.00 177.57 176.97 1vk9 h GLU 41 N 0.11 -0.27 -0.45 1.57 5.08 0.06 0.73 114.58 121.42 1vk9 h GLU 41 Ca 0.06 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1vk9 h GLU 41 Cb 0.18 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1vk9 h GLU 41 CO -0.00 -0.18 0.10 1.25 -1.00 0.00 0.00 179.01 179.18 1vk9 h LEU 42 N -0.28 0.03 -0.93 1.33 5.85 0.46 -1.47 115.31 120.30 1vk9 h LEU 42 Ca 0.12 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1vk9 h LEU 42 Cb 0.47 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1vk9 h LEU 42 CO -0.36 0.05 0.58 0.15 -0.34 0.00 0.00 178.44 178.52 1vk9 h PHE 43 N 0.24 1.07 0.00 1.25 3.57 0.17 -1.80 116.94 121.43 1vk9 h PHE 43 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1vk9 h PHE 43 Cb 0.28 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1vk9 h PHE 43 CO -0.21 0.51 -0.02 0.87 -2.23 0.00 0.00 178.31 177.24 1vk9 h LYS 44 N 1.02 0.00 0.04 1.11 1.79 0.14 -3.31 116.57 117.35 1vk9 h LYS 44 Ca 0.42 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.57 1vk9 h LYS 44 Cb 0.25 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 1vk9 h LYS 44 CO -0.20 0.02 -1.82 -2.13 -1.08 0.00 0.00 179.45 174.24 1vk9 n ARG 45 N -3.12 0.67 -4.31 3.15 0.63 -0.69 -4.95 116.66 108.03 1vk9 n ARG 45 Ca 0.01 0.28 -0.18 0.00 -0.92 0.00 0.00 57.85 57.03 1vk9 n ARG 45 Cb 0.34 -1.76 -0.15 0.00 0.45 0.00 0.00 32.46 31.34 1vk9 n ARG 45 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1vk9 s PHE 46 N -2.58 0.74 0.18 -0.14 0.08 -1.12 -5.04 117.98 110.10 1vk9 s PHE 46 Ca -0.10 -0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1vk9 s PHE 46 Cb 0.07 -0.50 0.07 0.00 -0.57 0.00 0.00 43.02 42.09 1vk9 s PHE 46 CO 0.81 -0.03 1.59 0.22 -0.10 0.00 0.00 175.22 177.71 1vk9 h ASP 47 N 6.08 0.98 -5.16 1.36 3.58 -1.92 -3.45 116.42 117.90 1vk9 h ASP 47 Ca -0.31 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 56.78 1vk9 h ASP 47 Cb 1.18 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 41.88 1vk9 h ASP 47 CO 0.50 1.12 -0.01 0.54 -2.88 0.00 0.00 179.24 178.51 1vk9 s ASN 48 N -6.69 -0.16 -0.18 2.28 2.20 -1.26 -4.92 114.94 106.21 1vk9 s ASN 48 Ca -0.11 -0.78 0.16 0.00 -0.94 0.00 0.00 52.86 51.19 1vk9 s ASN 48 Cb 0.13 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 40.45 1vk9 s ASN 48 CO 0.86 -1.18 1.18 0.18 -2.94 0.00 0.00 177.10 175.20 1vk9 n LEU 49 N -0.39 2.57 -4.75 3.54 4.77 -1.26 -5.03 117.00 116.45 1vk9 n LEU 49 Ca -0.03 -3.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.08 1vk9 n LEU 49 Cb 0.61 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1vk9 n LEU 49 CO 0.20 1.27 1.19 -1.61 -1.33 0.00 0.00 177.39 177.10 1vk9 s GLU 50 N -2.57 4.18 0.00 3.23 2.02 -1.13 -1.65 118.70 122.77 1vk9 s GLU 50 Ca 0.38 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1vk9 s GLU 50 Cb 0.38 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1vk9 s GLU 50 CO -0.07 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1vk9 n GLY 51 N 2.06 0.97 3.44 -1.39 0.00 -1.26 -4.98 105.19 104.03 1vk9 n GLY 51 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1vk9 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vk9 s SER 52 N -3.04 3.25 0.16 1.61 0.01 -0.66 -4.65 113.70 110.38 1vk9 s SER 52 Ca 0.00 -1.06 0.11 0.00 1.31 0.00 0.00 55.95 56.30 1vk9 s SER 52 Cb 0.00 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1vk9 s SER 52 CO 0.00 -0.08 -0.22 -1.48 0.41 0.00 0.00 173.24 171.87 1vk9 s LEU 53 N -3.46 2.51 -0.10 2.44 0.05 0.46 -1.11 118.68 119.47 1vk9 s LEU 53 Ca 0.28 -0.75 0.02 0.00 0.05 0.00 0.00 54.13 53.74 1vk9 s LEU 53 Cb -0.02 -1.31 -0.01 0.00 -2.05 0.00 0.00 46.19 42.80 1vk9 s LEU 53 CO 0.13 0.15 -0.18 -0.69 -0.55 0.00 0.00 176.35 175.20 1vk9 s VAL 54 N -1.41 2.65 -0.12 1.48 1.01 -0.55 -0.28 120.40 123.18 1vk9 s VAL 54 Ca 0.19 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1vk9 s VAL 54 Cb -0.09 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1vk9 s VAL 54 CO 0.09 0.55 -0.04 -0.63 0.00 0.00 0.00 175.10 175.07 1vk9 s ILE 55 N 0.10 3.89 -0.00 2.22 1.01 0.27 -1.03 121.20 127.66 1vk9 s ILE 55 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1vk9 s ILE 55 Cb -0.15 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1vk9 s ILE 55 CO 0.05 0.54 -0.01 -0.62 0.00 0.00 0.00 174.94 174.91 1vk9 s ASP 56 N -0.20 0.10 0.00 3.58 -1.08 -0.58 -1.35 116.67 117.14 1vk9 s ASP 56 Ca 0.04 -0.01 0.14 0.00 -0.52 0.00 0.00 52.55 52.19 1vk9 s ASP 56 Cb -0.13 -0.01 0.75 0.00 -1.46 0.00 0.00 42.92 42.07 1vk9 s ASP 56 CO 0.02 0.01 1.31 1.17 0.52 0.00 0.00 175.17 178.20 1vk9 n LYS 57 N 3.09 0.30 -3.15 4.34 4.81 -0.96 -1.00 118.16 125.59 1vk9 n LYS 57 Ca -0.13 0.09 0.05 0.00 -0.87 0.00 0.00 58.31 57.46 1vk9 n LYS 57 Cb 0.59 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.13 1vk9 n LYS 57 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1vk9 s VAL 59 N -2.31 -0.35 0.51 3.15 1.01 0.27 -1.60 120.40 121.08 1vk9 s VAL 59 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1vk9 s VAL 59 Cb 0.09 -0.76 0.08 0.00 0.00 0.00 0.00 36.38 35.80 1vk9 s VAL 59 CO 0.18 0.00 0.67 0.61 0.00 0.00 0.00 175.10 176.57 1vk9 n GLY 60 N 5.35 2.04 0.33 4.51 0.00 -1.26 -1.25 105.19 114.91 1vk9 n GLY 60 Ca -0.01 -2.22 0.03 0.00 0.00 0.00 0.00 46.02 43.82 1vk9 n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vk9 h LYS 61 N 0.00 0.90 0.34 1.61 3.64 -1.90 0.28 116.57 121.44 1vk9 h LYS 61 Ca -0.25 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1vk9 h LYS 61 Cb 1.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1vk9 h LYS 61 CO 0.35 0.60 -0.29 0.00 -2.27 0.00 0.00 179.45 177.84 1vk9 h ALA 62 N 1.45 -0.65 -0.82 5.00 0.00 -1.94 -1.21 119.26 121.10 1vk9 h ALA 62 Ca 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1vk9 h ALA 62 Cb 0.30 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1vk9 h ALA 62 CO -0.22 -0.89 0.35 0.00 0.00 0.00 0.00 179.25 178.50 1vk9 h ALA 63 N -0.09 1.06 -0.75 0.00 0.00 -1.89 -2.51 119.26 115.07 1vk9 h ALA 63 Ca -0.02 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1vk9 h ALA 63 Cb 0.57 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1vk9 h ALA 63 CO -0.03 0.67 0.39 0.00 0.00 0.00 0.00 179.25 180.28 1vk9 h ALA 64 N 1.19 1.06 -0.06 0.00 0.00 -0.75 0.68 119.26 121.38 1vk9 h ALA 64 Ca 0.28 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1vk9 h ALA 64 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vk9 h ALA 64 CO -0.03 -0.03 0.04 0.77 0.00 0.00 0.00 179.25 180.00 1vk9 h SER 65 N 0.64 0.08 0.09 0.00 0.02 -0.78 0.45 113.55 114.04 1vk9 h SER 65 Ca 0.38 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1vk9 h SER 65 Cb 0.41 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1vk9 h SER 65 CO -0.28 0.09 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.18 1vk9 h PHE 66 N 0.05 -0.17 -0.87 3.45 0.04 -1.24 -2.05 116.94 116.15 1vk9 h PHE 66 Ca 0.02 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1vk9 h PHE 66 Cb 0.03 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1vk9 h PHE 66 CO -0.06 -0.11 0.48 -0.07 -0.60 0.00 0.00 178.31 177.95 1vk9 h LEU 67 N -0.16 1.08 -0.67 1.54 3.38 -0.65 -2.52 115.31 117.30 1vk9 h LEU 67 Ca -0.00 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1vk9 h LEU 67 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1vk9 h LEU 67 CO -0.01 0.87 0.44 -0.07 0.09 0.00 0.00 178.44 179.76 1vk9 h LEU 68 N 1.21 0.75 -2.88 1.67 3.38 0.11 -2.81 115.31 116.74 1vk9 h LEU 68 Ca 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1vk9 h LEU 68 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1vk9 h LEU 68 CO -0.05 0.54 0.00 1.17 0.09 0.00 0.00 178.44 180.19 1vk9 n LYS 69 N -4.64 0.18 0.00 1.13 3.00 -0.79 -4.76 118.16 112.28 1vk9 n LYS 69 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1vk9 n LYS 69 Cb 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.66 1vk9 n LYS 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1vk9 n LYS 71 N 1.40 0.00 -1.81 1.64 5.02 -1.06 -4.94 118.16 118.41 1vk9 n LYS 71 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1vk9 n LYS 71 Cb 0.09 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.13 1vk9 n LYS 71 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1vk9 s PRO 72 N 0.00 3.14 0.15 1.97 0.04 -1.26 -2.82 135.00 136.22 1vk9 s PRO 72 Ca 0.00 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 1vk9 s PRO 72 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1vk9 s PRO 72 CO 0.00 -0.94 1.59 -0.44 0.04 0.00 0.00 177.00 177.25 1vk9 h ASP 73 N -0.14 0.86 -4.29 6.66 5.19 -1.25 -3.46 116.42 119.99 1vk9 h ASP 73 Ca -0.45 -0.32 -0.13 0.00 -0.62 0.00 0.00 57.03 55.51 1vk9 h ASP 73 Cb 1.21 -0.23 -0.23 0.00 0.18 0.00 0.00 39.33 40.26 1vk9 h ASP 73 CO 0.57 0.97 -0.31 -2.28 -3.12 0.00 0.00 179.24 175.07 1vk9 s HIS 74 N -4.97 -0.29 -0.15 4.55 2.46 -1.25 -4.23 115.29 111.41 1vk9 s HIS 74 Ca -0.12 0.63 0.01 0.00 0.47 0.00 0.00 55.06 56.05 1vk9 s HIS 74 Cb 0.12 0.11 -0.00 0.00 -0.13 0.00 0.00 32.58 32.67 1vk9 s HIS 74 CO 0.83 -0.26 -0.16 0.42 -2.47 0.00 0.00 174.74 173.10 1vk9 s ILE 75 N -0.41 2.61 -0.26 0.89 1.01 -0.62 -1.48 121.20 122.94 1vk9 s ILE 75 Ca -0.05 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1vk9 s ILE 75 Cb -0.03 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1vk9 s ILE 75 CO 0.02 0.52 0.05 -2.28 0.00 0.00 0.00 174.94 173.25 1vk9 s HIS 76 N 0.77 3.08 -0.19 3.97 2.46 -0.20 -0.99 115.29 124.19 1vk9 s HIS 76 Ca -0.06 -0.68 -0.06 0.00 0.47 0.00 0.00 55.06 54.73 1vk9 s HIS 76 Cb -0.15 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 30.05 1vk9 s HIS 76 CO 0.00 -0.46 0.02 0.00 -2.47 0.00 0.00 174.74 171.84 1vk9 s ALA 77 N 1.56 3.16 0.14 1.58 0.00 -0.08 -1.53 121.76 126.59 1vk9 s ALA 77 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 1vk9 s ALA 77 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1vk9 s ALA 77 CO 0.02 -0.02 1.59 -0.22 0.00 0.00 0.00 175.76 177.13 1vk9 h LYS 78 N 7.19 0.80 -4.55 0.00 3.64 -1.16 -2.06 116.57 120.43 1vk9 h LYS 78 Ca -0.35 -0.25 -0.46 0.00 -1.27 0.00 0.00 60.65 58.32 1vk9 h LYS 78 Cb 1.18 -0.07 -0.32 0.00 -0.41 0.00 0.00 32.23 32.61 1vk9 h LYS 78 CO 0.63 0.86 -0.80 0.08 -2.27 0.00 0.00 179.45 177.96 1vk9 s VAL 79 N -5.02 0.88 0.00 2.00 1.01 -0.62 -1.84 120.40 116.81 1vk9 s VAL 79 Ca -0.13 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1vk9 s VAL 79 Cb 0.11 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1vk9 s VAL 79 CO 0.81 0.28 -0.23 -0.51 0.00 0.00 0.00 175.10 175.46 1vk9 s ILE 80 N 0.41 1.79 0.37 2.22 2.07 -0.61 -0.56 121.20 126.88 1vk9 s ILE 80 Ca -0.07 -1.07 -0.08 0.00 -1.41 0.00 0.00 60.65 58.01 1vk9 s ILE 80 Cb -0.12 -1.51 -0.06 0.00 0.13 0.00 0.00 42.46 40.90 1vk9 s ILE 80 CO 0.01 0.42 0.70 -0.94 -1.91 0.00 0.00 174.94 173.22 1vk9 s SER 81 N -0.77 6.48 0.22 4.50 1.04 -0.38 -0.97 113.70 123.82 1vk9 s SER 81 Ca 0.09 0.98 -0.08 0.00 0.48 0.00 0.00 55.95 57.42 1vk9 s SER 81 Cb -0.09 -2.26 0.30 0.00 0.10 0.00 0.00 66.02 64.07 1vk9 s SER 81 CO 0.00 -0.34 1.78 0.50 0.98 0.00 0.00 173.24 176.16 1vk9 h LYS 82 N 1.35 0.54 -0.65 4.02 3.64 -0.68 -1.07 116.57 123.73 1vk9 h LYS 82 Ca -0.47 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1vk9 h LYS 82 Cb 1.19 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1vk9 h LYS 82 CO 0.64 0.36 0.33 -1.35 -2.27 0.00 0.00 179.45 177.17 1vk9 h PRO 83 N 0.56 0.59 -0.10 1.90 0.11 -1.86 -1.17 132.00 132.03 1vk9 h PRO 83 Ca 0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 1vk9 h PRO 83 Cb 0.33 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1vk9 h PRO 83 CO -0.26 0.39 0.04 0.00 -0.21 0.00 0.00 178.00 177.96 1vk9 h ALA 84 N 1.36 0.13 -0.71 -0.75 0.00 -1.60 -1.93 119.26 115.76 1vk9 h ALA 84 Ca 0.30 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1vk9 h ALA 84 Cb 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1vk9 h ALA 84 CO -0.21 -0.29 0.41 1.25 0.00 0.00 0.00 179.25 180.40 1vk9 h LEU 85 N 0.01 0.62 -0.88 0.00 6.46 -0.98 -1.74 115.31 118.80 1vk9 h LEU 85 Ca 0.03 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1vk9 h LEU 85 Cb 0.15 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.95 1vk9 h LEU 85 CO -0.00 0.40 0.43 0.11 -0.62 0.00 0.00 178.44 178.75 1vk9 h LYS 86 N 0.75 1.23 -0.52 1.25 6.56 -0.98 -1.97 116.57 122.89 1vk9 h LYS 86 Ca 0.32 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1vk9 h LYS 86 Cb 0.19 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1vk9 h LYS 86 CO -0.18 0.93 0.00 -0.11 -2.06 0.00 0.00 179.45 178.03 1vk9 n LEU 87 N -4.31 0.48 0.00 2.94 7.94 -0.65 -1.91 117.00 121.49 1vk9 n LEU 87 Ca 0.09 -0.24 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 1vk9 n LEU 87 Cb 0.13 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1vk9 n LEU 87 CO 0.40 0.11 0.00 0.59 -1.11 0.00 0.00 177.39 177.38 1vk9 n ASN 89 N 0.35 0.00 0.11 1.96 3.02 -0.74 -1.92 115.26 118.03 1vk9 n ASN 89 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 1vk9 n ASN 89 Cb 0.11 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 39.82 1vk9 n ASN 89 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1vk9 h GLU 90 N 0.00 0.27 -0.34 3.52 4.81 -1.65 -2.17 114.58 119.03 1vk9 h GLU 90 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1vk9 h GLU 90 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1vk9 h GLU 90 CO 0.00 0.18 0.00 0.66 -0.73 0.00 0.00 179.01 179.12 1vk9 n TYR 91 N -4.50 0.43 -2.84 0.92 4.02 -0.81 -4.95 117.16 109.43 1vk9 n TYR 91 Ca 0.01 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.90 57.49 1vk9 n TYR 91 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1vk9 n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vk9 n GLY 92 N 1.44 -0.50 3.77 2.72 0.00 -0.82 -4.97 105.19 106.83 1vk9 n GLY 92 Ca 0.19 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1vk9 n GLY 92 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vk9 s GLN 93 N -5.48 4.68 -0.10 1.61 2.00 -1.26 -5.03 119.66 116.07 1vk9 s GLN 93 Ca 0.19 1.34 -0.25 0.00 -2.00 0.00 0.00 55.36 54.64 1vk9 s GLN 93 Cb -0.09 -3.08 -0.03 0.00 0.80 0.00 0.00 33.01 30.61 1vk9 s GLN 93 CO 0.24 0.43 0.79 0.45 -0.50 0.00 0.00 175.29 176.70 1vk9 s SER 94 N -1.36 7.03 0.14 6.67 0.15 -1.26 -4.72 113.70 120.36 1vk9 s SER 94 Ca 0.44 1.26 -0.18 0.00 0.70 0.00 0.00 55.95 58.16 1vk9 s SER 94 Cb -0.22 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1vk9 s SER 94 CO 0.27 -0.25 0.47 0.72 1.20 0.00 0.00 173.24 175.65 1vk9 s PHE 95 N 1.36 -0.27 0.09 3.44 -0.71 -1.26 -1.59 117.98 119.03 1vk9 s PHE 95 Ca 0.40 -0.03 -0.05 0.00 -1.04 0.00 0.00 56.93 56.22 1vk9 s PHE 95 Cb -0.18 0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1vk9 s PHE 95 CO 0.17 -0.77 0.10 -1.54 -1.34 0.00 0.00 175.22 171.85 1vk9 s SER 96 N -2.80 0.27 0.07 1.98 1.04 -0.16 -4.93 113.70 109.17 1vk9 s SER 96 Ca 0.03 -0.88 -0.12 0.00 0.48 0.00 0.00 55.95 55.47 1vk9 s SER 96 Cb 0.01 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1vk9 s SER 96 CO -0.11 -0.70 0.28 -0.72 0.98 0.00 0.00 173.24 172.97 1vk9 s TYR 97 N -3.92 -0.03 -0.20 5.02 1.13 -1.26 -0.90 117.35 117.20 1vk9 s TYR 97 Ca 0.09 -0.24 -0.03 0.00 -1.41 0.00 0.00 57.07 55.48 1vk9 s TYR 97 Cb 0.06 0.07 -0.21 0.00 -1.10 0.00 0.00 41.96 40.78 1vk9 s TYR 97 CO -0.08 -0.55 0.05 -0.25 -2.51 0.00 0.00 175.55 172.21 1vk9 n ASP 98 N 0.23 2.04 -4.01 -0.18 8.00 -0.78 -4.97 116.55 116.89 1vk9 n ASP 98 Ca -0.17 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 1vk9 n ASP 98 Cb 0.61 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.94 1vk9 n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1vk9 s GLU 99 N -2.53 0.44 -0.03 -1.24 2.12 -0.77 -5.02 118.70 111.67 1vk9 s GLU 99 Ca -0.29 -0.50 0.05 0.00 0.36 0.00 0.00 54.97 54.58 1vk9 s GLU 99 Cb 0.08 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.17 1vk9 s GLU 99 CO 0.67 0.06 -0.15 0.21 -0.54 0.00 0.00 175.26 175.51 1vk9 s LYS 100 N -0.98 2.39 0.06 4.30 2.20 -1.26 -1.58 119.74 124.88 1vk9 s LYS 100 Ca -0.06 -0.77 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1vk9 s LYS 100 Cb -0.07 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 1vk9 s LYS 100 CO 0.00 0.60 -0.07 0.96 -0.36 0.00 0.00 175.35 176.48 1vk9 s ILE 101 N -0.78 0.58 0.25 5.43 -4.36 -0.14 -4.93 121.20 117.25 1vk9 s ILE 101 Ca 0.12 -1.44 -0.04 0.00 -0.26 0.00 0.00 60.65 59.04 1vk9 s ILE 101 Cb -0.11 -1.06 0.22 0.00 1.25 0.00 0.00 42.46 42.76 1vk9 s ILE 101 CO 0.02 -0.60 1.77 -0.65 0.24 0.00 0.00 174.94 175.71 1vk9 h PRO 102 N 3.85 0.58 -1.87 0.37 0.11 -1.95 0.18 132.00 133.27 1vk9 h PRO 102 Ca -0.35 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.73 1vk9 h PRO 102 Cb 1.19 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.96 1vk9 h PRO 102 CO 0.51 0.39 0.36 -0.59 -0.21 0.00 0.00 178.00 178.46 1vk9 s PHE 103 N -6.01 -0.51 0.46 0.65 -0.12 -1.26 -3.49 117.98 107.69 1vk9 s PHE 103 Ca -0.12 0.83 -0.25 0.00 -0.05 0.00 0.00 56.93 57.34 1vk9 s PHE 103 Cb 0.20 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.96 1vk9 s PHE 103 CO 0.77 -0.50 1.37 0.08 -0.05 0.00 0.00 175.22 176.89 1vk9 s VAL 104 N -1.37 2.26 0.15 -2.49 1.01 -1.26 -4.94 120.40 113.76 1vk9 s VAL 104 Ca -0.06 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.20 1vk9 s VAL 104 Cb -0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1vk9 s VAL 104 CO 0.04 0.02 0.08 -0.76 0.00 0.00 0.00 175.10 174.49 1vk9 s LEU 105 N -2.83 3.66 0.00 3.92 1.43 -1.26 -1.66 118.68 121.94 1vk9 s LEU 105 Ca 0.62 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1vk9 s LEU 105 Cb -0.41 -2.30 0.31 0.00 0.03 0.00 0.00 46.19 43.82 1vk9 s LEU 105 CO 0.51 0.10 0.88 0.61 0.23 0.00 0.00 176.35 178.68 1vk9 n GLY 106 N -0.10 -3.37 0.26 -3.19 0.00 0.18 -4.15 105.19 94.82 1vk9 n GLY 106 Ca -0.09 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.58 1vk9 n GLY 106 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vk9 h LYS 107 N 0.00 0.40 -0.93 1.61 5.09 -2.00 -2.49 116.57 118.25 1vk9 h LYS 107 Ca -0.36 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.36 1vk9 h LYS 107 Cb 1.16 -0.09 -0.05 0.00 0.10 0.00 0.00 32.23 33.35 1vk9 h LYS 107 CO 0.23 0.27 0.59 0.38 -2.09 0.00 0.00 179.45 178.82 1vk9 h ASP 108 N 0.41 1.10 0.00 7.07 3.04 -1.92 -3.47 116.42 122.66 1vk9 h ASP 108 Ca 0.37 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 1vk9 h ASP 108 Cb 0.52 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1vk9 h ASP 108 CO -0.37 0.82 0.00 0.61 -2.04 0.00 0.00 179.24 178.26 1vk9 n GLY 109 N -1.32 0.75 0.74 7.15 0.00 -0.94 -4.93 105.19 106.65 1vk9 n GLY 109 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1vk9 n GLY 109 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vk9 n LYS 110 N -2.16 2.12 0.00 1.61 -0.00 -1.26 -4.95 118.16 113.51 1vk9 n LYS 110 Ca 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 58.31 56.42 1vk9 n LYS 110 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.70 1vk9 n LYS 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1vk9 n SER 111 N 0.84 0.00 -4.57 -5.58 3.41 -1.26 -5.05 113.62 101.41 1vk9 n SER 111 Ca 0.13 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 1vk9 n SER 111 Cb 0.44 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1vk9 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vk9 h PRO 114 N 6.70 0.30 -0.32 0.00 0.13 -1.92 -0.72 132.00 136.17 1vk9 h PRO 114 Ca -0.34 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1vk9 h PRO 114 Cb 1.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1vk9 h PRO 114 CO 0.67 0.20 -0.41 0.74 -0.23 0.00 0.00 178.00 178.96 1vk9 h PHE 115 N 0.31 0.95 -0.55 1.56 0.04 -1.99 -1.49 116.94 115.79 1vk9 h PHE 115 Ca 0.45 -0.29 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 1vk9 h PHE 115 Cb 1.27 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 1vk9 h PHE 115 CO -0.00 1.07 0.05 1.49 -0.60 0.00 0.00 178.31 180.31 1vk9 h GLU 116 N 0.64 0.93 -0.44 1.51 4.57 -1.54 -2.54 114.58 117.72 1vk9 h GLU 116 Ca 0.05 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1vk9 h GLU 116 Cb 0.98 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1vk9 h GLU 116 CO 0.09 0.92 0.13 -0.22 -1.18 0.00 0.00 179.01 178.75 1vk9 h LYS 117 N 0.82 0.68 -0.44 1.92 3.64 -1.21 0.07 116.57 122.04 1vk9 h LYS 117 Ca 0.16 -0.15 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1vk9 h LYS 117 Cb 0.47 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.11 1vk9 h LYS 117 CO 0.02 0.67 -0.16 1.25 -2.27 0.00 0.00 179.45 178.97 1vk9 h LEU 118 N 0.57 -0.55 -1.52 5.20 5.85 -1.14 -2.86 115.31 120.85 1vk9 h LEU 118 Ca 0.14 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1vk9 h LEU 118 Cb 0.28 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1vk9 h LEU 118 CO -0.00 -0.19 -0.01 1.33 -0.34 0.00 0.00 178.44 179.23 1vk9 n VAL 119 N -5.36 0.00 -0.04 1.05 0.24 -0.97 -4.57 118.33 108.68 1vk9 n VAL 119 Ca 0.03 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.85 1vk9 n VAL 119 Cb 0.27 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.70 1vk9 n VAL 119 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1vk9 h LEU 120 N 3.72 -0.07 -7.68 1.34 5.85 -0.74 -3.44 115.31 114.29 1vk9 h LEU 120 Ca 0.00 0.04 -0.77 0.00 0.84 0.00 0.00 57.88 58.00 1vk9 h LEU 120 Cb 0.79 0.07 -0.23 0.00 0.37 0.00 0.00 40.66 41.67 1vk9 h LEU 120 CO 0.00 -0.01 0.81 -1.61 -0.34 0.00 0.00 178.44 177.29 1vk9 s GLU 121 N -6.19 4.07 0.00 1.25 0.41 -1.26 -5.11 118.70 111.87 1vk9 s GLU 121 Ca -0.13 -2.80 0.00 0.00 -0.41 0.00 0.00 54.97 51.63 1vk9 s GLU 121 Cb 0.10 -4.78 0.00 0.00 -1.78 0.00 0.00 34.13 27.67 1vk9 s GLU 121 CO 0.68 -1.49 0.00 -0.25 -0.49 0.00 0.00 175.26 173.71 1vk9 n ASP 123 N 4.27 0.00 -4.62 -0.19 8.00 -1.26 -5.24 116.55 117.51 1vk9 n ASP 123 Ca 0.28 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.40 1vk9 n ASP 123 Cb 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.43 1vk9 n ASP 123 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vk9 s ASP 124 N -1.52 6.19 0.25 -2.24 2.15 -1.26 -4.99 116.67 115.25 1vk9 s ASP 124 Ca 0.00 0.20 -0.03 0.00 0.43 0.00 0.00 52.55 53.15 1vk9 s ASP 124 Cb 0.00 -2.17 0.42 0.00 -0.30 0.00 0.00 42.92 40.87 1vk9 s ASP 124 CO 0.00 -0.09 1.82 -0.65 -0.17 0.00 0.00 175.17 176.08 1vk9 h PRO 125 N 8.01 0.82 -0.55 4.34 0.11 -1.98 -0.18 132.00 142.56 1vk9 h PRO 125 Ca -0.34 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1vk9 h PRO 125 Cb 1.17 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1vk9 h PRO 125 CO 0.63 0.54 0.23 1.49 -0.21 0.00 0.00 178.00 180.68 1vk9 h GLU 126 N 0.84 0.82 -0.84 1.05 4.57 -1.94 -0.70 114.58 118.39 1vk9 h GLU 126 Ca 0.41 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1vk9 h GLU 126 Cb 0.37 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1vk9 h GLU 126 CO -0.25 0.71 0.46 0.93 -1.18 0.00 0.00 179.01 179.68 1vk9 h GLU 127 N 0.75 1.17 0.32 1.92 3.07 -1.75 -2.05 114.58 118.01 1vk9 h GLU 127 Ca 0.19 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1vk9 h GLU 127 Cb 0.18 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1vk9 h GLU 127 CO -0.02 0.85 -0.15 0.82 -1.40 0.00 0.00 179.01 179.11 1vk9 h ILE 128 N 1.17 0.70 -0.59 3.13 2.04 -0.52 -1.54 117.51 121.91 1vk9 h ILE 128 Ca 0.30 -0.27 0.11 0.00 1.00 0.00 0.00 64.86 66.00 1vk9 h ILE 128 Cb 0.02 0.85 -0.12 0.00 -0.74 0.00 0.00 36.82 36.84 1vk9 h ILE 128 CO -0.05 0.06 -0.25 0.40 0.00 0.00 0.00 178.15 178.30 1vk9 h ILE 129 N -0.58 0.26 -0.02 -0.67 2.04 -1.11 0.28 117.51 117.71 1vk9 h ILE 129 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1vk9 h ILE 129 Cb 0.42 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1vk9 h ILE 129 CO 0.07 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.95 1vk9 h ARG 130 N -0.10 -0.28 -0.54 2.37 2.43 -1.21 -0.88 114.38 116.16 1vk9 h ARG 130 Ca 0.26 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1vk9 h ARG 130 Cb 0.52 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1vk9 h ARG 130 CO -0.66 -0.19 0.03 0.97 -1.51 0.00 0.00 179.97 178.62 1vk9 h ILE 131 N -0.29 1.25 -0.61 1.20 2.10 -0.81 -2.52 117.51 117.83 1vk9 h ILE 131 Ca 0.06 -1.03 -0.05 0.00 1.08 0.00 0.00 64.86 64.92 1vk9 h ILE 131 Cb 0.38 0.80 -0.03 0.00 -1.09 0.00 0.00 36.82 36.88 1vk9 h ILE 131 CO -0.19 0.37 0.19 0.58 -1.08 0.00 0.00 178.15 178.02 1vk9 h VAL 132 N 0.85 1.25 -0.01 2.19 2.07 -0.71 -2.45 116.25 119.43 1vk9 h VAL 132 Ca 0.16 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1vk9 h VAL 132 Cb 0.46 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1vk9 h VAL 132 CO 0.02 0.32 -0.04 -0.07 0.02 0.00 0.00 177.57 177.82 1vk9 h LEU 133 N 0.88 0.01 -0.32 2.57 3.38 -0.84 -0.77 115.31 120.22 1vk9 h LEU 133 Ca 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vk9 h LEU 133 Cb 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1vk9 h LEU 133 CO -0.01 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 1vk9 n SER 134 N -4.48 0.30 -0.02 -0.43 3.41 -0.92 -1.54 113.62 109.93 1vk9 n SER 134 Ca -0.03 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1vk9 n SER 134 Cb 0.13 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 1vk9 n SER 134 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vk9 n LYS 135 N -0.33 1.38 0.00 4.33 4.76 -0.30 -5.09 118.16 122.91 1vk9 n LYS 135 Ca 0.00 -0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1vk9 n LYS 135 Cb 0.07 -1.23 0.09 0.00 -1.84 0.00 0.00 35.03 32.13 1vk9 n LYS 135 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22