#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkh n HIS 0 N 0.00 0.00 -1.39 4.41 -0.00 -1.26 -5.30 115.22 111.68 1vkh n HIS 0 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1vkh n HIS 0 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1vkh n HIS 0 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1vkh n THR 4 N 0.00 0.00 -2.25 0.61 -2.24 -1.26 -5.35 114.28 103.79 1vkh n THR 4 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1vkh n THR 4 Cb 0.00 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1vkh n THR 4 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1vkh s VAL 5 N 0.00 4.66 -0.57 2.28 -7.23 -1.26 -4.99 120.40 113.28 1vkh s VAL 5 Ca 0.00 0.94 -0.28 0.00 -1.81 0.00 0.00 61.98 60.83 1vkh s VAL 5 Cb 0.00 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.17 1vkh s VAL 5 CO 0.00 -0.87 1.29 -0.13 -0.31 0.00 0.00 175.10 175.07 1vkh s ARG 6 N -4.55 3.43 0.34 4.82 3.00 -1.26 -4.98 118.95 119.75 1vkh s ARG 6 Ca 0.56 0.34 -0.29 0.00 0.00 0.00 0.00 55.73 56.34 1vkh s ARG 6 Cb -0.10 -4.06 -0.12 0.00 0.00 0.00 0.00 34.95 30.67 1vkh s ARG 6 CO 0.42 -1.79 1.43 0.00 0.00 0.00 0.00 175.30 175.36 1vkh n ALA 7 N 8.91 1.93 -2.59 2.13 0.00 -1.26 -4.99 120.51 124.64 1vkh n ALA 7 Ca 0.10 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.67 1vkh n ALA 7 Cb 0.49 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 1vkh n ALA 7 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1vkh s ILE 8 N -0.84 3.11 -0.01 0.00 -4.36 -1.26 -5.11 121.20 112.73 1vkh s ILE 8 Ca 0.57 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1vkh s ILE 8 Cb -0.53 -2.78 0.01 0.00 1.25 0.00 0.00 42.46 40.42 1vkh s ILE 8 CO 0.60 -0.32 -0.00 -0.55 0.24 0.00 0.00 174.94 174.90 1vkh s SER 9 N -3.68 0.20 0.78 4.36 0.15 -1.26 -4.01 113.70 110.25 1vkh s SER 9 Ca 0.33 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.85 1vkh s SER 9 Cb -0.04 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.25 1vkh s SER 9 CO 0.19 -0.04 1.09 -2.16 1.20 0.00 0.00 173.24 173.52 1vkh s PRO 10 N 0.44 2.19 -0.65 5.44 0.04 -1.26 -5.10 135.00 136.09 1vkh s PRO 10 Ca -0.04 0.80 0.06 0.00 0.04 0.00 0.00 61.00 61.86 1vkh s PRO 10 Cb -0.06 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.79 1vkh s PRO 10 CO -0.01 -1.59 0.68 -3.47 0.04 0.00 0.00 177.00 172.66 1vkh n ASP 11 N -3.44 3.55 -0.19 6.66 2.03 -1.26 -4.91 116.55 119.00 1vkh n ASP 11 Ca 0.07 -3.38 -0.05 0.00 0.52 0.00 0.00 54.79 51.95 1vkh n ASP 11 Cb 0.55 -0.69 0.13 0.00 -0.72 0.00 0.00 41.12 40.39 1vkh n ASP 11 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1vkh h ILE 12 N 3.46 1.24 -0.16 5.18 2.04 -1.99 -3.10 117.51 124.18 1vkh h ILE 12 Ca 0.19 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1vkh h ILE 12 Cb 0.69 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1vkh h ILE 12 CO 0.81 0.34 0.00 0.35 0.00 0.00 0.00 178.15 179.64 1vkh n THR 13 N -4.25 0.20 -2.22 -0.27 -2.24 -1.26 -4.93 114.28 99.31 1vkh n THR 13 Ca 0.05 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1vkh n THR 13 Cb 0.24 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1vkh n THR 13 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vkh n LEU 14 N 0.48 -1.43 0.12 3.22 4.77 -1.17 -4.52 117.00 118.46 1vkh n LEU 14 Ca 0.17 -0.03 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1vkh n LEU 14 Cb 0.38 -1.03 0.48 0.00 -2.33 0.00 0.00 43.42 40.92 1vkh n LEU 14 CO 0.14 -0.01 1.05 0.15 -1.33 0.00 0.00 177.39 177.39 1vkh h PHE 15 N -0.12 0.28 0.00 -1.77 3.57 -1.88 -2.38 116.94 114.63 1vkh h PHE 15 Ca -0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1vkh h PHE 15 Cb 1.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1vkh h PHE 15 CO 0.12 0.24 0.00 0.09 -2.23 0.00 0.00 178.31 176.52 1vkh n ASN 16 N -4.44 0.62 -0.36 0.41 3.02 -1.26 -1.85 115.26 111.41 1vkh n ASN 16 Ca 0.00 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.30 1vkh n ASN 16 Cb 0.13 -0.78 0.49 0.00 -0.61 0.00 0.00 39.78 39.01 1vkh n ASN 16 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vkh n LYS 17 N -2.17 1.48 -1.73 3.52 4.76 -0.90 -4.92 118.16 118.21 1vkh n LYS 17 Ca 0.03 -0.72 -0.42 0.00 -2.87 0.00 0.00 58.31 54.33 1vkh n LYS 17 Cb 0.25 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 1vkh n LYS 17 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1vkh s THR 18 N -1.89 2.30 0.06 -0.18 2.01 -0.77 -4.59 115.64 112.57 1vkh s THR 18 Ca 0.33 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 1vkh s THR 18 Cb 0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1vkh s THR 18 CO 0.27 0.00 0.25 -0.76 -0.69 0.00 0.00 174.62 173.69 1vkh s LEU 19 N 1.98 4.34 -0.24 4.42 1.43 -0.41 -4.71 118.68 125.49 1vkh s LEU 19 Ca 0.78 0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.23 1vkh s LEU 19 Cb -0.48 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1vkh s LEU 19 CO 0.34 0.18 -0.02 -0.89 0.23 0.00 0.00 176.35 176.19 1vkh s THR 20 N -1.47 3.37 -0.12 5.49 2.01 -1.26 -0.88 115.64 122.77 1vkh s THR 20 Ca 0.34 -0.67 0.18 0.00 0.31 0.00 0.00 61.69 61.84 1vkh s THR 20 Cb -0.13 -2.62 -0.19 0.00 0.01 0.00 0.00 72.50 69.57 1vkh s THR 20 CO 0.24 0.29 0.60 0.49 -0.69 0.00 0.00 174.62 175.55 1vkh n PHE 21 N 4.78 0.62 -3.51 4.92 3.72 0.84 -4.87 117.46 123.96 1vkh n PHE 21 Ca -0.17 0.21 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 1vkh n PHE 21 Cb 0.49 -0.98 -0.08 0.00 -0.94 0.00 0.00 39.48 37.97 1vkh n PHE 21 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1vkh s GLN 22 N -2.91 0.36 0.57 -1.08 0.74 -0.83 -4.91 119.66 111.60 1vkh s GLN 22 Ca -0.05 0.87 -0.14 0.00 0.05 0.00 0.00 55.36 56.08 1vkh s GLN 22 Cb 0.09 0.07 -0.06 0.00 1.10 0.00 0.00 33.01 34.21 1vkh s GLN 22 CO 0.83 -0.42 1.01 -2.00 -0.55 0.00 0.00 175.29 174.16 1vkh s GLU 23 N 2.62 3.68 0.34 1.67 2.56 -1.26 -0.55 118.70 127.76 1vkh s GLU 23 Ca 0.05 0.94 -0.29 0.00 0.00 0.00 0.00 54.97 55.67 1vkh s GLU 23 Cb -0.13 -2.09 -0.12 0.00 2.00 0.00 0.00 34.13 33.79 1vkh s GLU 23 CO -0.15 -0.50 1.47 -0.89 -0.56 0.00 0.00 175.26 174.63 1vkh n ILE 24 N -2.08 1.73 -3.26 -3.70 5.41 -1.26 -4.73 119.36 111.47 1vkh n ILE 24 Ca 0.07 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1vkh n ILE 24 Cb 0.54 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 1vkh n ILE 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1vkh n SER 25 N 0.98 0.00 -0.33 4.38 3.41 -1.26 -5.04 113.62 115.75 1vkh n SER 25 Ca 0.04 -0.71 0.07 0.00 -0.26 0.00 0.00 58.87 58.01 1vkh n SER 25 Cb 0.37 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.55 1vkh n SER 25 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1vkh h GLN 26 N 0.00 0.81 -0.41 4.33 -0.00 -1.96 -1.94 115.11 115.95 1vkh h GLN 26 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1vkh h GLN 26 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 27.48 27.30 1vkh h GLN 26 CO 0.00 0.54 0.00 -1.71 -0.00 0.00 0.00 178.83 177.66 1vkh n ASN 27 N -4.72 3.24 -4.71 0.06 5.15 -1.26 -4.97 115.26 108.04 1vkh n ASN 27 Ca 0.18 -1.96 -0.42 0.00 -0.60 0.00 0.00 54.58 51.78 1vkh n ASN 27 Cb 0.38 -0.27 -0.03 0.00 -0.53 0.00 0.00 39.78 39.33 1vkh n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1vkh s THR 28 N -1.47 2.76 -0.01 -0.44 2.01 -0.73 -4.25 115.64 113.50 1vkh s THR 28 Ca 0.39 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.89 1vkh s THR 28 Cb 0.22 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1vkh s THR 28 CO 0.31 0.03 0.01 0.54 -0.69 0.00 0.00 174.62 174.82 1vkh n ARG 29 N 4.35 2.79 -4.12 4.92 1.74 0.87 -4.97 116.66 122.24 1vkh n ARG 29 Ca 0.14 -0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 1vkh n ARG 29 Cb 0.39 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.67 1vkh n ARG 29 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1vkh s GLU 30 N -2.06 0.62 -0.08 5.56 0.41 -0.45 -4.88 118.70 117.82 1vkh s GLU 30 Ca -0.01 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 53.81 1vkh s GLU 30 Cb 0.01 -0.48 -0.02 0.00 -1.78 0.00 0.00 34.13 31.86 1vkh s GLU 30 CO 0.07 0.10 -0.14 0.00 -0.49 0.00 0.00 175.26 174.80 1vkh s ALA 31 N -1.23 2.64 -0.19 5.21 0.00 -1.24 -1.44 121.76 125.51 1vkh s ALA 31 Ca -0.06 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1vkh s ALA 31 Cb -0.09 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1vkh s ALA 31 CO 0.01 0.45 -0.00 0.08 0.00 0.00 0.00 175.76 176.29 1vkh s VAL 32 N -0.35 3.99 -0.17 0.00 1.01 0.33 0.65 120.40 125.87 1vkh s VAL 32 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1vkh s VAL 32 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1vkh s VAL 32 CO 0.02 0.44 -0.20 -0.63 0.00 0.00 0.00 175.10 174.73 1vkh s ILE 33 N 0.88 2.00 -0.01 2.22 1.01 0.08 -1.20 121.20 126.19 1vkh s ILE 33 Ca 0.01 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 1vkh s ILE 33 Cb -0.14 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1vkh s ILE 33 CO 0.02 0.53 0.30 -0.31 0.00 0.00 0.00 174.94 175.48 1vkh s TYR 34 N 1.21 3.61 -0.17 3.97 2.02 0.43 -0.32 117.35 128.11 1vkh s TYR 34 Ca 0.02 0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1vkh s TYR 34 Cb -0.13 -2.07 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 1vkh s TYR 34 CO -0.10 0.63 -0.03 0.42 -1.57 0.00 0.00 175.55 174.89 1vkh s ILE 35 N -1.22 0.95 0.78 2.71 1.01 0.11 -1.55 121.20 123.99 1vkh s ILE 35 Ca 0.25 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.22 1vkh s ILE 35 Cb -0.14 -1.19 0.06 0.00 0.01 0.00 0.00 42.46 41.20 1vkh s ILE 35 CO 0.14 0.06 1.09 -1.38 0.00 0.00 0.00 174.94 174.84 1vkh s HIS 36 N 1.70 2.64 0.00 3.97 -3.43 -1.26 -2.38 115.29 116.52 1vkh s HIS 36 Ca 0.00 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 55.74 1vkh s HIS 36 Cb -0.16 -3.04 0.00 0.00 -1.43 0.00 0.00 32.58 27.96 1vkh s HIS 36 CO -0.07 -1.79 0.00 0.41 -2.00 0.00 0.00 174.74 171.29 1vkh n GLY 37 N -1.36 3.39 0.00 -1.38 0.00 -1.12 -3.29 105.19 101.43 1vkh n GLY 37 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1vkh n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkh n GLY 38 N 5.00 1.55 2.38 -0.02 0.00 -1.26 -4.73 105.19 108.11 1vkh n GLY 38 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1vkh n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkh n ALA 39 N -0.29 -0.35 -0.77 4.61 0.00 -1.26 -1.40 120.51 121.06 1vkh n ALA 39 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1vkh n ALA 39 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1vkh n ALA 39 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1vkh n TRP 40 N -3.26 0.00 0.00 0.00 8.01 -1.26 -4.72 117.44 116.21 1vkh n TRP 40 Ca -0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.02 1vkh n TRP 40 Cb 0.58 -1.03 0.00 0.00 -2.01 0.00 0.00 31.31 28.84 1vkh n TRP 40 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 1vkh n ASN 41 N -0.17 0.00 -4.58 -0.99 0.23 -0.53 -0.04 115.26 109.19 1vkh n ASN 41 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.62 1vkh n ASN 41 Cb 0.08 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.75 1vkh n ASN 41 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1vkh s ASP 42 N -0.31 6.55 0.00 0.53 -1.08 -0.49 -4.84 116.67 117.03 1vkh s ASP 42 Ca 0.00 0.25 0.15 0.00 -0.52 0.00 0.00 52.55 52.43 1vkh s ASP 42 Cb 0.00 -2.46 0.68 0.00 -1.46 0.00 0.00 42.92 39.68 1vkh s ASP 42 CO 0.00 -1.03 1.45 -0.81 0.52 0.00 0.00 175.17 175.29 1vkh n PRO 43 N 7.17 0.09 0.18 4.34 -0.04 -1.26 -2.18 135.00 143.30 1vkh n PRO 43 Ca 0.07 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1vkh n PRO 43 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.70 1vkh n PRO 43 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1vkh h GLU 44 N 0.00 0.00 -5.55 0.54 4.39 -1.98 -3.42 114.58 108.56 1vkh h GLU 44 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 1vkh h GLU 44 Cb 0.21 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.75 1vkh h GLU 44 CO 0.00 0.00 0.19 -0.80 -1.16 0.00 0.00 179.01 177.24 1vkh s ASN 45 N -5.61 6.61 0.37 1.42 -0.87 -0.93 -4.97 114.94 110.96 1vkh s ASN 45 Ca 0.08 0.75 0.04 0.00 -1.57 0.00 0.00 52.86 52.16 1vkh s ASN 45 Cb 0.08 -2.35 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1vkh s ASN 45 CO 0.64 -0.37 0.13 0.42 -2.57 0.00 0.00 177.10 175.35 1vkh s THR 46 N 2.48 0.60 0.65 1.60 -4.23 -1.26 -4.96 115.64 110.52 1vkh s THR 46 Ca 0.27 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.19 1vkh s THR 46 Cb -0.15 -2.46 0.42 0.00 1.34 0.00 0.00 72.50 71.64 1vkh s THR 46 CO 0.08 0.00 2.32 -0.65 -0.54 0.00 0.00 174.62 175.83 1vkh h PRO 47 N 1.96 0.00 0.00 3.99 0.11 -1.89 -1.62 132.00 134.55 1vkh h PRO 47 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1vkh h PRO 47 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1vkh h PRO 47 CO 0.57 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.65 1vkh n ASN 48 N -3.25 0.00 -0.27 -2.05 5.15 -1.26 -3.53 115.26 110.05 1vkh n ASN 48 Ca -0.03 -0.01 0.19 0.00 -0.60 0.00 0.00 54.58 54.13 1vkh n ASN 48 Cb 0.10 -0.31 0.48 0.00 -0.53 0.00 0.00 39.78 39.52 1vkh n ASN 48 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1vkh h ASP 49 N 0.00 0.47 -0.41 1.20 5.19 -1.67 -1.64 116.42 119.56 1vkh h ASP 49 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1vkh h ASP 49 Cb 0.26 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1vkh h ASP 49 CO 0.00 0.17 0.00 0.49 -3.12 0.00 0.00 179.24 176.78 1vkh n PHE 50 N -4.56 0.55 -0.08 4.55 3.72 -1.23 -4.50 117.46 115.91 1vkh n PHE 50 Ca 0.21 -0.27 -0.07 0.00 -0.05 0.00 0.00 57.45 57.27 1vkh n PHE 50 Cb 0.70 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.24 1vkh n PHE 50 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1vkh h ASN 51 N 2.48 -0.12 0.02 4.37 -1.24 -1.54 0.88 115.58 120.44 1vkh h ASN 51 Ca 0.00 0.07 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1vkh h ASN 51 Cb 0.57 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.74 1vkh h ASN 51 CO 0.00 -0.03 -0.01 -0.61 -1.29 0.00 0.00 177.43 175.49 1vkh h GLN 52 N 0.09 -0.03 -0.73 6.67 4.15 -1.82 -0.86 115.11 122.57 1vkh h GLN 52 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1vkh h GLN 52 Cb 0.19 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 1vkh h GLN 52 CO -0.24 0.11 0.47 1.25 -1.93 0.00 0.00 178.83 178.48 1vkh h LEU 53 N -0.16 0.84 -0.96 -2.39 6.46 -1.70 -0.76 115.31 116.64 1vkh h LEU 53 Ca -0.00 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 1vkh h LEU 53 Cb 0.15 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1vkh h LEU 53 CO 0.00 0.62 -0.19 0.00 -0.62 0.00 0.00 178.44 178.26 1vkh h ALA 54 N 1.26 1.12 -0.02 1.25 0.00 -0.71 -1.15 119.26 120.99 1vkh h ALA 54 Ca 0.26 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1vkh h ALA 54 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1vkh h ALA 54 CO -0.06 0.55 -0.78 -0.91 0.00 0.00 0.00 179.25 178.05 1vkh h ASN 55 N 0.49 0.28 -0.36 0.00 2.35 -0.55 0.49 115.58 118.28 1vkh h ASN 55 Ca 0.08 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1vkh h ASN 55 Cb 0.60 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1vkh h ASN 55 CO 0.04 0.96 0.15 0.74 -1.65 0.00 0.00 177.43 177.67 1vkh h THR 56 N 0.14 1.19 -0.57 2.81 2.02 -0.90 -1.40 112.91 116.20 1vkh h THR 56 Ca -0.03 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1vkh h THR 56 Cb 1.37 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1vkh h THR 56 CO 0.12 0.20 0.36 0.40 0.37 0.00 0.00 175.52 176.98 1vkh h ILE 57 N 0.43 1.11 -0.97 3.11 2.04 -0.98 -2.38 117.51 119.86 1vkh h ILE 57 Ca 0.12 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.83 1vkh h ILE 57 Cb 0.18 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 1vkh h ILE 57 CO -0.01 0.13 0.62 0.50 0.00 0.00 0.00 178.15 179.40 1vkh h LYS 58 N 0.73 0.99 -0.82 2.37 3.64 -0.60 0.89 116.57 123.77 1vkh h LYS 58 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1vkh h LYS 58 Cb -0.04 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1vkh h LYS 58 CO -0.07 0.65 0.00 0.43 -2.27 0.00 0.00 179.45 178.19 1vkh n SER 59 N -4.56 0.44 -2.64 4.20 7.64 -0.56 -4.43 113.62 113.71 1vkh n SER 59 Ca 0.17 -0.50 -0.07 0.00 1.01 0.00 0.00 58.87 59.48 1vkh n SER 59 Cb 0.30 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1vkh n SER 59 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1vkh n ASP 61 N 0.56 -1.28 0.27 6.43 2.03 0.30 -4.99 116.55 119.88 1vkh n ASP 61 Ca 0.00 -0.22 0.16 0.00 0.52 0.00 0.00 54.79 55.25 1vkh n ASP 61 Cb 0.09 -0.42 0.64 0.00 -0.72 0.00 0.00 41.12 40.71 1vkh n ASP 61 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1vkh h THR 62 N 0.64 0.07 -0.09 5.18 1.35 -1.88 -2.33 112.91 115.85 1vkh h THR 62 Ca -0.17 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1vkh h THR 62 Cb 0.37 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1vkh h THR 62 CO 0.09 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.77 1vkh n GLU 63 N -3.13 2.04 -3.50 4.72 -0.58 -1.26 -4.97 120.64 113.96 1vkh n GLU 63 Ca 0.01 -1.53 -0.19 0.00 -0.42 0.00 0.00 57.16 55.02 1vkh n GLU 63 Cb 0.33 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1vkh n GLU 63 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1vkh n SER 64 N 0.83 -2.76 0.01 1.62 7.64 -0.88 -4.79 113.62 115.29 1vkh n SER 64 Ca 0.17 -0.73 0.12 0.00 1.01 0.00 0.00 58.87 59.44 1vkh n SER 64 Cb 0.48 -4.68 0.15 0.00 -1.01 0.00 0.00 64.21 59.15 1vkh n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1vkh n THR 65 N -4.02 0.08 -4.43 0.44 -2.24 -1.26 -3.05 114.28 99.80 1vkh n THR 65 Ca -0.24 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.12 1vkh n THR 65 Cb 0.66 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 1vkh n THR 65 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1vkh s VAL 66 N -3.06 4.01 0.18 2.28 1.01 -1.26 -0.09 120.40 123.47 1vkh s VAL 66 Ca 0.09 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1vkh s VAL 66 Cb 0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1vkh s VAL 66 CO 0.74 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 176.31 1vkh s GLN 68 N -2.90 0.22 0.10 0.00 -0.21 0.28 -0.51 119.66 116.64 1vkh s GLN 68 Ca 0.26 0.59 0.02 0.00 0.02 0.00 0.00 55.36 56.25 1vkh s GLN 68 Cb -0.09 -0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.79 1vkh s GLN 68 CO 0.16 -0.18 -0.07 0.71 -2.12 0.00 0.00 175.29 173.79 1vkh s TYR 69 N 1.46 0.92 -0.03 0.91 1.51 -0.34 -0.11 117.35 121.67 1vkh s TYR 69 Ca -0.08 -0.87 0.00 0.00 -1.01 0.00 0.00 57.07 55.11 1vkh s TYR 69 Cb -0.10 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1vkh s TYR 69 CO -0.09 -0.12 0.01 0.45 -1.11 0.00 0.00 175.55 174.69 1vkh s SER 70 N -2.96 0.39 0.24 2.29 0.15 -0.06 -0.42 113.70 113.32 1vkh s SER 70 Ca 0.11 -0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.82 1vkh s SER 70 Cb 0.04 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1vkh s SER 70 CO -0.04 -0.12 0.17 0.27 1.20 0.00 0.00 173.24 174.73 1vkh s ILE 71 N 1.10 4.38 0.29 6.45 -5.25 -0.59 -1.29 121.20 126.29 1vkh s ILE 71 Ca -0.09 -1.39 0.08 0.00 -0.99 0.00 0.00 60.65 58.26 1vkh s ILE 71 Cb -0.13 -3.35 -0.04 0.00 2.95 0.00 0.00 42.46 41.89 1vkh s ILE 71 CO -0.02 -0.32 0.11 -0.70 -1.79 0.00 0.00 174.94 172.22 1vkh s GLU 72 N -3.73 2.49 0.13 0.37 2.56 -1.26 -4.45 118.70 114.81 1vkh s GLU 72 Ca 0.32 -1.37 -0.17 0.00 0.00 0.00 0.00 54.97 53.76 1vkh s GLU 72 Cb -0.08 -2.28 0.04 0.00 2.00 0.00 0.00 34.13 33.81 1vkh s GLU 72 CO 0.24 0.27 0.43 1.52 -0.56 0.00 0.00 175.26 177.17 1vkh s TYR 73 N -2.31 -0.25 0.50 5.30 1.13 -1.26 -4.31 117.35 116.14 1vkh s TYR 73 Ca 0.34 -0.05 -0.18 0.00 -1.41 0.00 0.00 57.07 55.77 1vkh s TYR 73 Cb -0.05 0.30 -0.08 0.00 -1.10 0.00 0.00 41.96 41.03 1vkh s TYR 73 CO 0.22 -0.73 0.99 1.03 -2.51 0.00 0.00 175.55 174.56 1vkh s ARG 74 N -3.80 3.91 0.15 -3.49 0.52 -1.26 -5.04 118.95 109.95 1vkh s ARG 74 Ca 0.03 1.08 0.05 0.00 -0.52 0.00 0.00 55.73 56.37 1vkh s ARG 74 Cb 0.01 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1vkh s ARG 74 CO -0.12 -0.30 0.10 -0.51 0.02 0.00 0.00 175.30 174.48 1vkh s LEU 75 N -3.82 3.69 0.83 2.53 1.43 -1.26 -4.58 118.68 117.50 1vkh s LEU 75 Ca 0.61 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 1vkh s LEU 75 Cb -0.11 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 43.88 1vkh s LEU 75 CO 0.26 0.09 1.11 -0.94 0.23 0.00 0.00 176.35 177.10 1vkh s SER 76 N -2.96 3.82 0.00 2.29 1.04 0.95 -2.23 113.70 116.61 1vkh s SER 76 Ca 0.30 1.97 0.28 0.00 0.48 0.00 0.00 55.95 58.97 1vkh s SER 76 Cb -0.10 -2.53 0.99 0.00 0.10 0.00 0.00 66.02 64.48 1vkh s SER 76 CO 0.22 -2.50 1.74 -0.81 0.98 0.00 0.00 173.24 172.87 1vkh n PRO 77 N -3.83 0.26 0.07 4.02 -0.04 -1.26 -4.60 135.00 129.62 1vkh n PRO 77 Ca 0.10 -0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1vkh n PRO 77 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1vkh n PRO 77 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1vkh h GLU 78 N 0.23 0.32 -5.16 0.54 3.07 -1.89 -3.42 114.58 108.27 1vkh h GLU 78 Ca 0.00 -0.29 -0.67 0.00 -0.50 0.00 0.00 59.36 57.91 1vkh h GLU 78 Cb 0.45 0.07 -0.31 0.00 -0.84 0.00 0.00 28.75 28.12 1vkh h GLU 78 CO 0.00 0.95 -0.81 0.42 -1.40 0.00 0.00 179.01 178.18 1vkh s ILE 79 N -3.47 2.61 0.37 3.13 1.09 -0.95 -5.09 121.20 118.90 1vkh s ILE 79 Ca -0.05 -0.78 0.06 0.00 -1.10 0.00 0.00 60.65 58.78 1vkh s ILE 79 Cb 0.10 -2.11 -0.07 0.00 -1.06 0.00 0.00 42.46 39.32 1vkh s ILE 79 CO 0.83 0.51 0.03 0.42 -0.10 0.00 0.00 174.94 176.63 1vkh s THR 80 N 0.93 1.69 0.35 2.92 -4.23 -1.26 -2.38 115.64 113.65 1vkh s THR 80 Ca -0.03 -2.01 -0.28 0.00 -1.18 0.00 0.00 61.69 58.19 1vkh s THR 80 Cb -0.15 -2.91 -0.12 0.00 1.34 0.00 0.00 72.50 70.66 1vkh s THR 80 CO -0.02 -0.01 1.43 -3.20 -0.54 0.00 0.00 174.62 172.28 1vkh n ASN 81 N -0.85 3.40 -1.86 3.99 5.15 -0.09 -0.83 115.26 124.17 1vkh n ASN 81 Ca -0.04 1.21 0.05 0.00 -0.60 0.00 0.00 54.58 55.20 1vkh n ASN 81 Cb 0.67 -1.56 0.38 0.00 -0.53 0.00 0.00 39.78 38.74 1vkh n ASN 81 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1vkh n PRO 82 N 0.79 4.63 0.12 1.20 -0.04 -1.26 -4.94 135.00 135.50 1vkh n PRO 82 Ca 0.04 -3.02 -0.00 0.00 -0.04 0.00 0.00 63.50 60.48 1vkh n PRO 82 Cb 0.37 -2.24 0.27 0.00 -0.04 0.00 0.00 33.50 31.87 1vkh n PRO 82 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vkh h ARG 83 N 3.69 0.17 -0.19 0.54 9.65 -1.37 0.71 114.38 127.58 1vkh h ARG 83 Ca 0.03 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1vkh h ARG 83 Cb 1.97 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 30.54 1vkh h ARG 83 CO 0.51 0.53 0.03 -0.91 2.80 0.00 0.00 179.97 182.93 1vkh h ASN 84 N 0.15 0.30 -0.54 -3.80 4.21 -1.81 -1.67 115.58 112.43 1vkh h ASN 84 Ca 0.02 -0.26 0.09 0.00 1.21 0.00 0.00 56.30 57.36 1vkh h ASN 84 Cb 0.74 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.79 1vkh h ASN 84 CO 0.06 0.48 0.15 0.25 -1.29 0.00 0.00 177.43 177.08 1vkh h LEU 85 N 0.11 0.08 -1.56 1.61 5.85 -1.83 -2.41 115.31 117.16 1vkh h LEU 85 Ca 0.06 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1vkh h LEU 85 Cb 0.31 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1vkh h LEU 85 CO 0.00 0.07 -0.16 1.88 -0.34 0.00 0.00 178.44 179.89 1vkh h TYR 86 N 0.30 0.08 -0.31 1.25 0.05 -0.56 0.76 116.97 118.54 1vkh h TYR 86 Ca 0.27 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1vkh h TYR 86 Cb 0.35 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1vkh h TYR 86 CO -0.20 0.24 0.15 -0.44 -1.05 0.00 0.00 178.16 176.86 1vkh h ASP 87 N 0.08 0.42 -0.45 3.88 5.19 -0.84 0.14 116.42 124.84 1vkh h ASP 87 Ca 0.02 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.24 1vkh h ASP 87 Cb 0.34 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1vkh h ASP 87 CO 0.02 0.43 0.09 0.00 -3.12 0.00 0.00 179.24 176.67 1vkh h ALA 88 N 1.00 0.59 -0.30 3.45 0.00 -0.89 0.42 119.26 123.53 1vkh h ALA 88 Ca 0.11 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1vkh h ALA 88 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1vkh h ALA 88 CO -0.01 0.29 0.17 0.28 0.00 0.00 0.00 179.25 179.97 1vkh h VAL 89 N 0.59 1.02 -0.37 0.00 2.07 -0.82 -0.24 116.25 118.51 1vkh h VAL 89 Ca 0.14 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1vkh h VAL 89 Cb 0.34 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1vkh h VAL 89 CO 0.00 0.06 0.16 -1.28 0.02 0.00 0.00 177.57 176.54 1vkh h SER 90 N 0.35 0.21 -0.62 0.57 0.87 -0.34 -0.46 113.55 114.13 1vkh h SER 90 Ca 0.12 0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1vkh h SER 90 Cb 0.01 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1vkh h SER 90 CO -0.06 0.16 0.02 0.78 -0.53 0.00 0.00 176.83 177.20 1vkh h ASN 91 N 0.33 1.07 -0.38 6.23 2.35 -0.69 -1.49 115.58 122.99 1vkh h ASN 91 Ca 0.16 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1vkh h ASN 91 Cb 0.10 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1vkh h ASN 91 CO -0.14 1.10 0.01 0.40 -1.65 0.00 0.00 177.43 177.16 1vkh h ILE 92 N 1.00 1.26 -0.55 2.81 2.04 -0.91 -1.29 117.51 121.86 1vkh h ILE 92 Ca 0.18 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1vkh h ILE 92 Cb 0.55 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1vkh h ILE 92 CO 0.03 0.33 0.27 0.74 0.00 0.00 0.00 178.15 179.51 1vkh h THR 93 N 0.49 0.92 -0.41 -0.27 2.02 -0.77 -0.39 112.91 114.51 1vkh h THR 93 Ca 0.11 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1vkh h THR 93 Cb 0.45 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1vkh h THR 93 CO 0.02 0.09 0.07 -0.09 0.37 0.00 0.00 175.52 175.98 1vkh h ARG 94 N 0.51 0.67 -0.11 6.66 2.43 -1.10 -2.57 114.38 120.87 1vkh h ARG 94 Ca 0.25 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1vkh h ARG 94 Cb 0.19 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1vkh h ARG 94 CO -0.19 0.71 -0.02 1.25 -1.51 0.00 0.00 179.97 180.20 1vkh h LEU 95 N 0.52 -0.09 -0.62 3.80 5.85 -0.97 0.83 115.31 124.63 1vkh h LEU 95 Ca 0.12 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.97 1vkh h LEU 95 Cb 0.36 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1vkh h LEU 95 CO 0.01 -0.03 0.26 0.58 -0.34 0.00 0.00 178.44 178.91 1vkh h VAL 96 N 0.00 0.80 -0.35 1.05 2.07 -1.02 -0.40 116.25 118.41 1vkh h VAL 96 Ca 0.05 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1vkh h VAL 96 Cb 0.08 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1vkh h VAL 96 CO -0.11 0.08 -0.35 0.50 0.02 0.00 0.00 177.57 177.71 1vkh h LYS 97 N 0.46 0.85 -0.18 1.57 1.63 -1.09 0.21 116.57 120.02 1vkh h LYS 97 Ca 0.31 -0.45 -0.05 0.00 -0.85 0.00 0.00 60.65 59.61 1vkh h LYS 97 Cb 0.36 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1vkh h LYS 97 CO -0.29 1.09 -0.08 1.49 -3.45 0.00 0.00 179.45 178.21 1vkh h GLU 98 N 0.64 0.37 -0.00 1.90 4.81 -0.54 -3.17 114.58 118.58 1vkh h GLU 98 Ca 0.05 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1vkh h GLU 98 Cb 0.94 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1vkh h GLU 98 CO 0.09 0.67 -0.38 1.63 -0.73 0.00 0.00 179.01 180.29 1vkh n LYS 99 N -4.60 0.15 -3.20 1.92 4.76 -0.19 -4.98 118.16 112.02 1vkh n LYS 99 Ca -0.05 -0.08 -0.15 0.00 -2.87 0.00 0.00 58.31 55.16 1vkh n LYS 99 Cb 0.31 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.07 1vkh n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vkh n GLY 100 N 1.47 -0.18 3.64 0.72 0.00 0.61 -4.96 105.19 106.48 1vkh n GLY 100 Ca 0.07 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1vkh n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vkh s LEU 101 N -5.56 3.94 0.02 0.99 1.43 -0.45 -4.88 118.68 114.17 1vkh s LEU 101 Ca 0.20 1.39 0.12 0.00 -1.03 0.00 0.00 54.13 54.81 1vkh s LEU 101 Cb -0.09 -3.54 -0.20 0.00 0.03 0.00 0.00 46.19 42.40 1vkh s LEU 101 CO 0.56 -1.06 0.85 0.00 0.23 0.00 0.00 176.35 176.93 1vkh h THR 102 N 5.91 0.95 -4.04 5.49 1.03 -1.92 -3.47 112.91 116.86 1vkh h THR 102 Ca -0.28 -2.69 -0.13 0.00 -0.01 0.00 0.00 66.41 63.30 1vkh h THR 102 Cb 1.11 2.43 -0.12 0.00 -1.07 0.00 0.00 68.15 70.50 1vkh h THR 102 CO 1.01 0.54 -0.35 0.54 -0.01 0.00 0.00 175.52 177.26 1vkh s ASN 103 N -6.17 0.04 -0.07 0.00 2.20 -1.26 -4.81 114.94 104.86 1vkh s ASN 103 Ca -0.03 -1.06 -0.17 0.00 -0.94 0.00 0.00 52.86 50.66 1vkh s ASN 103 Cb 0.08 0.47 0.04 0.00 -2.00 0.00 0.00 41.25 39.84 1vkh s ASN 103 CO 0.82 -0.96 0.41 0.27 -2.94 0.00 0.00 177.10 174.69 1vkh s ILE 104 N -4.05 0.03 0.00 0.54 -4.36 -0.55 -3.68 121.20 109.13 1vkh s ILE 104 Ca 0.26 -0.23 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 1vkh s ILE 104 Cb 0.03 -0.66 0.00 0.00 1.25 0.00 0.00 42.46 43.08 1vkh s ILE 104 CO 0.07 -0.13 0.00 0.59 0.24 0.00 0.00 174.94 175.71 1vkh n ASN 105 N 1.80 1.27 0.00 4.36 3.02 0.21 0.11 115.26 126.03 1vkh n ASN 105 Ca -0.18 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1vkh n ASN 105 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 1vkh n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1vkh n VAL 107 N -0.30 0.00 -4.09 2.41 0.31 0.56 -0.74 118.33 116.49 1vkh n VAL 107 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1vkh n VAL 107 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1vkh n VAL 107 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1vkh s GLY 108 N 0.00 0.57 -0.05 2.92 0.00 -0.75 0.08 107.32 110.10 1vkh s GLY 108 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1vkh s GLY 108 CO 0.00 -0.85 -0.25 -1.58 0.00 0.00 0.00 173.10 170.42 1vkh s HIS 109 N -1.33 2.41 0.00 1.90 2.46 -1.00 -0.22 115.29 119.50 1vkh s HIS 109 Ca -0.08 -0.64 0.00 0.00 0.47 0.00 0.00 55.06 54.80 1vkh s HIS 109 Cb -0.10 -1.57 0.00 0.00 -0.13 0.00 0.00 32.58 30.78 1vkh s HIS 109 CO 0.01 -0.17 0.00 0.45 -2.47 0.00 0.00 174.74 172.56 1vkh n SER 110 N 2.80 0.00 0.25 9.88 2.88 -0.30 -0.50 113.62 128.63 1vkh n SER 110 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 1vkh n SER 110 Cb 0.52 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.83 1vkh n SER 110 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1vkh h VAL 111 N 0.00 0.53 -0.81 2.46 2.07 -1.87 -1.04 116.25 117.59 1vkh h VAL 111 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1vkh h VAL 111 Cb 0.00 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1vkh h VAL 111 CO 0.00 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.21 1vkh h GLY 112 N 0.00 1.24 1.42 2.17 0.00 -0.78 -0.74 103.07 106.37 1vkh h GLY 112 Ca 0.04 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1vkh h GLY 112 CO -0.00 0.58 -0.10 0.00 0.00 0.00 0.00 176.54 177.01 1vkh h ALA 113 N 1.28 1.08 -0.54 3.60 0.00 -1.24 -2.53 119.26 120.90 1vkh h ALA 113 Ca 0.28 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1vkh h ALA 113 Cb 0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1vkh h ALA 113 CO -0.04 0.57 0.26 1.15 0.00 0.00 0.00 179.25 181.19 1vkh h THR 114 N 0.64 0.92 -0.67 0.00 2.02 -0.70 -1.03 112.91 114.09 1vkh h THR 114 Ca 0.11 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1vkh h THR 114 Cb 0.55 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1vkh h THR 114 CO 0.03 0.09 0.36 -0.26 0.37 0.00 0.00 175.52 176.12 1vkh h PHE 115 N 0.50 0.91 -0.36 3.16 0.04 -0.85 0.68 116.94 121.03 1vkh h PHE 115 Ca 0.25 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1vkh h PHE 115 Cb 0.19 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 1vkh h PHE 115 CO -0.11 0.65 0.14 0.82 -0.60 0.00 0.00 178.31 179.21 1vkh h ILE 116 N 0.91 1.19 -0.57 -0.55 2.04 -1.01 -0.98 117.51 118.54 1vkh h ILE 116 Ca 0.23 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.59 1vkh h ILE 116 Cb 0.04 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1vkh h ILE 116 CO -0.04 0.21 0.17 -0.25 0.00 0.00 0.00 178.15 178.25 1vkh h TRP 117 N 0.43 0.29 -0.76 1.37 2.91 -0.81 -0.78 115.95 118.59 1vkh h TRP 117 Ca 0.12 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.18 1vkh h TRP 117 Cb 0.20 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.77 1vkh h TRP 117 CO -0.00 0.04 0.50 1.96 -1.03 0.00 0.00 178.44 179.91 1vkh h GLN 118 N 0.33 0.98 -0.81 2.65 4.20 -0.36 -2.11 115.11 119.99 1vkh h GLN 118 Ca 0.29 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.96 1vkh h GLN 118 Cb 0.38 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1vkh h GLN 118 CO -0.33 0.65 0.53 0.82 -0.67 0.00 0.00 178.83 179.83 1vkh h ILE 119 N 1.01 1.16 0.00 2.54 2.04 -0.47 -1.82 117.51 121.97 1vkh h ILE 119 Ca 0.29 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1vkh h ILE 119 Cb -0.08 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1vkh h ILE 119 CO -0.08 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.20 1vkh h LEU 120 N 1.05 0.00 -1.82 1.44 3.38 -0.48 -2.36 115.31 116.52 1vkh h LEU 120 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1vkh h LEU 120 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1vkh h LEU 120 CO -0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.44 1vkh n ALA 121 N -1.93 2.46 0.08 1.53 0.00 -0.69 -4.06 120.51 117.90 1vkh n ALA 121 Ca -0.00 -0.80 0.16 0.00 0.00 0.00 0.00 53.44 52.80 1vkh n ALA 121 Cb 0.17 -0.96 0.68 0.00 0.00 0.00 0.00 19.45 19.34 1vkh n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vkh h ALA 122 N 4.32 2.35 0.00 0.00 0.00 -1.39 -1.36 119.26 123.17 1vkh h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vkh h ALA 122 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vkh h ALA 122 CO 0.00 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.08 1vkh n LEU 123 N -4.43 0.00 0.21 0.00 4.77 -1.26 -2.54 117.00 113.75 1vkh n LEU 123 Ca 0.06 0.31 0.18 0.00 -0.03 0.00 0.00 56.01 56.53 1vkh n LEU 123 Cb 0.45 -0.31 0.79 0.00 -2.33 0.00 0.00 43.42 42.02 1vkh n LEU 123 CO 0.36 -0.19 1.15 0.07 -1.33 0.00 0.00 177.39 177.45 1vkh h LYS 124 N 0.00 0.00 -5.58 3.23 2.10 -1.58 -3.40 116.57 111.34 1vkh h LYS 124 Ca 0.00 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.99 1vkh h LYS 124 Cb 0.12 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.20 1vkh h LYS 124 CO 0.00 0.00 -0.75 -0.51 -2.00 0.00 0.00 179.45 176.19 1vkh s ASP 125 N -4.96 4.13 0.67 7.07 1.01 -1.05 -5.12 116.67 118.42 1vkh s ASP 125 Ca -0.04 -0.26 -0.12 0.00 0.71 0.00 0.00 52.55 52.84 1vkh s ASP 125 Cb 0.12 -1.44 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 1vkh s ASP 125 CO 0.43 0.22 1.06 -2.16 0.21 0.00 0.00 175.17 174.93 1vkh s PRO 126 N 0.05 2.98 0.59 8.23 0.04 -1.26 -4.92 135.00 140.71 1vkh s PRO 126 Ca -0.04 1.06 0.29 0.00 0.04 0.00 0.00 61.00 62.35 1vkh s PRO 126 Cb -0.14 -1.99 1.69 0.00 0.04 0.00 0.00 34.50 34.10 1vkh s PRO 126 CO 0.04 -1.07 2.12 1.96 0.04 0.00 0.00 177.00 180.09 1vkh h GLN 127 N -0.40 0.00 0.00 4.56 4.20 -1.97 0.33 115.11 121.83 1vkh h GLN 127 Ca -0.45 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 1vkh h GLN 127 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1vkh h GLN 127 CO 0.56 0.00 -0.27 0.93 -0.67 0.00 0.00 178.83 179.38 1vkh h GLU 128 N 0.00 0.00 -4.47 1.46 3.07 -2.05 -3.48 114.58 109.11 1vkh h GLU 128 Ca 0.07 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.22 1vkh h GLU 128 Cb 0.44 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.07 1vkh h GLU 128 CO -0.00 0.27 -0.48 0.15 -1.40 0.00 0.00 179.01 177.56 1vkh s LYS 129 N -3.90 2.59 0.39 2.33 1.02 0.10 -5.23 119.74 117.05 1vkh s LYS 129 Ca -0.01 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.57 1vkh s LYS 129 Cb 0.12 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 1vkh s LYS 129 CO 0.66 -0.94 0.07 -1.54 -0.92 0.00 0.00 175.35 172.67 1vkh s SER 131 N 2.06 3.00 0.20 2.83 1.04 -1.26 -4.98 113.70 116.59 1vkh s SER 131 Ca 0.03 -1.52 -0.11 0.00 0.48 0.00 0.00 55.95 54.83 1vkh s SER 131 Cb -0.23 0.17 0.17 0.00 0.10 0.00 0.00 66.02 66.24 1vkh s SER 131 CO 0.02 -0.73 1.82 -0.08 0.98 0.00 0.00 173.24 175.25 1vkh h GLU 132 N 1.83 0.69 -0.85 4.02 4.57 -2.02 -0.14 114.58 122.68 1vkh h GLU 132 Ca -0.40 -0.04 0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1vkh h GLU 132 Cb 1.27 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1vkh h GLU 132 CO 0.68 0.45 0.56 0.00 -1.18 0.00 0.00 179.01 179.52 1vkh h ALA 133 N 1.29 1.10 -0.49 2.92 0.00 -1.99 -1.08 119.26 121.01 1vkh h ALA 133 Ca 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1vkh h ALA 133 Cb 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1vkh h ALA 133 CO -0.13 0.44 -0.11 1.96 0.00 0.00 0.00 179.25 181.42 1vkh h GLN 134 N 1.11 0.91 -0.78 0.00 4.20 -1.89 -2.57 115.11 116.10 1vkh h GLN 134 Ca 0.32 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1vkh h GLN 134 Cb -0.07 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1vkh h GLN 134 CO -0.09 0.97 0.37 -0.07 -0.67 0.00 0.00 178.83 179.34 1vkh h LEU 135 N 0.82 1.01 -2.12 1.46 3.38 -0.80 -0.37 115.31 118.69 1vkh h LEU 135 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1vkh h LEU 135 Cb 0.63 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1vkh h LEU 135 CO 0.04 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.43 1vkh n GLN 136 N -4.31 0.19 0.00 1.13 6.02 -0.43 -1.23 117.38 118.75 1vkh n GLN 136 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1vkh n GLN 136 Cb 0.14 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1vkh n GLN 136 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1vkh n LEU 138 N 0.97 0.00 -0.34 1.08 7.94 -0.15 -1.24 117.00 125.26 1vkh n LEU 138 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1vkh n LEU 138 Cb 0.10 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.14 1vkh n LEU 138 CO 0.00 0.00 1.22 1.23 -1.11 0.00 0.00 177.39 178.73 1vkh h GLY 139 N 0.00 1.31 1.23 -3.96 0.00 -1.44 -2.19 103.07 98.02 1vkh h GLY 139 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 47.33 46.59 1vkh h GLY 139 CO 0.00 0.52 -0.68 1.41 0.00 0.00 0.00 176.54 177.79 1vkh h LEU 140 N 1.24 0.90 -1.37 3.11 3.38 -1.45 -2.91 115.31 118.21 1vkh h LEU 140 Ca 0.33 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.89 1vkh h LEU 140 Cb -0.07 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 1vkh h LEU 140 CO -0.06 1.34 0.55 -0.07 0.09 0.00 0.00 178.44 180.28 1vkh h LEU 141 N 0.56 0.58 -1.89 1.67 3.38 -1.77 -0.34 115.31 117.50 1vkh h LEU 141 Ca -0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1vkh h LEU 141 Cb 1.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1vkh h LEU 141 CO 0.14 0.30 -0.09 1.56 0.09 0.00 0.00 178.44 180.44 1vkh h GLN 142 N 0.62 0.00 -0.00 1.13 4.20 -1.19 -3.22 115.11 116.64 1vkh h GLN 142 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1vkh h GLN 142 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1vkh h GLN 142 CO -0.17 0.09 -0.13 0.44 -0.67 0.00 0.00 178.83 178.39 1vkh n ILE 143 N -3.41 0.00 -2.49 2.54 -5.35 -0.26 -5.02 119.36 105.36 1vkh n ILE 143 Ca -0.01 -0.44 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1vkh n ILE 143 Cb 0.25 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.18 1vkh n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1vkh s VAL 144 N -1.01 4.17 -0.22 7.28 1.01 -0.47 -1.49 120.40 129.68 1vkh s VAL 144 Ca 0.04 1.60 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1vkh s VAL 144 Cb 0.04 -4.02 -0.21 0.00 0.00 0.00 0.00 36.38 32.19 1vkh s VAL 144 CO 0.15 0.15 -0.03 0.29 0.00 0.00 0.00 175.10 175.65 1vkh n LYS 145 N 3.68 0.67 -3.70 2.72 5.02 0.12 -4.65 118.16 122.03 1vkh n LYS 145 Ca 0.07 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 1vkh n LYS 145 Cb 0.47 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.86 1vkh n LYS 145 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vkh s ARG 146 N -2.52 0.85 0.08 1.97 0.52 -1.23 -1.81 118.95 116.80 1vkh s ARG 146 Ca -0.24 -0.31 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1vkh s ARG 146 Cb 0.08 0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.89 1vkh s ARG 146 CO 0.70 -0.27 -0.16 0.14 0.02 0.00 0.00 175.30 175.73 1vkh s VAL 147 N -2.13 1.29 -0.25 3.52 -7.23 0.14 -4.32 120.40 111.42 1vkh s VAL 147 Ca -0.08 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1vkh s VAL 147 Cb -0.02 -1.21 0.07 0.00 0.56 0.00 0.00 36.38 35.78 1vkh s VAL 147 CO -0.00 -0.15 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.24 1vkh s PHE 148 N -1.20 2.40 -0.39 2.82 0.40 -1.26 -0.92 117.98 119.84 1vkh s PHE 148 Ca 0.01 -1.81 -0.10 0.00 -0.60 0.00 0.00 56.93 54.42 1vkh s PHE 148 Cb -0.10 -1.66 0.05 0.00 0.51 0.00 0.00 43.02 41.82 1vkh s PHE 148 CO 0.03 -0.79 0.22 -0.51 0.70 0.00 0.00 175.22 174.86 1vkh s LEU 149 N 1.39 4.83 -0.36 -0.37 1.43 0.24 -1.81 118.68 124.03 1vkh s LEU 149 Ca -0.04 -1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 51.78 1vkh s LEU 149 Cb -0.19 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1vkh s LEU 149 CO -0.08 -0.43 0.20 -0.76 0.23 0.00 0.00 176.35 175.51 1vkh s LEU 150 N 1.50 4.62 -1.29 1.79 1.43 0.69 -0.89 118.68 126.52 1vkh s LEU 150 Ca 0.02 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 1vkh s LEU 150 Cb -0.20 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1vkh s LEU 150 CO 0.05 -0.35 0.58 0.47 0.23 0.00 0.00 176.35 177.33 1vkh n ASP 151 N 5.00 -2.45 -4.90 2.29 9.92 -0.14 -1.15 116.55 125.12 1vkh n ASP 151 Ca -0.12 -1.04 -0.28 0.00 -0.53 0.00 0.00 54.79 52.82 1vkh n ASP 151 Cb 0.47 -3.06 0.04 0.00 -0.64 0.00 0.00 41.12 37.93 1vkh n ASP 151 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1vkh s GLY 152 N -3.97 1.62 -0.25 0.44 0.00 -1.26 -2.51 107.32 101.38 1vkh s GLY 152 Ca 0.22 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 1vkh s GLY 152 CO 0.89 -0.21 0.04 -0.42 0.00 0.00 0.00 173.10 173.40 1vkh s ILE 153 N -3.19 3.93 -0.10 0.90 1.01 -1.24 -4.78 121.20 117.74 1vkh s ILE 153 Ca 0.56 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1vkh s ILE 153 Cb -0.11 -2.89 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 1vkh s ILE 153 CO 0.48 0.28 -0.04 -1.22 0.00 0.00 0.00 174.94 174.45 1vkh n TYR 154 N 4.87 0.00 -4.04 3.97 4.01 -1.26 -4.10 117.16 120.61 1vkh n TYR 154 Ca -0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.25 1vkh n TYR 154 Cb 0.50 -0.44 -0.15 0.00 -0.31 0.00 0.00 39.34 38.94 1vkh n TYR 154 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vkh s SER 155 N -4.60 4.54 0.28 7.72 0.15 -1.26 -4.37 113.70 116.15 1vkh s SER 155 Ca -0.10 -1.43 -0.02 0.00 0.70 0.00 0.00 55.95 55.10 1vkh s SER 155 Cb 0.03 -1.58 0.39 0.00 -1.71 0.00 0.00 66.02 63.16 1vkh s SER 155 CO 0.31 -0.21 1.86 -0.07 1.20 0.00 0.00 173.24 176.33 1vkh h LEU 156 N 7.79 0.85 -0.42 3.45 -0.00 -1.93 -1.73 115.31 123.33 1vkh h LEU 156 Ca -0.18 -0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1vkh h LEU 156 Cb 1.04 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 1vkh h LEU 156 CO 0.48 0.76 0.26 0.50 -0.00 0.00 0.00 178.44 180.43 1vkh h LYS 157 N 0.92 0.57 0.00 1.13 3.64 -1.93 -1.59 116.57 119.31 1vkh h LYS 157 Ca 0.22 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1vkh h LYS 157 Cb 0.16 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1vkh h LYS 157 CO -0.02 0.42 -0.59 0.93 -2.27 0.00 0.00 179.45 177.91 1vkh h GLU 158 N 0.56 0.00 -0.41 1.90 4.39 -1.97 -2.43 114.58 116.62 1vkh h GLU 158 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1vkh h GLU 158 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1vkh h GLU 158 CO -0.03 0.59 0.21 1.25 -1.16 0.00 0.00 179.01 179.88 1vkh h LEU 159 N 0.00 0.52 -0.84 1.33 5.85 -0.85 -1.75 115.31 119.57 1vkh h LEU 159 Ca -0.01 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1vkh h LEU 159 Cb 1.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1vkh h LEU 159 CO 0.08 0.48 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.16 1vkh h LEU 160 N 0.52 0.00 -0.31 2.25 -0.00 -1.17 0.26 115.31 116.86 1vkh h LEU 160 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1vkh h LEU 160 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1vkh h LEU 160 CO -0.02 0.43 -0.03 0.40 -0.00 0.00 0.00 178.44 179.22 1vkh h ILE 161 N 0.00 1.27 -0.18 1.22 2.04 -1.33 -2.75 117.51 117.77 1vkh h ILE 161 Ca -0.00 -1.01 -0.21 0.00 1.00 0.00 0.00 64.86 64.63 1vkh h ILE 161 Cb 0.97 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1vkh h ILE 161 CO 0.06 0.33 -0.71 -0.08 0.00 0.00 0.00 178.15 177.74 1vkh h GLU 162 N 0.35 0.77 -2.31 2.37 4.81 -1.06 -3.39 114.58 116.12 1vkh h GLU 162 Ca 0.08 -0.59 -0.59 0.00 -0.13 0.00 0.00 59.36 58.14 1vkh h GLU 162 Cb 0.49 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 29.58 1vkh h GLU 162 CO 0.02 1.20 -0.90 0.66 -0.73 0.00 0.00 179.01 179.26 1vkh n TYR 163 N -3.94 0.67 -0.27 0.92 4.01 0.88 -4.95 117.16 114.48 1vkh n TYR 163 Ca -0.06 -3.69 0.18 0.00 -0.16 0.00 0.00 57.90 54.17 1vkh n TYR 163 Cb 0.71 -0.23 0.48 0.00 -0.31 0.00 0.00 39.34 39.99 1vkh n TYR 163 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1vkh h PRO 164 N 4.75 0.46 0.00 -0.72 0.11 -1.70 0.40 132.00 135.31 1vkh h PRO 164 Ca 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1vkh h PRO 164 Cb 0.83 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1vkh h PRO 164 CO 0.53 0.31 -0.00 1.05 -0.21 0.00 0.00 178.00 179.68 1vkh h GLU 165 N 0.48 0.00 0.00 1.05 9.09 -1.92 -1.67 114.58 121.61 1vkh h GLU 165 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1vkh h GLU 165 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1vkh h GLU 165 CO -0.22 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.50 1vkh n TYR 166 N -3.82 0.00 -0.22 2.06 4.01 0.13 -2.76 117.16 116.56 1vkh n TYR 166 Ca -0.03 0.00 0.29 0.00 -0.16 0.00 0.00 57.90 58.00 1vkh n TYR 166 Cb 0.08 -0.26 0.70 0.00 -0.31 0.00 0.00 39.34 39.56 1vkh n TYR 166 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1vkh h ASP 167 N 0.00 0.05 -0.70 7.72 3.58 -1.44 -1.09 116.42 124.55 1vkh h ASP 167 Ca 0.00 0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.54 1vkh h ASP 167 Cb 0.17 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1vkh h ASP 167 CO 0.00 0.02 0.46 0.00 -2.88 0.00 0.00 179.24 176.83 1vkh n PHE 169 N -4.48 0.32 0.15 0.00 1.16 -0.69 -4.47 117.46 109.45 1vkh n PHE 169 Ca 0.11 0.08 0.02 0.00 -1.87 0.00 0.00 57.45 55.79 1vkh n PHE 169 Cb 0.29 -1.05 0.34 0.00 -1.61 0.00 0.00 39.48 37.45 1vkh n PHE 169 CO 0.00 0.00 0.00 1.79 -1.87 0.00 0.00 176.76 176.68 1vkh h THR 170 N 0.01 1.25 0.00 1.97 1.35 -1.12 -1.63 112.91 114.75 1vkh h THR 170 Ca -0.51 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1vkh h THR 170 Cb 2.03 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1vkh h THR 170 CO -0.01 0.35 0.00 0.08 -0.25 0.00 0.00 175.52 175.69 1vkh h ARG 171 N 0.09 0.00 0.10 4.72 0.11 -1.39 0.19 114.38 118.20 1vkh h ARG 171 Ca 0.01 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.87 1vkh h ARG 171 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1vkh h ARG 171 CO 0.05 0.00 -1.07 -0.07 0.10 0.00 0.00 179.97 178.98 1vkh h LEU 172 N 0.00 0.34 -0.53 0.08 3.38 -1.53 -3.12 115.31 113.93 1vkh h LEU 172 Ca 0.00 -0.87 -0.11 0.00 0.09 0.00 0.00 57.88 56.98 1vkh h LEU 172 Cb 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1vkh h LEU 172 CO 0.00 1.47 -0.55 0.00 0.09 0.00 0.00 178.44 179.46 1vkh h ALA 173 N -0.04 0.81 -2.16 1.53 0.00 -1.31 -3.37 119.26 114.72 1vkh h ALA 173 Ca -0.23 -0.50 -0.59 0.00 0.00 0.00 0.00 54.91 53.60 1vkh h ALA 173 Cb 1.61 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.90 1vkh h ALA 173 CO 0.06 0.68 -0.72 1.19 0.00 0.00 0.00 179.25 180.46 1vkh n PHE 174 N -3.47 2.86 0.34 0.00 3.72 0.65 -0.91 117.46 120.64 1vkh n PHE 174 Ca 0.00 -4.01 0.10 0.00 -0.05 0.00 0.00 57.45 53.49 1vkh n PHE 174 Cb 0.65 -0.50 0.45 0.00 -0.94 0.00 0.00 39.48 39.14 1vkh n PHE 174 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1vkh n PRO 175 N 0.74 0.14 -0.33 -1.08 -0.04 -1.18 -1.46 135.00 131.79 1vkh n PRO 175 Ca 0.28 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.29 1vkh n PRO 175 Cb 0.44 -1.81 0.27 0.00 -0.04 0.00 0.00 33.50 32.35 1vkh n PRO 175 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vkh n ASP 176 N -2.09 3.67 0.00 3.54 8.00 -1.26 -5.04 116.55 123.37 1vkh n ASP 176 Ca 0.01 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1vkh n ASP 176 Cb 0.16 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1vkh n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vkh n GLY 177 N 1.17 2.93 0.08 0.44 0.00 -0.54 -4.81 105.19 104.47 1vkh n GLY 177 Ca 0.20 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.66 1vkh n GLY 177 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vkh n ILE 178 N 0.50 0.96 -0.23 -0.61 -5.35 -1.26 -4.46 119.36 108.91 1vkh n ILE 178 Ca 0.00 0.28 -0.03 0.00 -0.27 0.00 0.00 62.75 62.73 1vkh n ILE 178 Cb 0.00 -1.16 -0.03 0.00 -1.74 0.00 0.00 39.64 36.71 1vkh n ILE 178 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vkh n GLN 179 N -1.95 0.48 -1.71 6.28 0.00 -1.26 -4.86 117.38 114.37 1vkh n GLN 179 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 57.00 56.71 1vkh n GLN 179 Cb 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 28.74 1vkh n GLN 179 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1vkh n TYR 181 N 3.15 -0.70 1.37 2.61 9.36 -1.26 -5.07 117.16 126.62 1vkh n TYR 181 Ca 0.10 0.42 0.14 0.00 3.32 0.00 0.00 57.90 61.89 1vkh n TYR 181 Cb 0.18 -1.07 0.64 0.00 -0.63 0.00 0.00 39.34 38.45 1vkh n TYR 181 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1vkh n GLU 182 N 1.68 0.54 -2.08 2.98 1.02 -1.26 -4.34 120.64 119.17 1vkh n GLU 182 Ca 0.00 -0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 56.76 1vkh n GLU 182 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1vkh n GLU 182 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1vkh n GLU 183 N -1.11 3.57 -1.74 3.49 4.71 -1.26 -4.76 120.64 123.53 1vkh n GLU 183 Ca 0.13 -4.20 -0.42 0.00 -0.01 0.00 0.00 57.16 52.67 1vkh n GLU 183 Cb 0.27 -2.27 -0.03 0.00 -1.01 0.00 0.00 31.44 28.41 1vkh n GLU 183 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1vkh s GLU 184 N -3.60 4.14 0.27 3.49 0.41 -1.26 -4.85 118.70 117.30 1vkh s GLU 184 Ca 0.50 2.58 -0.01 0.00 -0.41 0.00 0.00 54.97 57.63 1vkh s GLU 184 Cb 0.41 -3.27 0.59 0.00 -1.78 0.00 0.00 34.13 30.07 1vkh s GLU 184 CO 0.01 -0.77 1.69 -1.35 -0.49 0.00 0.00 175.26 174.35 1vkh h PRO 185 N 7.45 0.32 0.00 0.39 0.11 -1.96 0.66 132.00 138.98 1vkh h PRO 185 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vkh h PRO 185 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vkh h PRO 185 CO 0.95 0.21 0.00 0.66 -0.21 0.00 0.00 178.00 179.61 1vkh h SER 186 N 0.33 0.00 0.08 -2.05 4.64 -1.97 -2.96 113.55 111.62 1vkh h SER 186 Ca 0.48 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.43 1vkh h SER 186 Cb 0.87 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 1vkh h SER 186 CO -0.52 0.00 -2.23 -1.14 -0.87 0.00 0.00 176.83 172.06 1vkh n ARG 187 N -2.81 0.70 -3.49 4.77 0.63 0.10 -4.98 116.66 111.57 1vkh n ARG 187 Ca 0.00 0.19 -0.41 0.00 -0.92 0.00 0.00 57.85 56.72 1vkh n ARG 187 Cb 0.23 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 1vkh n ARG 187 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1vkh s VAL 188 N -2.54 5.13 0.00 5.15 -7.23 -0.44 -4.88 120.40 115.59 1vkh s VAL 188 Ca -0.26 -3.56 0.00 0.00 -1.81 0.00 0.00 61.98 56.35 1vkh s VAL 188 Cb 0.08 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1vkh s VAL 188 CO 0.70 -1.12 0.00 -2.65 -0.31 0.00 0.00 175.10 171.72 1vkh n PRO 190 N 2.63 0.00 0.11 4.82 -0.02 -1.26 -1.67 135.00 139.62 1vkh n PRO 190 Ca 0.21 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.51 1vkh n PRO 190 Cb 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.73 1vkh n PRO 190 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1vkh h TYR 191 N 0.00 0.64 -0.57 6.00 0.05 -1.92 -2.60 116.97 118.56 1vkh h TYR 191 Ca 0.00 -0.46 -0.07 0.00 0.05 0.00 0.00 58.73 58.25 1vkh h TYR 191 Cb 0.00 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1vkh h TYR 191 CO 0.00 1.35 0.10 0.28 -1.05 0.00 0.00 178.16 178.84 1vkh h VAL 192 N 0.11 1.26 -0.48 -2.88 2.07 -1.46 -1.49 116.25 113.37 1vkh h VAL 192 Ca -0.17 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.47 1vkh h VAL 192 Cb 2.01 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1vkh h VAL 192 CO 0.22 0.35 0.09 0.50 0.02 0.00 0.00 177.57 178.76 1vkh h LYS 193 N 0.85 0.22 -0.63 1.57 3.64 -1.82 -1.14 116.57 119.26 1vkh h LYS 193 Ca 0.18 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1vkh h LYS 193 Cb 0.41 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1vkh h LYS 193 CO 0.01 0.14 0.42 0.87 -2.27 0.00 0.00 179.45 178.62 1vkh h LYS 194 N 0.23 0.82 -0.07 1.90 1.57 -1.13 -2.50 116.57 117.39 1vkh h LYS 194 Ca 0.24 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1vkh h LYS 194 Cb 0.32 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1vkh h LYS 194 CO -0.32 0.54 0.01 0.00 -0.57 0.00 0.00 179.45 179.11 1vkh h ALA 195 N 1.23 0.09 -0.83 3.86 0.00 -0.67 0.68 119.26 123.61 1vkh h ALA 195 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1vkh h ALA 195 Cb -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1vkh h ALA 195 CO -0.05 -0.26 0.54 -0.07 0.00 0.00 0.00 179.25 179.41 1vkh h LEU 196 N -0.14 0.92 -0.08 0.00 4.07 -1.19 -1.17 115.31 117.71 1vkh h LEU 196 Ca 0.02 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1vkh h LEU 196 Cb 0.29 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1vkh h LEU 196 CO 0.00 0.64 -0.22 -1.28 -1.08 0.00 0.00 178.44 176.50 1vkh h SER 197 N 1.08 0.34 -0.92 -0.43 0.87 -1.36 -1.00 113.55 112.12 1vkh h SER 197 Ca 0.32 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1vkh h SER 197 Cb -0.05 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 1vkh h SER 197 CO -0.10 0.87 0.56 -0.09 -0.53 0.00 0.00 176.83 177.54 1vkh h ARG 198 N -0.18 1.26 -0.26 2.24 2.43 -0.74 -3.09 114.38 116.03 1vkh h ARG 198 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1vkh h ARG 198 Cb 0.83 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1vkh h ARG 198 CO 0.05 0.88 0.00 1.19 -1.51 0.00 0.00 179.97 180.58 1vkh n PHE 199 N -4.36 0.33 -3.71 2.20 3.72 -0.45 -5.01 117.46 110.19 1vkh n PHE 199 Ca 0.10 -0.25 -0.31 0.00 -0.05 0.00 0.00 57.45 56.95 1vkh n PHE 199 Cb 0.06 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1vkh n PHE 199 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vkh n SER 200 N 0.94 -5.29 -4.67 4.37 2.88 -0.63 -4.90 113.62 106.32 1vkh n SER 200 Ca 0.13 -0.99 -0.35 0.00 -1.33 0.00 0.00 58.87 56.33 1vkh n SER 200 Cb 0.45 -3.05 -0.09 0.00 -0.75 0.00 0.00 64.21 60.77 1vkh n SER 200 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1vkh s ILE 201 N -3.38 5.15 0.09 2.46 1.01 -0.48 -4.77 121.20 121.28 1vkh s ILE 201 Ca 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.14 1vkh s ILE 201 Cb -0.15 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1vkh s ILE 201 CO 0.88 0.42 0.12 0.47 0.00 0.00 0.00 174.94 176.83 1vkh n ASP 202 N 3.75 0.16 0.00 3.58 8.00 -0.75 -4.81 116.55 126.48 1vkh n ASP 202 Ca -0.16 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1vkh n ASP 202 Cb 0.52 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1vkh n ASP 202 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1vkh n HIS 204 N -1.55 0.00 -4.18 1.24 8.25 -0.10 -0.68 115.22 118.20 1vkh n HIS 204 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1vkh n HIS 204 Cb 0.07 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 1vkh n HIS 204 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1vkh s LEU 205 N 0.00 3.33 -0.03 2.41 1.43 0.27 -0.59 118.68 125.50 1vkh s LEU 205 Ca 0.00 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 1vkh s LEU 205 Cb 0.00 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1vkh s LEU 205 CO 0.00 0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 175.85 1vkh s VAL 206 N 0.69 1.26 0.01 -1.59 1.01 -0.07 -0.91 120.40 120.80 1vkh s VAL 206 Ca -0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1vkh s VAL 206 Cb -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1vkh s VAL 206 CO 0.02 0.37 0.03 -2.28 0.00 0.00 0.00 175.10 173.23 1vkh s HIS 207 N -0.06 0.18 -0.17 5.22 5.04 -0.92 -0.96 115.29 123.62 1vkh s HIS 207 Ca -0.01 -0.38 -0.15 0.00 -1.54 0.00 0.00 55.06 52.99 1vkh s HIS 207 Cb -0.09 -0.14 -0.04 0.00 0.04 0.00 0.00 32.58 32.35 1vkh s HIS 207 CO 0.01 -0.21 0.33 0.45 -2.34 0.00 0.00 174.74 172.98 1vkh s SER 208 N -1.37 6.45 0.56 9.88 0.15 -1.26 -3.07 113.70 125.05 1vkh s SER 208 Ca -0.15 0.53 0.25 0.00 0.70 0.00 0.00 55.95 57.28 1vkh s SER 208 Cb -0.09 -2.20 1.55 0.00 -1.71 0.00 0.00 66.02 63.57 1vkh s SER 208 CO -0.00 0.05 2.13 1.88 1.20 0.00 0.00 173.24 178.50 1vkh h TYR 209 N 6.86 0.00 -0.02 3.44 0.05 -1.34 -2.25 116.97 123.71 1vkh h TYR 209 Ca -0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1vkh h TYR 209 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1vkh h TYR 209 CO 0.62 0.00 0.00 0.43 -1.05 0.00 0.00 178.16 178.16 1vkh n SER 210 N -4.10 1.11 -4.64 3.88 7.64 -1.26 -4.92 113.62 111.34 1vkh n SER 210 Ca 0.01 -1.39 -0.42 0.00 1.01 0.00 0.00 58.87 58.07 1vkh n SER 210 Cb 0.26 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 1vkh n SER 210 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vkh s ASP 211 N -1.96 6.22 0.15 6.43 -1.08 -0.85 -4.21 116.67 121.36 1vkh s ASP 211 Ca 0.40 2.39 0.25 0.00 -0.52 0.00 0.00 52.55 55.06 1vkh s ASP 211 Cb 0.21 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.63 1vkh s ASP 211 CO 0.33 -1.28 1.46 -1.84 0.52 0.00 0.00 175.17 174.36 1vkh n GLU 212 N 7.82 0.28 -0.07 4.34 0.00 -1.26 -4.17 120.64 127.58 1vkh n GLU 212 Ca 0.22 0.13 -0.04 0.00 0.00 0.00 0.00 57.16 57.46 1vkh n GLU 212 Cb 0.42 -1.72 -0.15 0.00 0.00 0.00 0.00 31.44 30.00 1vkh n GLU 212 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1vkh n LEU 213 N -2.15 0.00 -3.86 -1.84 4.77 -1.26 -4.86 117.00 107.79 1vkh n LEU 213 Ca 0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 1vkh n LEU 213 Cb 0.44 0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.70 1vkh n LEU 213 CO 0.34 0.34 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.57 1vkh s LEU 214 N -5.10 1.20 1.35 2.23 1.43 -1.26 -5.11 118.68 113.42 1vkh s LEU 214 Ca -0.09 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.38 1vkh s LEU 214 Cb 0.07 -0.77 0.34 0.00 0.03 0.00 0.00 46.19 45.86 1vkh s LEU 214 CO 0.76 -0.17 1.00 0.42 0.23 0.00 0.00 176.35 178.59 1vkh s THR 215 N 1.75 1.34 -2.00 5.49 -4.23 -1.26 -4.64 115.64 112.09 1vkh s THR 215 Ca 0.03 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 1vkh s THR 215 Cb -0.14 -2.24 0.44 0.00 1.34 0.00 0.00 72.50 71.90 1vkh s THR 215 CO -0.07 0.00 1.34 0.18 -0.54 0.00 0.00 174.62 175.52 1vkh n LEU 216 N -5.32 0.00 -0.11 4.79 4.77 -1.26 -4.04 117.00 115.83 1vkh n LEU 216 Ca 0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1vkh n LEU 216 Cb 0.60 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1vkh n LEU 216 CO 0.43 0.00 0.90 -0.09 -1.33 0.00 0.00 177.39 177.30 1vkh h ARG 217 N 0.00 0.51 -0.26 3.23 2.43 -1.98 0.78 114.38 119.07 1vkh h ARG 217 Ca 0.00 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1vkh h ARG 217 Cb 0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1vkh h ARG 217 CO 0.00 0.51 0.09 1.96 -1.51 0.00 0.00 179.97 181.01 1vkh h GLN 218 N 0.40 0.20 0.10 0.20 1.08 -1.92 0.10 115.11 115.27 1vkh h GLN 218 Ca 0.11 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1vkh h GLN 218 Cb 0.19 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1vkh h GLN 218 CO -0.01 0.13 -0.17 1.15 -0.95 0.00 0.00 178.83 178.98 1vkh h THR 219 N 0.20 0.62 -0.44 -0.54 2.02 -1.75 -1.28 112.91 111.73 1vkh h THR 219 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1vkh h THR 219 Cb 0.09 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1vkh h THR 219 CO -0.13 0.00 -0.01 0.78 0.37 0.00 0.00 175.52 176.54 1vkh h ASN 220 N -0.33 0.69 -0.59 4.18 2.35 -0.62 0.38 115.58 121.64 1vkh h ASN 220 Ca 0.02 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1vkh h ASN 220 Cb 0.34 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1vkh h ASN 220 CO -0.09 0.76 0.25 0.00 -1.65 0.00 0.00 177.43 176.70 1vkh h LEU 222 N 0.81 0.46 -0.78 0.00 5.85 -0.80 -2.66 115.31 118.19 1vkh h LEU 222 Ca 0.20 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1vkh h LEU 222 Cb 0.18 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1vkh h LEU 222 CO -0.02 0.41 0.43 0.40 -0.34 0.00 0.00 178.44 179.32 1vkh h ILE 223 N 0.48 1.23 -0.92 4.05 2.04 -0.72 0.15 117.51 123.83 1vkh h ILE 223 Ca 0.13 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1vkh h ILE 223 Cb 0.04 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 1vkh h ILE 223 CO -0.02 0.26 0.61 -1.28 0.00 0.00 0.00 178.15 177.71 1vkh h SER 224 N 1.09 1.06 -0.31 1.72 0.87 -0.83 -0.54 113.55 116.61 1vkh h SER 224 Ca 0.28 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 1vkh h SER 224 Cb 0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1vkh h SER 224 CO -0.04 0.77 -0.24 0.00 -0.53 0.00 0.00 176.83 176.78 1vkh h LEU 226 N 0.47 0.69 -0.55 0.00 3.38 -0.39 -1.85 115.31 117.06 1vkh h LEU 226 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1vkh h LEU 226 Cb 0.80 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1vkh h LEU 226 CO 0.06 0.48 0.29 1.56 0.09 0.00 0.00 178.44 180.92 1vkh h GLN 227 N 0.83 0.78 -0.20 1.13 4.20 -1.03 -0.46 115.11 120.35 1vkh h GLN 227 Ca 0.28 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 1vkh h GLN 227 Cb 0.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1vkh h GLN 227 CO -0.11 0.62 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.13 1vkh h ASP 228 N 0.74 0.30 -0.22 1.46 3.32 -0.83 -2.11 116.42 119.08 1vkh h ASP 228 Ca 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1vkh h ASP 228 Cb 0.08 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vkh h ASP 228 CO -0.03 0.43 0.00 -1.22 -1.72 0.00 0.00 179.24 176.70 1vkh n TYR 229 N -4.28 0.28 -3.67 4.55 4.02 -0.74 -4.97 117.16 112.35 1vkh n TYR 229 Ca -0.00 -0.14 -0.23 0.00 -0.01 0.00 0.00 57.90 57.52 1vkh n TYR 229 Cb 0.26 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.63 1vkh n TYR 229 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1vkh n GLN 230 N 1.08 -5.97 -3.07 -0.72 6.02 -0.41 -4.98 117.38 109.33 1vkh n GLN 230 Ca 0.17 0.70 -0.39 0.00 -0.01 0.00 0.00 57.00 57.47 1vkh n GLN 230 Cb 0.52 -5.53 -0.05 0.00 1.02 0.00 0.00 30.24 26.20 1vkh n GLN 230 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vkh s LEU 231 N -6.84 4.37 0.30 1.08 1.02 -0.32 -5.03 118.68 113.26 1vkh s LEU 231 Ca 0.24 1.23 -0.29 0.00 0.02 0.00 0.00 54.13 55.33 1vkh s LEU 231 Cb -0.12 -3.07 -0.10 0.00 0.02 0.00 0.00 46.19 42.92 1vkh s LEU 231 CO 0.78 -0.03 1.29 -0.55 0.02 0.00 0.00 176.35 177.86 1vkh s SER 232 N 0.38 6.84 0.28 2.29 0.15 -1.26 -4.71 113.70 117.67 1vkh s SER 232 Ca 0.36 2.60 -0.19 0.00 0.70 0.00 0.00 55.95 59.42 1vkh s SER 232 Cb -0.18 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.50 1vkh s SER 232 CO 0.19 -0.50 0.69 0.72 1.20 0.00 0.00 173.24 175.54 1vkh s PHE 233 N -0.92 -0.08 0.03 3.44 -0.71 -1.26 -5.03 117.98 113.45 1vkh s PHE 233 Ca 0.50 -0.38 0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1vkh s PHE 233 Cb -0.39 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1vkh s PHE 233 CO 0.49 -1.22 -0.23 0.15 -1.34 0.00 0.00 175.22 173.06 1vkh s LYS 234 N -3.83 1.63 0.03 1.99 1.02 -1.26 -5.04 119.74 114.28 1vkh s LYS 234 Ca 0.13 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.19 1vkh s LYS 234 Cb -0.05 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1vkh s LYS 234 CO 0.08 0.45 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.62 1vkh s LEU 235 N -1.10 2.14 -0.09 3.17 2.96 -1.26 -0.57 118.68 123.93 1vkh s LEU 235 Ca 0.09 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1vkh s LEU 235 Cb -0.09 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.85 1vkh s LEU 235 CO 0.01 0.12 0.01 -0.47 -1.32 0.00 0.00 176.35 174.70 1vkh s TYR 236 N -0.71 0.68 -0.08 5.38 5.04 -0.09 -4.97 117.35 122.61 1vkh s TYR 236 Ca 0.05 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.45 1vkh s TYR 236 Cb -0.08 -0.82 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 1vkh s TYR 236 CO 0.01 -0.38 -0.21 -0.51 -1.34 0.00 0.00 175.55 173.12 1vkh s LEU 237 N 1.97 2.29 0.34 6.97 1.43 -1.26 -2.17 118.68 128.24 1vkh s LEU 237 Ca 0.04 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 1vkh s LEU 237 Cb -0.13 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1vkh s LEU 237 CO -0.06 0.23 0.79 -0.62 0.23 0.00 0.00 176.35 176.92 1vkh s ASP 238 N -0.05 -0.08 -0.65 2.29 -1.08 -1.17 -5.01 116.67 110.91 1vkh s ASP 238 Ca -0.06 -0.93 -0.23 0.00 -0.52 0.00 0.00 52.55 50.81 1vkh s ASP 238 Cb -0.15 0.79 0.07 0.00 -1.46 0.00 0.00 42.92 42.17 1vkh s ASP 238 CO 0.05 -1.53 0.96 -0.62 0.52 0.00 0.00 175.17 174.54 1vkh s ASP 239 N -3.04 6.18 -0.10 -0.34 2.15 -1.26 -0.92 116.67 119.34 1vkh s ASP 239 Ca 0.14 -0.98 0.14 0.00 0.43 0.00 0.00 52.55 52.28 1vkh s ASP 239 Cb -0.05 -2.42 0.39 0.00 -0.30 0.00 0.00 42.92 40.54 1vkh s ASP 239 CO 0.09 -1.43 1.30 0.18 -0.17 0.00 0.00 175.17 175.15 1vkh n LEU 240 N 7.67 3.24 0.00 -1.34 4.77 -1.26 -4.97 117.00 125.11 1vkh n LEU 240 Ca -0.04 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 1vkh n LEU 240 Cb 0.45 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1vkh n LEU 240 CO 0.64 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 1vkh n GLY 241 N -0.33 -1.99 3.70 -0.72 0.00 -1.26 -3.73 105.19 100.86 1vkh n GLY 241 Ca 0.16 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1vkh n GLY 241 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vkh s LEU 242 N 0.00 2.54 0.24 0.99 1.43 -1.26 -3.01 118.68 119.61 1vkh s LEU 242 Ca 0.00 1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 1vkh s LEU 242 Cb 0.00 -4.24 0.30 0.00 0.03 0.00 0.00 46.19 42.28 1vkh s LEU 242 CO 0.00 -2.69 1.58 -0.74 0.23 0.00 0.00 176.35 174.72 1vkh h HIS 243 N -1.58 -0.70 -0.08 0.29 -0.00 -1.90 0.46 115.15 111.64 1vkh h HIS 243 Ca -0.47 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1vkh h HIS 243 Cb 1.27 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 29.11 1vkh h HIS 243 CO 0.48 -0.39 0.00 0.09 -0.00 0.00 0.00 177.93 178.12 1vkh n ASN 244 N -5.52 0.90 0.07 3.26 3.02 -1.26 -3.16 115.26 112.57 1vkh n ASN 244 Ca 0.11 -1.56 0.10 0.00 -0.03 0.00 0.00 54.58 53.20 1vkh n ASN 244 Cb 0.42 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.49 1vkh n ASN 244 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1vkh n ASP 245 N -0.20 0.71 -0.21 6.41 8.00 0.13 -4.53 116.55 126.85 1vkh n ASP 245 Ca 0.15 0.28 -0.07 0.00 0.71 0.00 0.00 54.79 55.87 1vkh n ASP 245 Cb 0.21 0.66 0.03 0.00 -0.02 0.00 0.00 41.12 42.01 1vkh n ASP 245 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1vkh h VAL 246 N 0.00 1.20 0.00 2.53 2.07 -1.45 -1.66 116.25 118.94 1vkh h VAL 246 Ca -0.03 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1vkh h VAL 246 Cb 1.09 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1vkh h VAL 246 CO 0.01 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1vkh n TYR 247 N -4.57 0.00 0.36 1.57 0.18 -1.26 -1.93 117.16 111.51 1vkh n TYR 247 Ca 0.04 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.86 1vkh n TYR 247 Cb 0.09 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.04 1vkh n TYR 247 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1vkh n LYS 248 N -0.93 2.87 -2.74 -3.48 5.02 -0.68 -4.29 118.16 113.92 1vkh n LYS 248 Ca 0.17 -0.38 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 1vkh n LYS 248 Cb 0.08 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 1vkh n LYS 248 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1vkh s ASN 249 N -1.33 7.31 0.52 4.39 3.84 -0.81 -4.51 114.94 124.35 1vkh s ASN 249 Ca 0.06 1.59 0.23 0.00 0.21 0.00 0.00 52.86 54.95 1vkh s ASN 249 Cb 0.06 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.63 1vkh s ASN 249 CO 0.23 -0.27 2.11 1.23 -2.79 0.00 0.00 177.10 177.62 1vkh h GLY 250 N 6.96 0.00 1.83 1.21 0.00 -1.91 -0.60 103.07 110.56 1vkh h GLY 250 Ca -0.40 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1vkh h GLY 250 CO 0.76 0.00 -0.74 0.50 0.00 0.00 0.00 176.54 177.07 1vkh h LYS 251 N 0.00 0.17 -0.31 4.80 1.57 -1.95 -2.02 116.57 118.83 1vkh h LYS 251 Ca -0.00 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 1vkh h LYS 251 Cb 0.20 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1vkh h LYS 251 CO 0.01 0.83 -0.39 0.28 -0.57 0.00 0.00 179.45 179.61 1vkh h VAL 252 N 0.11 1.29 -0.48 0.50 2.07 -1.47 -1.61 116.25 116.66 1vkh h VAL 252 Ca -0.02 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 65.96 1vkh h VAL 252 Cb 1.30 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1vkh h VAL 252 CO 0.11 0.51 0.26 0.00 0.02 0.00 0.00 177.57 178.47 1vkh h ALA 253 N 0.70 0.61 -0.56 1.67 0.00 -1.12 -1.55 119.26 119.02 1vkh h ALA 253 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1vkh h ALA 253 Cb 0.98 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1vkh h ALA 253 CO 0.09 -0.07 0.37 -0.22 0.00 0.00 0.00 179.25 179.43 1vkh h LYS 254 N 0.52 0.74 -0.08 0.00 3.64 -1.31 0.24 116.57 120.32 1vkh h LYS 254 Ca 0.20 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1vkh h LYS 254 Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1vkh h LYS 254 CO -0.12 0.49 0.04 -0.92 -2.27 0.00 0.00 179.45 176.67 1vkh h TYR 255 N 0.76 0.07 0.32 1.91 3.20 -0.83 0.67 116.97 123.08 1vkh h TYR 255 Ca 0.21 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1vkh h TYR 255 Cb -0.09 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1vkh h TYR 255 CO -0.04 0.04 -0.15 0.82 -1.64 0.00 0.00 178.16 177.19 1vkh h ILE 256 N 0.09 0.70 -0.37 1.81 2.04 -1.12 -2.41 117.51 118.24 1vkh h ILE 256 Ca 0.03 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1vkh h ILE 256 Cb 0.01 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1vkh h ILE 256 CO -0.03 0.04 -0.01 0.15 0.00 0.00 0.00 178.15 178.30 1vkh h PHE 257 N -0.53 -0.05 0.00 1.37 3.57 -0.85 -2.39 116.94 118.05 1vkh h PHE 257 Ca -0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1vkh h PHE 257 Cb 0.40 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1vkh h PHE 257 CO -0.03 -0.08 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.45 1vkh h ASP 258 N 0.09 0.00 -0.41 0.41 3.32 -0.81 -2.79 116.42 116.22 1vkh h ASP 258 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1vkh h ASP 258 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1vkh h ASP 258 CO -0.31 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 177.87 1vkh n ASN 259 N -3.67 3.49 -4.34 6.45 3.02 -0.91 -4.59 115.26 114.70 1vkh n ASN 259 Ca -0.02 -1.99 -0.46 0.00 -0.03 0.00 0.00 54.58 52.08 1vkh n ASN 259 Cb 0.18 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1vkh n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1vkh s ILE 260 N -1.42 5.43 0.00 2.41 1.01 -0.96 -5.06 121.20 122.61 1vkh s ILE 260 Ca 0.39 -2.18 0.00 0.00 0.00 0.00 0.00 60.65 58.86 1vkh s ILE 260 Cb 0.23 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1vkh s ILE 260 CO 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 174.94 174.19