#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkh n ASP 11 N 0.00 5.30 -0.18 3.54 2.03 -1.26 -4.79 116.55 121.19 1vkh n ASP 11 Ca 0.00 -3.11 -0.04 0.00 0.52 0.00 0.00 54.79 52.16 1vkh n ASP 11 Cb 0.00 -1.47 0.06 0.00 -0.72 0.00 0.00 41.12 38.99 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 3.91 0.95 -0.01 5.18 2.04 -2.05 -2.51 117.51 125.02 1vkh h ILE 12 Ca 0.34 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1vkh h ILE 12 Cb 0.69 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1vkh h ILE 12 CO 1.48 0.09 0.00 0.35 0.00 0.00 0.00 178.15 180.07 1vkh n THR 13 N -4.88 0.01 -2.53 -0.27 -2.24 -1.26 -4.88 114.28 98.23 1vkh n THR 13 Ca 0.05 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1vkh n THR 13 Cb 0.15 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.26 -1.96 -0.36 3.22 4.77 -0.94 -4.41 117.00 117.06 1vkh n LEU 14 Ca 0.21 -0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 1vkh n LEU 14 Cb 0.26 -1.82 0.29 0.00 -2.33 0.00 0.00 43.42 39.82 1vkh n LEU 14 CO 0.17 0.05 1.21 0.15 -1.33 0.00 0.00 177.39 177.64 1vkh h PHE 15 N -0.52 1.10 0.00 -1.77 3.57 -1.88 -2.52 116.94 114.93 1vkh h PHE 15 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1vkh h PHE 15 Cb 1.20 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1vkh h PHE 15 CO 0.28 0.33 0.00 0.09 -2.23 0.00 0.00 178.31 176.79 1vkh n ASN 16 N -4.70 0.00 -0.47 0.41 3.02 -1.26 -1.40 115.26 110.86 1vkh n ASN 16 Ca 0.21 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 55.25 1vkh n ASN 16 Cb 0.48 -0.41 0.40 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.41 1.48 -1.69 3.52 4.76 -0.95 -4.92 118.16 118.95 1vkh n LYS 17 Ca 0.03 -0.95 -0.44 0.00 -2.87 0.00 0.00 58.31 54.08 1vkh n LYS 17 Cb 0.09 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.76 1vkh n LYS 17 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1vkh n THR 18 N 0.06 0.01 -3.91 -0.18 -1.04 -0.50 -4.70 114.28 104.03 1vkh n THR 18 Ca 0.16 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.83 1vkh n THR 18 Cb 0.39 -1.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 1vkh n THR 18 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1vkh s LEU 19 N 1.11 4.36 -0.25 -4.42 1.43 -0.06 -4.95 118.68 115.90 1vkh s LEU 19 Ca 0.77 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1vkh s LEU 19 Cb -0.59 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 1vkh s LEU 19 CO 0.35 0.29 0.09 -0.89 0.23 0.00 0.00 176.35 176.42 1vkh s THR 20 N -1.28 4.50 -0.12 5.49 2.01 -1.26 -0.74 115.64 124.24 1vkh s THR 20 Ca 0.25 -0.11 0.19 0.00 0.31 0.00 0.00 61.69 62.33 1vkh s THR 20 Cb -0.13 -3.11 -0.23 0.00 0.01 0.00 0.00 72.50 69.05 1vkh s THR 20 CO 0.16 0.33 0.48 0.49 -0.69 0.00 0.00 174.62 175.40 1vkh n PHE 21 N 4.87 0.37 -3.19 4.92 3.72 0.06 -4.86 117.46 123.35 1vkh n PHE 21 Ca -0.16 0.12 0.01 0.00 -0.05 0.00 0.00 57.45 57.38 1vkh n PHE 21 Cb 0.52 -0.88 -0.02 0.00 -0.94 0.00 0.00 39.48 38.15 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 -2.97 0.53 0.68 -1.08 0.74 -0.93 -4.90 119.66 111.72 1vkh s GLN 22 Ca -0.07 0.79 -0.11 0.00 0.05 0.00 0.00 55.36 56.02 1vkh s GLN 22 Cb 0.09 0.29 -0.00 0.00 1.10 0.00 0.00 33.01 34.49 1vkh s GLN 22 CO 0.85 -0.74 1.06 -2.00 -0.55 0.00 0.00 175.29 173.90 1vkh s GLU 23 N 2.79 3.09 0.55 1.67 2.56 -1.26 -0.93 118.70 127.17 1vkh s GLU 23 Ca 0.17 0.74 -0.21 0.00 0.00 0.00 0.00 54.97 55.67 1vkh s GLU 23 Cb -0.14 -2.02 -0.05 0.00 2.00 0.00 0.00 34.13 33.91 1vkh s GLU 23 CO -0.22 -0.93 1.17 -0.89 -0.56 0.00 0.00 175.26 173.83 1vkh n ILE 24 N -2.99 3.67 -4.33 -3.70 5.41 -1.26 -4.74 119.36 111.41 1vkh n ILE 24 Ca 0.07 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.14 1vkh n ILE 24 Cb 0.55 -1.41 -0.09 0.00 -0.71 0.00 0.00 39.64 37.97 1vkh n ILE 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1vkh s SER 25 N -1.03 1.43 0.25 4.38 0.15 -1.26 -5.04 113.70 112.59 1vkh s SER 25 Ca 0.73 -1.50 -0.03 0.00 0.70 0.00 0.00 55.95 55.85 1vkh s SER 25 Cb -0.43 0.32 0.51 0.00 -1.71 0.00 0.00 66.02 64.70 1vkh s SER 25 CO 0.49 -0.84 1.73 1.56 1.20 0.00 0.00 173.24 177.38 1vkh h GLN 26 N 2.26 0.45 -0.01 5.44 7.50 -1.96 -2.97 115.11 125.82 1vkh h GLN 26 Ca -0.35 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.77 1vkh h GLN 26 Cb 1.25 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.68 1vkh h GLN 26 CO 0.55 0.30 -0.12 0.09 -1.50 0.00 0.00 178.83 178.15 1vkh n ASN 27 N -4.99 1.21 -4.71 1.46 3.02 -1.26 -4.96 115.26 105.04 1vkh n ASN 27 Ca 0.16 -1.17 -0.42 0.00 -0.03 0.00 0.00 54.58 53.12 1vkh n ASN 27 Cb 0.45 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1vkh n ASN 27 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vkh s THR 28 N -2.25 2.92 0.00 3.41 2.01 -1.12 -4.31 115.64 116.29 1vkh s THR 28 Ca 0.31 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1vkh s THR 28 Cb 0.20 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1vkh s THR 28 CO 0.43 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.94 1vkh n ARG 29 N 4.14 3.04 -4.18 4.92 1.74 0.61 -4.96 116.66 121.96 1vkh n ARG 29 Ca 0.13 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.03 1vkh n ARG 29 Cb 0.40 -0.99 -0.12 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.99 0.84 -0.05 5.56 0.41 -0.56 -4.84 118.70 118.08 1vkh s GLU 30 Ca 0.00 -0.96 0.05 0.00 -0.41 0.00 0.00 54.97 53.64 1vkh s GLU 30 Cb 0.00 -0.86 -0.02 0.00 -1.78 0.00 0.00 34.13 31.47 1vkh s GLU 30 CO 0.00 0.19 -0.18 0.00 -0.49 0.00 0.00 175.26 174.78 1vkh s ALA 31 N -1.26 2.48 -0.16 5.21 0.00 -1.26 -1.25 121.76 125.52 1vkh s ALA 31 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1vkh s ALA 31 Cb -0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1vkh s ALA 31 CO 0.02 0.50 -0.10 0.08 0.00 0.00 0.00 175.76 176.27 1vkh s VAL 32 N -0.53 3.17 -0.15 0.00 1.01 0.90 0.11 120.40 124.91 1vkh s VAL 32 Ca 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1vkh s VAL 32 Cb -0.11 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1vkh s VAL 32 CO 0.01 0.50 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 1vkh s ILE 33 N 0.69 1.89 -0.05 2.22 1.01 0.47 -1.43 121.20 126.00 1vkh s ILE 33 Ca -0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 1vkh s ILE 33 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 1vkh s ILE 33 CO 0.02 0.52 0.22 -0.31 0.00 0.00 0.00 174.94 175.38 1vkh s TYR 34 N 1.10 3.60 -0.20 3.97 2.02 0.03 -1.14 117.35 126.75 1vkh s TYR 34 Ca -0.01 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.26 1vkh s TYR 34 Cb -0.14 -1.98 0.05 0.00 -0.40 0.00 0.00 41.96 39.49 1vkh s TYR 34 CO -0.07 0.68 -0.03 0.42 -1.57 0.00 0.00 175.55 174.98 1vkh s ILE 35 N -1.15 1.12 0.78 2.71 1.01 0.45 -1.44 121.20 124.67 1vkh s ILE 35 Ca 0.21 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1vkh s ILE 35 Cb -0.13 -1.40 0.06 0.00 0.01 0.00 0.00 42.46 41.00 1vkh s ILE 35 CO 0.10 -0.03 1.12 -1.38 0.00 0.00 0.00 174.94 174.75 1vkh s HIS 36 N 1.60 2.34 0.00 3.97 -3.43 -1.26 -2.32 115.29 116.19 1vkh s HIS 36 Ca -0.02 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 1vkh s HIS 36 Cb -0.17 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.81 1vkh s HIS 36 CO -0.07 -2.06 0.00 0.41 -2.00 0.00 0.00 174.74 171.02 1vkh n GLY 37 N -0.64 2.67 0.00 -1.38 0.00 -1.10 -3.39 105.19 101.35 1vkh n GLY 37 Ca 0.10 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 1.73 2.87 -0.02 0.00 -1.26 -4.75 105.19 108.75 1vkh n GLY 38 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.89 0.00 4.61 0.00 -1.26 -1.20 120.51 121.77 1vkh n ALA 39 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1vkh n ALA 39 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 -4.20 0.00 0.00 0.00 8.01 -1.26 -4.71 117.44 115.28 1vkh n TRP 40 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 1vkh n TRP 40 Cb 0.62 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.83 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 0.00 0.98 -4.60 -0.99 0.23 -0.68 -0.68 115.26 109.53 1vkh n ASN 41 Ca 0.00 -0.09 -0.43 0.00 -0.53 0.00 0.00 54.58 53.53 1vkh n ASN 41 Cb 0.00 0.37 -0.02 0.00 -2.08 0.00 0.00 39.78 38.05 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 -0.57 6.65 0.05 0.53 -1.08 -0.34 -4.81 116.67 117.10 1vkh s ASP 42 Ca 0.00 0.51 0.18 0.00 -0.52 0.00 0.00 52.55 52.72 1vkh s ASP 42 Cb 0.00 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.65 1vkh s ASP 42 CO 0.00 -1.23 1.55 -0.81 0.52 0.00 0.00 175.17 175.20 1vkh n PRO 43 N 7.79 0.04 0.15 4.34 -0.04 -1.26 -2.46 135.00 143.56 1vkh n PRO 43 Ca 0.12 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1vkh n PRO 43 Cb 0.49 -1.58 0.37 0.00 -0.04 0.00 0.00 33.50 32.74 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 -5.85 0.54 5.08 -1.98 -3.42 114.58 108.95 1vkh h GLU 44 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1vkh h GLU 44 Cb 0.30 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1vkh h GLU 44 CO 0.00 0.00 0.20 -0.80 -1.00 0.00 0.00 179.01 177.41 1vkh s ASN 45 N -5.01 6.85 0.32 1.42 -0.87 -1.03 -4.99 114.94 111.64 1vkh s ASN 45 Ca 0.08 1.04 0.05 0.00 -1.57 0.00 0.00 52.86 52.46 1vkh s ASN 45 Cb 0.10 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1vkh s ASN 45 CO 0.59 -0.27 0.20 0.42 -2.57 0.00 0.00 177.10 175.48 1vkh s THR 46 N 1.69 0.19 0.55 1.60 -4.23 -1.26 -4.95 115.64 109.22 1vkh s THR 46 Ca 0.34 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1vkh s THR 46 Cb -0.16 -2.48 0.34 0.00 1.34 0.00 0.00 72.50 71.54 1vkh s THR 46 CO 0.13 0.00 2.10 -0.65 -0.54 0.00 0.00 174.62 175.66 1vkh h PRO 47 N 2.15 0.00 0.00 3.99 0.11 -1.90 -1.00 132.00 135.35 1vkh h PRO 47 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1vkh h PRO 47 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1vkh h PRO 47 CO 0.46 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.54 1vkh n ASN 48 N -4.23 0.21 -0.31 -2.05 5.15 -1.26 -3.07 115.26 109.70 1vkh n ASN 48 Ca 0.02 0.58 0.18 0.00 -0.60 0.00 0.00 54.58 54.76 1vkh n ASN 48 Cb 0.31 -0.62 0.43 0.00 -0.53 0.00 0.00 39.78 39.37 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 0.58 -0.59 1.20 5.19 -1.56 -1.07 116.42 120.18 1vkh h ASP 49 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1vkh h ASP 49 Cb 0.09 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1vkh h ASP 49 CO 0.00 0.19 0.00 0.49 -3.12 0.00 0.00 179.24 176.80 1vkh n PHE 50 N -4.66 0.96 0.06 4.55 3.72 -1.18 -4.48 117.46 116.43 1vkh n PHE 50 Ca 0.23 -0.44 -0.12 0.00 -0.05 0.00 0.00 57.45 57.07 1vkh n PHE 50 Cb 0.70 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 39.09 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 3.51 -0.04 0.18 4.37 -1.24 -1.39 -1.47 115.58 119.49 1vkh h ASN 51 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1vkh h ASN 51 Cb 0.96 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.01 1vkh h ASN 51 CO 0.07 -0.02 -0.15 -0.61 -1.29 0.00 0.00 177.43 175.43 1vkh h GLN 52 N -0.06 -0.33 -0.23 6.67 5.75 -1.80 -1.30 115.11 123.82 1vkh h GLN 52 Ca -0.00 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1vkh h GLN 52 Cb 0.05 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1vkh h GLN 52 CO 0.01 -0.22 -0.03 1.25 -2.65 0.00 0.00 178.83 177.18 1vkh h LEU 53 N -0.34 -0.16 -0.95 -2.39 6.46 -1.73 -1.61 115.31 114.58 1vkh h LEU 53 Ca -0.00 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1vkh h LEU 53 Cb 0.32 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1vkh h LEU 53 CO -0.02 -0.05 0.14 0.00 -0.62 0.00 0.00 178.44 177.88 1vkh h ALA 54 N 1.21 1.15 0.00 1.25 0.00 -1.13 -1.06 119.26 120.69 1vkh h ALA 54 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1vkh h ALA 54 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1vkh h ALA 54 CO -0.21 0.58 -0.46 -2.95 0.00 0.00 0.00 179.25 176.20 1vkh h ASN 55 N 0.87 0.00 -0.15 0.00 7.08 -0.96 0.07 115.58 122.48 1vkh h ASN 55 Ca 0.19 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.37 1vkh h ASN 55 Cb 0.32 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.55 1vkh h ASN 55 CO -0.00 0.46 -0.07 0.74 -2.08 0.00 0.00 177.43 176.48 1vkh h THR 56 N 0.00 1.31 -0.74 6.14 2.02 -0.75 -2.19 112.91 118.70 1vkh h THR 56 Ca -0.00 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1vkh h THR 56 Cb 0.84 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1vkh h THR 56 CO 0.06 0.33 0.49 0.40 0.37 0.00 0.00 175.52 177.17 1vkh h ILE 57 N -0.02 1.19 -0.97 3.11 2.04 -1.02 -1.89 117.51 119.96 1vkh h ILE 57 Ca 0.03 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.65 1vkh h ILE 57 Cb 0.54 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1vkh h ILE 57 CO 0.02 0.18 0.60 0.50 0.00 0.00 0.00 178.15 179.46 1vkh h LYS 58 N 1.00 0.97 -1.50 2.37 3.64 -0.82 0.14 116.57 122.38 1vkh h LYS 58 Ca 0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1vkh h LYS 58 Cb -0.11 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 1vkh h LYS 58 CO -0.06 0.64 0.00 0.43 -2.27 0.00 0.00 179.45 178.19 1vkh n SER 59 N -4.61 1.52 -3.26 4.20 7.64 -0.71 -4.38 113.62 114.02 1vkh n SER 59 Ca 0.17 -1.02 -0.07 0.00 1.01 0.00 0.00 58.87 58.96 1vkh n SER 59 Cb 0.29 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.76 -0.87 0.20 6.43 2.03 0.50 -5.02 116.55 120.58 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 0.25 -0.31 0.81 0.00 -0.72 0.00 0.00 41.12 41.15 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 1.35 0.56 -0.57 5.18 1.35 -1.88 -1.41 112.91 117.48 1vkh h THR 62 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1vkh h THR 62 Cb 0.28 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1vkh h THR 62 CO 0.09 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.74 1vkh n GLU 63 N -3.94 2.65 -3.80 4.72 -0.58 -1.26 -4.97 120.64 113.47 1vkh n GLU 63 Ca 0.01 -2.43 -0.29 0.00 -0.42 0.00 0.00 57.16 54.03 1vkh n GLU 63 Cb 0.30 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.70 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 1.37 -3.08 -0.14 1.62 7.64 -0.53 -4.77 113.62 115.73 1vkh n SER 64 Ca 0.20 -1.01 0.13 0.00 1.01 0.00 0.00 58.87 59.20 1vkh n SER 64 Cb 0.57 -3.26 0.33 0.00 -1.01 0.00 0.00 64.21 60.84 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 -4.30 0.00 -5.13 0.44 -2.24 -1.26 -2.90 114.28 98.89 1vkh n THR 65 Ca -0.19 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 1vkh n THR 65 Cb 0.63 0.31 -0.15 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.71 2.47 0.19 2.28 1.01 -1.26 -0.28 120.40 122.10 1vkh s VAL 66 Ca 0.19 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1vkh s VAL 66 Cb 0.19 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1vkh s VAL 66 CO 0.59 0.58 -0.12 0.00 0.00 0.00 0.00 175.10 176.16 1vkh s GLN 68 N -2.86 0.15 0.03 0.00 -0.21 -0.11 -0.07 119.66 116.60 1vkh s GLN 68 Ca 0.25 0.23 -0.08 0.00 0.02 0.00 0.00 55.36 55.77 1vkh s GLN 68 Cb -0.08 0.03 0.00 0.00 1.00 0.00 0.00 33.01 33.96 1vkh s GLN 68 CO 0.14 -0.05 0.17 0.71 -2.12 0.00 0.00 175.29 174.15 1vkh s TYR 69 N 0.29 0.08 -0.04 0.91 1.51 -0.52 -0.77 117.35 118.82 1vkh s TYR 69 Ca -0.02 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1vkh s TYR 69 Cb -0.03 -0.05 0.03 0.00 -0.11 0.00 0.00 41.96 41.79 1vkh s TYR 69 CO -0.01 -0.40 -0.01 0.45 -1.11 0.00 0.00 175.55 174.46 1vkh s SER 70 N -2.01 0.69 0.30 2.29 0.15 0.08 -0.79 113.70 114.40 1vkh s SER 70 Ca -0.06 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.60 1vkh s SER 70 Cb -0.02 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1vkh s SER 70 CO -0.03 -0.09 0.23 0.27 1.20 0.00 0.00 173.24 174.82 1vkh s ILE 71 N 1.06 3.89 0.31 6.45 -5.25 -0.52 -0.88 121.20 126.26 1vkh s ILE 71 Ca -0.09 -1.42 0.10 0.00 -0.99 0.00 0.00 60.65 58.25 1vkh s ILE 71 Cb -0.14 -3.25 -0.06 0.00 2.95 0.00 0.00 42.46 41.96 1vkh s ILE 71 CO -0.01 -0.26 -0.10 -0.70 -1.79 0.00 0.00 174.94 172.08 1vkh s GLU 72 N -3.91 1.87 0.06 0.37 2.56 -1.26 -4.46 118.70 113.93 1vkh s GLU 72 Ca 0.37 -1.79 -0.26 0.00 0.00 0.00 0.00 54.97 53.29 1vkh s GLU 72 Cb -0.07 -1.81 0.07 0.00 2.00 0.00 0.00 34.13 34.32 1vkh s GLU 72 CO 0.25 0.22 0.62 1.52 -0.56 0.00 0.00 175.26 177.32 1vkh s TYR 73 N -2.53 -0.57 0.62 5.30 -0.85 -1.26 -4.32 117.35 113.74 1vkh s TYR 73 Ca 0.32 0.66 -0.14 0.00 -0.52 0.00 0.00 57.07 57.39 1vkh s TYR 73 Cb -0.01 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 1vkh s TYR 73 CO 0.17 -0.73 1.06 1.03 -1.52 0.00 0.00 175.55 175.56 1vkh s ARG 74 N -2.56 3.23 0.25 -3.49 0.52 -1.26 -5.04 118.95 110.60 1vkh s ARG 74 Ca -0.05 1.13 0.07 0.00 -0.52 0.00 0.00 55.73 56.37 1vkh s ARG 74 Cb -0.01 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 1vkh s ARG 74 CO -0.02 -0.88 0.17 -0.51 0.02 0.00 0.00 175.30 174.08 1vkh s LEU 75 N -4.78 3.73 0.40 2.53 1.43 -1.26 -4.60 118.68 116.13 1vkh s LEU 75 Ca 0.62 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 1vkh s LEU 75 Cb -0.15 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 1vkh s LEU 75 CO 0.42 -0.04 0.86 -0.94 0.23 0.00 0.00 176.35 176.88 1vkh s SER 76 N -3.82 6.80 0.00 2.29 1.04 0.15 -2.12 113.70 118.04 1vkh s SER 76 Ca 0.33 1.48 0.27 0.00 0.48 0.00 0.00 55.95 58.50 1vkh s SER 76 Cb -0.08 -2.46 0.84 0.00 0.10 0.00 0.00 66.02 64.43 1vkh s SER 76 CO 0.24 -0.34 1.63 -0.81 0.98 0.00 0.00 173.24 174.95 1vkh n PRO 77 N -0.73 0.27 -0.37 4.02 -0.04 -1.26 -4.39 135.00 132.50 1vkh n PRO 77 Ca 0.05 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1vkh n PRO 77 Cb 0.54 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.31 1.24 -5.64 0.54 3.07 -1.87 -3.41 114.58 108.81 1vkh h GLU 78 Ca 0.00 -0.07 -0.46 0.00 -0.50 0.00 0.00 59.36 58.32 1vkh h GLU 78 Cb 0.47 -0.28 -0.21 0.00 -0.84 0.00 0.00 28.75 27.89 1vkh h GLU 78 CO 0.00 0.82 -0.79 0.96 -1.40 0.00 0.00 179.01 178.60 1vkh s ILE 79 N -6.08 1.36 0.24 3.13 -4.36 -0.90 -5.08 121.20 109.51 1vkh s ILE 79 Ca -0.13 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1vkh s ILE 79 Cb 0.19 -1.33 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 1vkh s ILE 79 CO 0.82 -0.21 -0.02 0.42 0.24 0.00 0.00 174.94 176.19 1vkh s THR 80 N -1.41 1.18 0.24 8.37 -4.23 -1.26 -2.79 115.64 115.74 1vkh s THR 80 Ca 0.03 -2.06 -0.31 0.00 -1.18 0.00 0.00 61.69 58.17 1vkh s THR 80 Cb -0.09 -2.33 -0.13 0.00 1.34 0.00 0.00 72.50 71.29 1vkh s THR 80 CO 0.03 -0.35 1.45 -3.20 -0.54 0.00 0.00 174.62 172.02 1vkh n ASN 81 N -0.44 2.97 -1.98 3.99 5.15 -0.30 -0.67 115.26 123.98 1vkh n ASN 81 Ca -0.05 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1vkh n ASN 81 Cb 0.64 -1.46 0.36 0.00 -0.53 0.00 0.00 39.78 38.79 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 2.16 4.35 0.19 1.20 -0.04 -1.26 -4.97 135.00 136.63 1vkh n PRO 82 Ca 0.11 -3.14 0.03 0.00 -0.04 0.00 0.00 63.50 60.47 1vkh n PRO 82 Cb 0.32 -2.26 0.36 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.36 0.00 -0.22 0.54 9.65 -1.28 0.15 114.38 126.58 1vkh h ARG 83 Ca 0.14 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1vkh h ARG 83 Cb 2.19 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.77 1vkh h ARG 83 CO 0.63 0.39 -0.09 -0.91 2.80 0.00 0.00 179.97 182.79 1vkh h ASN 84 N 0.00 0.47 -0.53 -3.80 4.21 -1.81 -0.88 115.58 113.24 1vkh h ASN 84 Ca -0.00 -0.40 0.05 0.00 1.21 0.00 0.00 56.30 57.16 1vkh h ASN 84 Cb 0.75 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.77 1vkh h ASN 84 CO 0.05 0.76 0.26 0.25 -1.29 0.00 0.00 177.43 177.46 1vkh h LEU 85 N 0.17 0.35 -1.24 1.61 5.85 -1.78 -2.21 115.31 118.07 1vkh h LEU 85 Ca 0.05 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1vkh h LEU 85 Cb 0.58 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1vkh h LEU 85 CO 0.03 0.24 -0.02 1.88 -0.34 0.00 0.00 178.44 180.23 1vkh h TYR 86 N 0.49 0.52 -0.27 1.25 0.05 -0.42 0.91 116.97 119.49 1vkh h TYR 86 Ca 0.24 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1vkh h TYR 86 Cb 0.17 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1vkh h TYR 86 CO -0.11 0.52 0.17 -0.44 -1.05 0.00 0.00 178.16 177.25 1vkh h ASP 87 N 0.48 0.30 -0.43 3.88 3.32 -0.58 -0.01 116.42 123.39 1vkh h ASP 87 Ca 0.10 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1vkh h ASP 87 Cb 0.34 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1vkh h ASP 87 CO 0.01 0.22 0.24 0.00 -1.72 0.00 0.00 179.24 177.99 1vkh h ALA 88 N 1.10 0.55 -0.19 3.45 0.00 -0.87 -0.62 119.26 122.67 1vkh h ALA 88 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vkh h ALA 88 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1vkh h ALA 88 CO -0.03 0.06 0.10 0.28 0.00 0.00 0.00 179.25 179.67 1vkh h VAL 89 N 0.56 1.01 -0.53 0.00 2.07 -0.70 -1.21 116.25 117.45 1vkh h VAL 89 Ca 0.15 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1vkh h VAL 89 Cb 0.04 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1vkh h VAL 89 CO -0.03 0.04 0.33 -1.28 0.02 0.00 0.00 177.57 176.66 1vkh h SER 90 N 0.22 0.56 -0.52 0.57 0.87 -0.81 -0.59 113.55 113.84 1vkh h SER 90 Ca 0.08 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1vkh h SER 90 Cb 0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1vkh h SER 90 CO -0.04 0.40 0.06 0.78 -0.53 0.00 0.00 176.83 177.50 1vkh h ASN 91 N 0.67 0.85 -0.48 6.23 2.35 -0.91 -1.60 115.58 122.69 1vkh h ASN 91 Ca 0.20 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1vkh h ASN 91 Cb -0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1vkh h ASN 91 CO -0.07 0.91 0.03 0.40 -1.65 0.00 0.00 177.43 177.05 1vkh h ILE 92 N 0.76 1.26 -0.55 2.81 2.04 -1.07 -1.34 117.51 121.42 1vkh h ILE 92 Ca 0.16 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.04 1vkh h ILE 92 Cb 0.43 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1vkh h ILE 92 CO 0.01 0.35 0.31 0.74 0.00 0.00 0.00 178.15 179.57 1vkh h THR 93 N 0.68 1.01 -0.39 -0.27 2.02 -0.85 0.11 112.91 115.22 1vkh h THR 93 Ca 0.14 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1vkh h THR 93 Cb 0.47 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1vkh h THR 93 CO 0.02 0.11 0.05 -0.09 0.37 0.00 0.00 175.52 175.97 1vkh h ARG 94 N 0.60 0.66 -0.05 6.66 2.43 -1.10 -1.74 114.38 121.84 1vkh h ARG 94 Ca 0.23 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1vkh h ARG 94 Cb 0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1vkh h ARG 94 CO -0.13 0.73 0.03 1.25 -1.51 0.00 0.00 179.97 180.34 1vkh h LEU 95 N 0.50 0.06 -0.50 3.80 5.85 -0.94 0.15 115.31 124.24 1vkh h LEU 95 Ca 0.12 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1vkh h LEU 95 Cb 0.40 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1vkh h LEU 95 CO 0.01 0.07 -0.02 0.58 -0.34 0.00 0.00 178.44 178.74 1vkh h VAL 96 N 0.05 0.59 -0.15 1.05 2.07 -0.73 0.11 116.25 119.24 1vkh h VAL 96 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1vkh h VAL 96 Cb 0.02 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1vkh h VAL 96 CO -0.00 0.02 0.05 0.50 0.02 0.00 0.00 177.57 178.16 1vkh h LYS 97 N 0.10 0.22 -0.49 1.57 3.64 -0.98 0.12 116.57 120.75 1vkh h LYS 97 Ca 0.25 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1vkh h LYS 97 Cb 0.38 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1vkh h LYS 97 CO -0.43 0.33 -0.11 0.93 -2.27 0.00 0.00 179.45 177.90 1vkh h GLU 98 N 0.07 0.90 -0.00 1.90 5.08 -0.42 -3.02 114.58 119.09 1vkh h GLU 98 Ca 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1vkh h GLU 98 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1vkh h GLU 98 CO -0.00 0.96 -0.61 1.63 -1.00 0.00 0.00 179.01 179.99 1vkh n LYS 99 N -4.15 0.18 -3.21 2.33 4.76 0.37 -4.98 118.16 113.46 1vkh n LYS 99 Ca 0.01 -0.13 -0.16 0.00 -2.87 0.00 0.00 58.31 55.17 1vkh n LYS 99 Cb 0.39 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.14 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 -0.10 3.69 0.72 0.00 0.27 -4.96 105.19 106.29 1vkh n GLY 100 Ca 0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.33 4.30 -0.22 0.99 1.43 -0.41 -4.89 118.68 114.55 1vkh s LEU 101 Ca 0.32 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 1vkh s LEU 101 Cb -0.14 -3.56 -0.19 0.00 0.03 0.00 0.00 46.19 42.32 1vkh s LEU 101 CO 0.51 -0.50 -0.05 0.35 0.23 0.00 0.00 176.35 176.89 1vkh n THR 102 N 4.41 1.58 -4.44 5.49 -2.24 -1.26 -4.89 114.28 112.93 1vkh n THR 102 Ca 0.10 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 61.11 1vkh n THR 102 Cb 0.47 -1.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.00 1vkh n THR 102 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vkh s ASN 103 N -6.80 2.30 -0.06 3.42 2.20 -1.26 -4.77 114.94 109.97 1vkh s ASN 103 Ca -0.31 -1.40 -0.19 0.00 -0.94 0.00 0.00 52.86 50.01 1vkh s ASN 103 Cb 0.09 -0.01 0.04 0.00 -2.00 0.00 0.00 41.25 39.37 1vkh s ASN 103 CO 0.64 -0.65 0.45 0.27 -2.94 0.00 0.00 177.10 174.86 1vkh s ILE 104 N -3.33 0.03 0.27 0.54 -4.36 -0.33 -4.13 121.20 109.88 1vkh s ILE 104 Ca 0.35 -0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.51 1vkh s ILE 104 Cb 0.08 -0.73 0.01 0.00 1.25 0.00 0.00 42.46 43.07 1vkh s ILE 104 CO 0.15 -0.13 0.08 0.59 0.24 0.00 0.00 174.94 175.87 1vkh n ASN 105 N 1.53 2.40 0.00 4.36 3.02 0.12 -0.61 115.26 126.08 1vkh n ASN 105 Ca -0.19 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 1vkh n ASN 105 Cb 0.56 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 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 -0.84 0.00 -4.25 2.41 0.31 -0.29 -0.39 118.33 115.27 1vkh n VAL 107 Ca -0.07 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.07 1vkh n VAL 107 Cb 0.32 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.86 -0.02 2.92 0.00 -0.61 -0.41 107.32 110.06 1vkh s GLY 108 Ca 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.83 1vkh s GLY 108 CO 0.00 -0.95 -0.19 -1.58 0.00 0.00 0.00 173.10 170.38 1vkh s HIS 109 N -1.10 1.69 0.00 1.90 2.46 -0.98 -0.70 115.29 118.56 1vkh s HIS 109 Ca -0.00 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.20 1vkh s HIS 109 Cb -0.09 -1.09 0.00 0.00 -0.13 0.00 0.00 32.58 31.27 1vkh s HIS 109 CO 0.02 -0.04 0.00 0.45 -2.47 0.00 0.00 174.74 172.70 1vkh n SER 110 N 2.65 0.00 0.27 9.88 2.88 -0.33 -0.36 113.62 128.62 1vkh n SER 110 Ca -0.15 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 1vkh n SER 110 Cb 0.53 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.77 1vkh n SER 110 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1vkh h VAL 111 N 0.00 0.00 -0.51 2.46 -1.51 -1.86 -1.23 116.25 113.60 1vkh h VAL 111 Ca 0.00 -0.37 -0.03 0.00 -1.23 0.00 0.00 66.70 65.07 1vkh h VAL 111 Cb 0.00 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1vkh h VAL 111 CO 0.00 0.00 0.21 1.23 -1.23 0.00 0.00 177.57 177.78 1vkh h GLY 112 N 1.62 0.78 1.25 5.19 0.00 -0.71 0.13 103.07 111.34 1vkh h GLY 112 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.77 1vkh h GLY 112 CO 0.00 0.36 -0.54 0.00 0.00 0.00 0.00 176.54 176.37 1vkh h ALA 113 N 1.51 0.54 -0.35 3.60 0.00 -1.22 -2.55 119.26 120.79 1vkh h ALA 113 Ca 0.18 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.65 1vkh h ALA 113 Cb 0.14 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1vkh h ALA 113 CO -0.02 0.68 -0.23 1.15 0.00 0.00 0.00 179.25 180.84 1vkh h THR 114 N 0.61 0.38 -0.61 0.00 2.02 -0.86 -0.54 112.91 113.90 1vkh h THR 114 Ca 0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.28 1vkh h THR 114 Cb 1.13 0.38 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 1vkh h THR 114 CO 0.11 0.00 0.25 -0.26 0.37 0.00 0.00 175.52 176.00 1vkh h PHE 115 N -0.18 0.44 -0.66 3.16 0.04 -0.64 0.76 116.94 119.87 1vkh h PHE 115 Ca 0.18 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.94 1vkh h PHE 115 Cb 0.45 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1vkh h PHE 115 CO -0.44 0.14 0.29 0.82 -0.60 0.00 0.00 178.31 178.52 1vkh h ILE 116 N 0.45 1.23 -0.38 -0.55 2.04 -0.94 -0.98 117.51 118.38 1vkh h ILE 116 Ca 0.30 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1vkh h ILE 116 Cb 0.34 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1vkh h ILE 116 CO -0.28 0.28 0.19 -0.25 0.00 0.00 0.00 178.15 178.09 1vkh h TRP 117 N 0.92 0.36 -1.00 1.37 2.91 -0.44 -0.36 115.95 119.70 1vkh h TRP 117 Ca 0.22 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.27 1vkh h TRP 117 Cb 0.16 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.66 1vkh h TRP 117 CO 0.01 0.19 0.67 1.96 -1.03 0.00 0.00 178.44 180.23 1vkh h GLN 118 N 0.39 1.32 -0.46 2.65 4.20 -0.22 -1.69 115.11 121.30 1vkh h GLN 118 Ca 0.16 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1vkh h GLN 118 Cb 0.07 -0.30 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1vkh h GLN 118 CO -0.11 0.87 0.30 0.82 -0.67 0.00 0.00 178.83 180.05 1vkh h ILE 119 N 1.36 1.11 -0.04 2.54 2.04 -0.73 -2.48 117.51 121.30 1vkh h ILE 119 Ca 0.37 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1vkh h ILE 119 Cb -0.15 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1vkh h ILE 119 CO -0.08 0.11 0.04 -0.07 0.00 0.00 0.00 178.15 178.15 1vkh h LEU 120 N 0.62 0.00 -1.13 1.44 3.38 -0.20 -1.91 115.31 117.51 1vkh h LEU 120 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vkh h LEU 120 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1vkh h LEU 120 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1vkh n ALA 121 N -2.43 2.48 0.23 1.53 0.00 -0.81 -4.24 120.51 117.28 1vkh n ALA 121 Ca -0.02 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.03 1vkh n ALA 121 Cb 0.13 -1.03 0.82 0.00 0.00 0.00 0.00 19.45 19.37 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 3.77 1.79 0.00 0.00 0.00 -1.23 -2.35 119.26 121.24 1vkh h ALA 122 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vkh h ALA 122 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vkh h ALA 122 CO 0.00 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1vkh n LEU 123 N -3.99 0.00 0.29 0.00 4.77 -1.26 -2.49 117.00 114.31 1vkh n LEU 123 Ca -0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1vkh n LEU 123 Cb 0.22 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.18 1vkh n LEU 123 CO 0.29 0.00 1.08 0.07 -1.33 0.00 0.00 177.39 177.50 1vkh h LYS 124 N 0.00 0.00 -5.67 3.23 2.10 -1.74 -3.40 116.57 111.09 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 0.00 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.11 1vkh h LYS 124 CO 0.00 0.04 -0.71 -0.51 -2.00 0.00 0.00 179.45 176.27 1vkh s ASP 125 N -6.05 4.49 0.69 7.07 1.01 -1.04 -5.12 116.67 117.72 1vkh s ASP 125 Ca -0.04 -0.15 -0.14 0.00 0.71 0.00 0.00 52.55 52.93 1vkh s ASP 125 Cb 0.14 -1.46 0.01 0.00 1.01 0.00 0.00 42.92 42.62 1vkh s ASP 125 CO 0.55 0.25 1.12 -2.16 0.21 0.00 0.00 175.17 175.13 1vkh s PRO 126 N -0.12 2.63 0.48 8.23 0.04 -1.26 -4.91 135.00 140.09 1vkh s PRO 126 Ca 0.01 1.40 0.25 0.00 0.04 0.00 0.00 61.00 62.70 1vkh s PRO 126 Cb -0.13 -1.93 1.30 0.00 0.04 0.00 0.00 34.50 33.78 1vkh s PRO 126 CO 0.03 -1.39 1.86 1.96 0.04 0.00 0.00 177.00 179.51 1vkh h GLN 127 N -0.18 0.18 0.00 4.56 4.20 -1.97 0.00 115.11 121.91 1vkh h GLN 127 Ca -0.46 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1vkh h GLN 127 Cb 1.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1vkh h GLN 127 CO 0.53 0.12 0.00 0.93 -0.67 0.00 0.00 178.83 179.74 1vkh h GLU 128 N 0.19 0.00 -3.49 1.46 3.07 -2.05 -3.48 114.58 110.28 1vkh h GLU 128 Ca 0.46 0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.65 1vkh h GLU 128 Cb 1.50 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 29.03 1vkh h GLU 128 CO -0.10 0.00 -0.49 0.15 -1.40 0.00 0.00 179.01 177.17 1vkh s LYS 129 N -3.72 2.28 0.46 2.33 -0.14 -0.02 -5.24 119.74 115.70 1vkh s LYS 129 Ca 0.00 -2.58 0.03 0.00 -1.36 0.00 0.00 55.97 52.06 1vkh s LYS 129 Cb 0.10 -3.53 -0.02 0.00 -1.68 0.00 0.00 37.83 32.70 1vkh s LYS 129 CO 0.51 -1.14 0.07 -1.54 -0.76 0.00 0.00 175.35 172.48 1vkh s SER 131 N 0.20 3.48 0.15 2.83 1.04 -1.26 -4.97 113.70 115.17 1vkh s SER 131 Ca 0.17 -1.67 -0.12 0.00 0.48 0.00 0.00 55.95 54.81 1vkh s SER 131 Cb -0.23 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1vkh s SER 131 CO -0.02 -0.89 1.61 -0.08 0.98 0.00 0.00 173.24 174.84 1vkh h GLU 132 N 1.56 0.89 -0.76 4.02 4.57 -2.02 0.83 114.58 123.68 1vkh h GLU 132 Ca -0.40 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1vkh h GLU 132 Cb 1.29 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1vkh h GLU 132 CO 0.65 0.92 0.49 0.00 -1.18 0.00 0.00 179.01 179.89 1vkh h ALA 133 N 0.94 0.96 -0.60 2.92 0.00 -1.99 -1.25 119.26 120.24 1vkh h ALA 133 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1vkh h ALA 133 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1vkh h ALA 133 CO 0.02 0.39 0.05 1.96 0.00 0.00 0.00 179.25 181.68 1vkh h GLN 134 N 1.03 1.03 -0.95 0.00 4.20 -1.91 -2.15 115.11 116.36 1vkh h GLN 134 Ca 0.28 -0.30 0.08 0.00 0.06 0.00 0.00 58.65 58.77 1vkh h GLN 134 Cb -0.10 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.50 1vkh h GLN 134 CO -0.06 0.99 0.60 -0.07 -0.67 0.00 0.00 178.83 179.62 1vkh h LEU 135 N 0.93 0.93 -1.80 1.46 3.38 -0.63 -0.71 115.31 118.87 1vkh h LEU 135 Ca 0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vkh h LEU 135 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vkh h LEU 135 CO 0.02 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1vkh n GLN 136 N -4.58 0.04 0.00 1.13 6.02 -0.49 -1.33 117.38 118.17 1vkh n GLN 136 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1vkh n GLN 136 Cb 0.23 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 0.88 0.00 0.18 1.08 7.94 -0.28 -1.32 117.00 125.48 1vkh n LEU 138 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1vkh n LEU 138 Cb 0.02 0.00 0.36 0.00 0.53 0.00 0.00 43.42 44.33 1vkh n LEU 138 CO 0.00 0.00 0.73 1.23 -1.11 0.00 0.00 177.39 178.24 1vkh h GLY 139 N 0.00 0.02 1.04 -3.96 0.00 -1.48 -1.88 103.07 96.82 1vkh h GLY 139 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1vkh h GLY 139 CO 0.00 0.02 -0.37 1.41 0.00 0.00 0.00 176.54 177.59 1vkh h LEU 140 N 0.02 0.86 -1.65 3.11 3.38 -1.48 -2.98 115.31 116.56 1vkh h LEU 140 Ca -0.00 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1vkh h LEU 140 Cb 0.65 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1vkh h LEU 140 CO 0.05 1.18 0.38 -0.07 0.09 0.00 0.00 178.44 180.06 1vkh h LEU 141 N 0.56 0.36 -1.94 1.67 3.38 -1.74 -0.56 115.31 117.05 1vkh h LEU 141 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1vkh h LEU 141 Cb 0.96 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1vkh h LEU 141 CO 0.09 0.22 0.00 1.56 0.09 0.00 0.00 178.44 180.40 1vkh h GLN 142 N 0.40 0.00 0.00 1.13 4.20 -1.19 -3.25 115.11 116.41 1vkh h GLN 142 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1vkh h GLN 142 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1vkh h GLN 142 CO -0.07 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.53 1vkh n ILE 143 N -2.98 0.00 -2.52 2.54 -5.35 -0.46 -5.04 119.36 105.55 1vkh n ILE 143 Ca -0.01 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.71 1vkh n ILE 143 Cb 0.20 1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 39.29 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 -0.21 4.07 -0.18 7.28 1.01 -0.34 -1.19 120.40 130.83 1vkh s VAL 144 Ca 0.00 1.64 0.06 0.00 0.00 0.00 0.00 61.98 63.68 1vkh s VAL 144 Cb 0.00 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 1vkh s VAL 144 CO 0.00 0.21 -0.09 1.17 0.00 0.00 0.00 175.10 176.40 1vkh n LYS 145 N 3.07 0.87 -3.68 2.72 4.81 0.22 -4.68 118.16 121.48 1vkh n LYS 145 Ca 0.05 0.07 -0.15 0.00 -0.87 0.00 0.00 58.31 57.41 1vkh n LYS 145 Cb 0.47 -1.41 -0.08 0.00 0.02 0.00 0.00 35.03 34.03 1vkh n LYS 145 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1vkh s ARG 146 N -2.40 0.75 0.05 1.64 0.52 -1.24 -1.29 118.95 116.98 1vkh s ARG 146 Ca -0.20 0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 1vkh s ARG 146 Cb 0.06 0.35 -0.03 0.00 0.52 0.00 0.00 34.95 35.85 1vkh s ARG 146 CO 0.54 -0.19 -0.18 0.14 0.02 0.00 0.00 175.30 175.63 1vkh s VAL 147 N -0.81 1.44 -0.23 3.52 -7.23 -0.18 -4.31 120.40 112.60 1vkh s VAL 147 Ca -0.09 -1.19 -0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1vkh s VAL 147 Cb -0.03 -1.28 0.06 0.00 0.56 0.00 0.00 36.38 35.69 1vkh s VAL 147 CO 0.05 0.07 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.53 1vkh s PHE 148 N -0.90 1.92 -0.39 2.82 0.40 -1.26 -1.23 117.98 119.34 1vkh s PHE 148 Ca 0.05 -1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 54.79 1vkh s PHE 148 Cb -0.09 -1.44 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1vkh s PHE 148 CO 0.02 -0.73 0.22 -0.51 0.70 0.00 0.00 175.22 174.92 1vkh s LEU 149 N 1.55 4.87 -0.40 -0.37 1.43 -0.00 -1.57 118.68 124.18 1vkh s LEU 149 Ca -0.02 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 51.70 1vkh s LEU 149 Cb -0.18 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1vkh s LEU 149 CO -0.08 -0.45 0.27 -0.76 0.23 0.00 0.00 176.35 175.56 1vkh s LEU 150 N 1.48 5.01 -1.28 1.79 1.43 0.12 -0.74 118.68 126.49 1vkh s LEU 150 Ca 0.02 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1vkh s LEU 150 Cb -0.21 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1vkh s LEU 150 CO 0.04 -0.45 0.67 0.47 0.23 0.00 0.00 176.35 177.31 1vkh n ASP 151 N 5.08 -1.97 -4.94 2.29 9.92 -0.06 -1.18 116.55 125.69 1vkh n ASP 151 Ca -0.11 -0.88 -0.23 0.00 -0.53 0.00 0.00 54.79 53.03 1vkh n ASP 151 Cb 0.46 -3.83 0.05 0.00 -0.64 0.00 0.00 41.12 37.17 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 -4.17 1.77 -0.21 0.44 0.00 -1.26 -2.59 107.32 101.29 1vkh s GLY 152 Ca 0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 1vkh s GLY 152 CO 0.83 -0.83 -0.02 -0.42 0.00 0.00 0.00 173.10 172.67 1vkh s ILE 153 N -2.98 3.68 -0.06 0.90 1.01 -1.24 -4.81 121.20 117.69 1vkh s ILE 153 Ca 0.59 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1vkh s ILE 153 Cb -0.10 -2.67 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 1vkh s ILE 153 CO 0.41 0.42 0.02 -1.22 0.00 0.00 0.00 174.94 174.57 1vkh n TYR 154 N 4.56 0.00 -4.03 3.97 4.01 -1.26 -4.04 117.16 120.37 1vkh n TYR 154 Ca -0.18 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.25 1vkh n TYR 154 Cb 0.51 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 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 -3.76 3.69 0.22 7.72 0.15 -1.26 -4.39 113.70 116.06 1vkh s SER 155 Ca -0.03 -1.02 -0.08 0.00 0.70 0.00 0.00 55.95 55.52 1vkh s SER 155 Cb 0.02 -1.34 0.19 0.00 -1.71 0.00 0.00 66.02 63.17 1vkh s SER 155 CO 0.25 -0.15 1.83 -0.07 1.20 0.00 0.00 173.24 176.30 1vkh h LEU 156 N 7.91 1.09 -0.20 3.45 -0.00 -1.93 -1.69 115.31 123.95 1vkh h LEU 156 Ca -0.27 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1vkh h LEU 156 Cb 1.08 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1vkh h LEU 156 CO 0.49 0.90 0.09 0.50 -0.00 0.00 0.00 178.44 180.42 1vkh h LYS 157 N 1.21 0.20 -0.08 1.13 3.64 -1.93 -1.78 116.57 118.96 1vkh h LYS 157 Ca 0.30 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1vkh h LYS 157 Cb 0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1vkh h LYS 157 CO -0.04 0.13 -0.30 0.93 -2.27 0.00 0.00 179.45 177.90 1vkh h GLU 158 N 0.21 0.14 -0.17 1.90 4.39 -1.96 -2.12 114.58 116.96 1vkh h GLU 158 Ca 0.08 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1vkh h GLU 158 Cb 0.02 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1vkh h GLU 158 CO -0.06 0.43 0.03 1.25 -1.16 0.00 0.00 179.01 179.50 1vkh h LEU 159 N 0.13 0.27 -0.56 1.33 5.85 -0.72 -1.73 115.31 119.88 1vkh h LEU 159 Ca 0.02 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1vkh h LEU 159 Cb 0.60 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1vkh h LEU 159 CO 0.04 0.46 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.09 1vkh h LEU 160 N 0.08 0.00 -0.02 2.25 -0.00 -1.21 0.19 115.31 116.59 1vkh h LEU 160 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1vkh h LEU 160 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1vkh h LEU 160 CO 0.00 0.44 0.01 0.40 -0.00 0.00 0.00 178.44 179.30 1vkh h ILE 161 N 0.00 1.01 -0.17 1.22 2.04 -1.29 -2.57 117.51 117.76 1vkh h ILE 161 Ca -0.00 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1vkh h ILE 161 Cb 1.11 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1vkh h ILE 161 CO 0.06 0.01 -0.30 -0.08 0.00 0.00 0.00 178.15 177.83 1vkh h GLU 162 N 0.02 0.51 -2.90 2.37 4.81 -1.17 -3.39 114.58 114.82 1vkh h GLU 162 Ca 0.01 -0.32 -0.61 0.00 -0.13 0.00 0.00 59.36 58.31 1vkh h GLU 162 Cb 0.00 0.04 -0.41 0.00 0.63 0.00 0.00 28.75 29.01 1vkh h GLU 162 CO -0.00 0.92 -0.71 0.71 -0.73 0.00 0.00 179.01 179.20 1vkh s TYR 163 N -4.08 2.65 0.57 0.92 2.02 0.64 -4.95 117.35 115.12 1vkh s TYR 163 Ca -0.13 -2.93 0.26 0.00 -0.37 0.00 0.00 57.07 53.91 1vkh s TYR 163 Cb 0.06 -2.12 1.54 0.00 -0.40 0.00 0.00 41.96 41.04 1vkh s TYR 163 CO 0.80 -0.67 2.07 -1.00 -1.57 0.00 0.00 175.55 175.18 1vkh h PRO 164 N 5.74 0.00 0.00 -1.71 0.13 -1.67 -0.86 132.00 133.62 1vkh h PRO 164 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1vkh h PRO 164 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1vkh h PRO 164 CO 0.59 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 1vkh h GLU 165 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.38 114.58 120.23 1vkh h GLU 165 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 1vkh h GLU 165 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1vkh h GLU 165 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1vkh n TYR 166 N -2.77 0.00 0.10 2.06 4.02 -0.33 -2.39 117.16 117.85 1vkh n TYR 166 Ca 0.01 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.10 1vkh n TYR 166 Cb 0.26 -0.00 0.72 0.00 -0.02 0.00 0.00 39.34 40.30 1vkh n TYR 166 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1vkh h ASP 167 N 0.00 0.00 0.07 7.72 3.58 -1.59 -1.30 116.42 124.89 1vkh h ASP 167 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1vkh h ASP 167 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1vkh h ASP 167 CO 0.00 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.32 1vkh n PHE 169 N -4.06 0.00 -0.06 0.00 1.16 -0.81 -4.54 117.46 109.14 1vkh n PHE 169 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.53 1vkh n PHE 169 Cb 0.13 -0.46 0.24 0.00 -1.61 0.00 0.00 39.48 37.77 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 0.00 1.21 -0.07 1.97 1.35 -1.22 -1.86 112.91 114.29 1vkh h THR 170 Ca -0.26 -0.84 0.02 0.00 -0.55 0.00 0.00 66.41 64.78 1vkh h THR 170 Cb 1.52 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1vkh h THR 170 CO -0.01 0.30 0.09 0.08 -0.25 0.00 0.00 175.52 175.73 1vkh h ARG 171 N 0.64 0.00 0.03 4.72 0.11 -1.36 0.13 114.38 118.65 1vkh h ARG 171 Ca 0.14 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.96 1vkh h ARG 171 Cb 0.34 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.45 1vkh h ARG 171 CO 0.01 0.00 -1.01 -0.07 0.10 0.00 0.00 179.97 179.00 1vkh h LEU 172 N 0.00 0.83 0.00 0.08 3.38 -1.58 -3.09 115.31 114.94 1vkh h LEU 172 Ca 0.03 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 57.16 1vkh h LEU 172 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1vkh h LEU 172 CO -0.00 1.50 -1.00 0.00 0.09 0.00 0.00 178.44 179.03 1vkh h ALA 173 N 0.35 0.63 -2.11 1.53 0.00 -1.39 -3.40 119.26 114.86 1vkh h ALA 173 Ca -0.14 -0.37 -0.56 0.00 0.00 0.00 0.00 54.91 53.84 1vkh h ALA 173 Cb 1.68 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 19.16 1vkh h ALA 173 CO 0.20 0.42 -0.90 1.19 0.00 0.00 0.00 179.25 180.16 1vkh n PHE 174 N -2.86 1.74 0.25 0.00 3.72 0.42 -1.15 117.46 119.57 1vkh n PHE 174 Ca -0.03 -3.87 0.11 0.00 -0.05 0.00 0.00 57.45 53.61 1vkh n PHE 174 Cb 0.68 -0.45 0.67 0.00 -0.94 0.00 0.00 39.48 39.44 1vkh n PHE 174 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1vkh h PRO 175 N 3.62 0.00 -0.52 -1.08 0.13 -1.74 -1.23 132.00 131.17 1vkh h PRO 175 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vkh h PRO 175 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1vkh h PRO 175 CO 0.64 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.31 1vkh n ASP 176 N -3.69 2.82 0.00 1.44 8.00 -1.26 -5.04 116.55 118.82 1vkh n ASP 176 Ca -0.02 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1vkh n ASP 176 Cb 0.26 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.19 2.66 0.00 0.44 0.00 -0.46 -4.82 105.19 104.20 1vkh n GLY 177 Ca 0.17 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.56 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 0.97 1.18 -0.46 -0.61 -5.35 -1.26 -4.48 119.36 109.36 1vkh n ILE 178 Ca 0.00 0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 62.69 1vkh n ILE 178 Cb 0.00 -1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 36.75 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 -1.51 1.06 -1.75 6.28 0.00 -1.26 -4.86 117.38 115.33 1vkh n GLN 179 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 57.00 56.36 1vkh n GLN 179 Cb 0.14 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.47 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 3.30 -1.17 1.29 2.61 9.36 -1.26 -5.08 117.16 126.21 1vkh n TYR 181 Ca 0.23 0.70 0.13 0.00 3.32 0.00 0.00 57.90 62.28 1vkh n TYR 181 Cb 0.29 -1.35 0.39 0.00 -0.63 0.00 0.00 39.34 38.05 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 1.70 1.08 -1.82 2.98 1.02 -1.26 -4.39 120.64 119.95 1vkh n GLU 182 Ca 0.00 -0.65 -0.22 0.00 -0.02 0.00 0.00 57.16 56.27 1vkh n GLU 182 Cb 0.00 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.39 3.33 -1.86 3.49 4.71 -1.26 -4.83 120.64 123.84 1vkh n GLU 183 Ca 0.14 -3.99 -0.42 0.00 -0.01 0.00 0.00 57.16 52.87 1vkh n GLU 183 Cb 0.36 -2.22 -0.03 0.00 -1.01 0.00 0.00 31.44 28.54 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 -3.59 4.18 0.21 3.49 0.41 -1.26 -4.82 118.70 117.32 1vkh s GLU 184 Ca 0.51 2.46 -0.10 0.00 -0.41 0.00 0.00 54.97 57.43 1vkh s GLU 184 Cb 0.42 -3.11 0.28 0.00 -1.78 0.00 0.00 34.13 29.94 1vkh s GLU 184 CO 0.03 -0.65 1.69 -1.35 -0.49 0.00 0.00 175.26 174.48 1vkh h PRO 185 N 6.58 0.19 0.00 0.39 0.11 -1.96 0.37 132.00 137.69 1vkh h PRO 185 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1vkh h PRO 185 Cb 1.20 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vkh h PRO 185 CO 0.92 0.13 -0.14 0.66 -0.21 0.00 0.00 178.00 179.35 1vkh h SER 186 N 0.20 0.00 0.25 -2.05 4.64 -1.96 -2.34 113.55 112.29 1vkh h SER 186 Ca 0.31 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.30 1vkh h SER 186 Cb 0.48 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1vkh h SER 186 CO -0.44 0.14 -1.43 -0.09 -0.87 0.00 0.00 176.83 174.13 1vkh h ARG 187 N 0.00 0.55 -3.38 4.77 2.43 -1.34 -3.46 114.38 113.95 1vkh h ARG 187 Ca -0.00 -0.90 -0.71 0.00 -0.81 0.00 0.00 59.98 57.56 1vkh h ARG 187 Cb 0.36 0.33 -0.35 0.00 -0.42 0.00 0.00 29.97 29.89 1vkh h ARG 187 CO 0.02 1.43 -0.13 0.14 -1.51 0.00 0.00 179.97 179.91 1vkh s VAL 188 N -2.67 4.29 0.00 0.20 -7.23 -0.48 -4.88 120.40 109.63 1vkh s VAL 188 Ca -0.09 -3.66 0.00 0.00 -1.81 0.00 0.00 61.98 56.43 1vkh s VAL 188 Cb 0.04 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1vkh s VAL 188 CO 0.94 -1.05 0.00 -2.65 -0.31 0.00 0.00 175.10 172.04 1vkh n PRO 190 N 2.59 0.00 0.12 4.82 -0.02 -1.26 -1.68 135.00 139.57 1vkh n PRO 190 Ca 0.19 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.48 1vkh n PRO 190 Cb 0.37 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.71 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 0.66 -0.50 6.00 0.05 -1.92 -2.23 116.97 119.02 1vkh h TYR 191 Ca 0.00 -0.48 -0.00 0.00 0.05 0.00 0.00 58.73 58.30 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 1.37 0.31 0.28 -1.05 0.00 0.00 178.16 179.07 1vkh h VAL 192 N 0.10 1.15 -0.37 -2.88 2.07 -1.50 -1.54 116.25 113.28 1vkh h VAL 192 Ca -0.17 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.10 1vkh h VAL 192 Cb 2.03 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 1vkh h VAL 192 CO 0.23 0.15 -0.01 0.50 0.02 0.00 0.00 177.57 178.46 1vkh h LYS 193 N 0.67 0.09 -0.77 1.57 1.63 -1.81 0.18 116.57 118.12 1vkh h LYS 193 Ca 0.18 -0.01 0.11 0.00 -0.85 0.00 0.00 60.65 60.09 1vkh h LYS 193 Cb -0.03 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.50 1vkh h LYS 193 CO -0.03 0.06 0.39 0.87 -3.45 0.00 0.00 179.45 177.28 1vkh h LYS 194 N 0.09 0.61 -0.00 1.90 1.57 -1.09 -2.87 116.57 116.77 1vkh h LYS 194 Ca 0.18 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1vkh h LYS 194 Cb 0.26 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1vkh h LYS 194 CO -0.31 0.40 -0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1vkh h ALA 195 N 1.48 0.00 -0.56 3.86 0.00 -0.10 -0.98 119.26 122.95 1vkh h ALA 195 Ca 0.39 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1vkh h ALA 195 Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1vkh h ALA 195 CO -0.30 -0.31 0.07 -0.07 0.00 0.00 0.00 179.25 178.64 1vkh h LEU 196 N -0.36 0.87 0.02 0.00 4.07 -0.94 0.68 115.31 119.65 1vkh h LEU 196 Ca 0.00 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 1vkh h LEU 196 Cb 0.36 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1vkh h LEU 196 CO 0.00 0.89 -0.01 0.77 -1.08 0.00 0.00 178.44 179.01 1vkh h SER 197 N 0.86 -0.02 -1.02 -0.43 4.64 -1.57 0.32 113.55 116.33 1vkh h SER 197 Ca 0.17 -0.71 0.25 0.00 -0.47 0.00 0.00 61.79 61.03 1vkh h SER 197 Cb 0.41 0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 1vkh h SER 197 CO 0.01 0.73 0.65 -0.09 -0.87 0.00 0.00 176.83 177.27 1vkh h ARG 198 N -0.81 0.44 -0.01 4.77 2.43 -0.93 -3.14 114.38 117.13 1vkh h ARG 198 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1vkh h ARG 198 Cb 0.74 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1vkh h ARG 198 CO 0.00 0.29 -0.05 1.19 -1.51 0.00 0.00 179.97 179.89 1vkh n PHE 199 N -4.65 0.00 -3.23 2.20 3.72 0.21 -5.05 117.46 110.66 1vkh n PHE 199 Ca 0.25 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.58 1vkh n PHE 199 Cb 0.82 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.36 1vkh n PHE 199 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1vkh n SER 200 N 0.06 -7.10 -4.33 4.37 7.64 0.11 -4.96 113.62 109.40 1vkh n SER 200 Ca 0.03 -0.31 -0.34 0.00 1.01 0.00 0.00 58.87 59.27 1vkh n SER 200 Cb 0.15 -4.58 -0.14 0.00 -1.01 0.00 0.00 64.21 58.62 1vkh n SER 200 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1vkh s ILE 201 N -3.04 3.06 0.33 0.44 1.01 -1.15 -4.70 121.20 117.15 1vkh s ILE 201 Ca 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1vkh s ILE 201 Cb -0.01 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.21 1vkh s ILE 201 CO 0.78 0.49 0.44 0.47 0.00 0.00 0.00 174.94 177.13 1vkh n ASP 202 N 4.02 0.29 0.00 3.58 8.00 -0.42 -4.95 116.55 127.08 1vkh n ASP 202 Ca -0.18 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1vkh n ASP 202 Cb 0.52 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.31 0.00 -4.61 1.24 8.25 -0.36 -1.01 115.22 116.41 1vkh n HIS 204 Ca 0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.19 1vkh n HIS 204 Cb 0.22 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.20 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 2.98 -0.03 2.41 1.43 0.40 -0.82 118.68 125.03 1vkh s LEU 205 Ca 0.00 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1vkh s LEU 205 Cb 0.00 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1vkh s LEU 205 CO 0.00 0.19 -0.11 -0.69 0.23 0.00 0.00 176.35 175.97 1vkh s VAL 206 N 0.22 0.95 0.01 -1.59 1.01 0.08 -0.96 120.40 120.12 1vkh s VAL 206 Ca -0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1vkh s VAL 206 Cb -0.15 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 1vkh s VAL 206 CO 0.04 0.29 0.12 -2.28 0.00 0.00 0.00 175.10 173.28 1vkh s HIS 207 N 0.24 0.08 -0.14 5.22 5.04 -1.05 -0.88 115.29 123.80 1vkh s HIS 207 Ca -0.05 -0.22 -0.12 0.00 -1.54 0.00 0.00 55.06 53.13 1vkh s HIS 207 Cb -0.10 -0.07 -0.05 0.00 0.04 0.00 0.00 32.58 32.40 1vkh s HIS 207 CO 0.01 -0.30 0.26 0.45 -2.34 0.00 0.00 174.74 172.82 1vkh s SER 208 N -1.53 6.45 0.43 9.88 0.15 -1.26 -2.72 113.70 125.10 1vkh s SER 208 Ca -0.13 0.52 0.30 0.00 0.70 0.00 0.00 55.95 57.34 1vkh s SER 208 Cb -0.07 -2.16 1.37 0.00 -1.71 0.00 0.00 66.02 63.46 1vkh s SER 208 CO 0.00 0.20 1.89 1.88 1.20 0.00 0.00 173.24 178.42 1vkh h TYR 209 N 6.08 0.00 -0.28 3.44 0.05 -0.85 -2.32 116.97 123.08 1vkh h TYR 209 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1vkh h TYR 209 Cb 1.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.92 1vkh h TYR 209 CO 0.64 0.00 0.00 0.43 -1.05 0.00 0.00 178.16 178.18 1vkh n SER 210 N -2.64 2.98 -4.62 3.88 7.64 -1.26 -4.91 113.62 114.70 1vkh n SER 210 Ca 0.00 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.53 1vkh n SER 210 Cb 0.19 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.59 6.10 0.21 6.43 -1.08 -0.88 -3.83 116.67 122.03 1vkh s ASP 211 Ca 0.36 1.60 0.24 0.00 -0.52 0.00 0.00 52.55 54.23 1vkh s ASP 211 Cb 0.21 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.50 1vkh s ASP 211 CO 0.30 -1.49 1.40 1.05 0.52 0.00 0.00 175.17 176.95 1vkh h GLU 212 N 12.01 0.00 0.05 4.34 9.09 -1.90 -3.34 114.58 134.82 1vkh h GLU 212 Ca -0.36 0.00 -0.33 0.00 0.05 0.00 0.00 59.36 58.73 1vkh h GLU 212 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.24 1vkh h GLU 212 CO 1.00 0.00 -1.87 -0.11 0.05 0.00 0.00 179.01 178.08 1vkh n LEU 213 N -2.45 1.56 -3.95 3.06 7.94 -1.26 -4.89 117.00 117.01 1vkh n LEU 213 Ca 0.03 0.30 -0.24 0.00 -1.11 0.00 0.00 56.01 54.99 1vkh n LEU 213 Cb 0.48 -0.34 -0.17 0.00 0.53 0.00 0.00 43.42 43.93 1vkh n LEU 213 CO 0.36 0.59 -0.44 -0.76 -1.11 0.00 0.00 177.39 176.02 1vkh s LEU 214 N -6.44 1.39 0.00 -1.96 1.43 -1.25 -5.12 118.68 106.74 1vkh s LEU 214 Ca -0.12 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1vkh s LEU 214 Cb 0.07 -0.74 0.11 0.00 0.03 0.00 0.00 46.19 45.66 1vkh s LEU 214 CO 0.80 -0.04 0.51 0.35 0.23 0.00 0.00 176.35 178.19 1vkh n THR 215 N 4.28 0.00 0.50 5.49 -2.24 -1.26 -4.66 114.28 116.39 1vkh n THR 215 Ca -0.19 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1vkh n THR 215 Cb 0.51 -1.39 0.29 0.00 -2.10 0.00 0.00 70.33 67.63 1vkh n THR 215 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1vkh n LEU 216 N 0.00 0.00 -0.14 3.22 4.77 -1.26 -4.10 117.00 119.48 1vkh n LEU 216 Ca 0.07 0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1vkh n LEU 216 Cb 0.25 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1vkh n LEU 216 CO 0.17 -0.23 0.89 -0.09 -1.33 0.00 0.00 177.39 176.80 1vkh h ARG 217 N 0.00 0.18 -0.50 3.23 2.43 -1.98 0.53 114.38 118.27 1vkh h ARG 217 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1vkh h ARG 217 Cb 0.17 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1vkh h ARG 217 CO 0.00 0.12 0.28 1.96 -1.51 0.00 0.00 179.97 180.82 1vkh h GLN 218 N 0.19 0.54 -0.25 0.20 1.08 -1.92 0.15 115.11 115.11 1vkh h GLN 218 Ca 0.23 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1vkh h GLN 218 Cb 0.32 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1vkh h GLN 218 CO -0.33 0.36 0.06 1.15 -0.95 0.00 0.00 178.83 179.12 1vkh h THR 219 N 0.56 1.21 -0.51 -0.54 2.02 -1.63 -2.03 112.91 111.99 1vkh h THR 219 Ca 0.20 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 1vkh h THR 219 Cb 0.05 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1vkh h THR 219 CO -0.11 0.22 0.01 0.78 0.37 0.00 0.00 175.52 176.79 1vkh h ASN 220 N 0.22 0.82 -0.72 4.18 2.35 -0.50 -0.79 115.58 121.14 1vkh h ASN 220 Ca 0.08 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1vkh h ASN 220 Cb 0.28 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1vkh h ASN 220 CO 0.00 0.87 0.29 0.00 -1.65 0.00 0.00 177.43 176.95 1vkh h LEU 222 N 1.04 0.46 -0.58 0.00 5.85 -1.05 -2.75 115.31 118.28 1vkh h LEU 222 Ca 0.24 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1vkh h LEU 222 Cb 0.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1vkh h LEU 222 CO -0.02 0.68 0.32 0.40 -0.34 0.00 0.00 178.44 179.48 1vkh h ILE 223 N 0.24 0.99 -0.35 4.05 2.04 -0.96 -0.31 117.51 123.21 1vkh h ILE 223 Ca 0.07 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1vkh h ILE 223 Cb 0.45 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1vkh h ILE 223 CO 0.02 0.11 0.21 -1.28 0.00 0.00 0.00 178.15 177.21 1vkh h SER 224 N 0.61 0.36 -0.33 1.72 0.87 -1.16 0.10 113.55 115.73 1vkh h SER 224 Ca 0.25 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1vkh h SER 224 Cb 0.12 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1vkh h SER 224 CO -0.15 0.26 0.18 0.00 -0.53 0.00 0.00 176.83 176.59 1vkh h LEU 226 N 0.41 -0.07 -0.70 0.00 3.38 -0.68 -2.37 115.31 115.28 1vkh h LEU 226 Ca 0.12 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1vkh h LEU 226 Cb 0.05 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1vkh h LEU 226 CO -0.02 -0.00 0.33 1.56 0.09 0.00 0.00 178.44 180.39 1vkh h GLN 227 N 0.18 1.02 -0.44 1.13 4.20 -0.67 -0.65 115.11 119.88 1vkh h GLN 227 Ca 0.23 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.85 1vkh h GLN 227 Cb 0.31 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1vkh h GLN 227 CO -0.33 0.82 0.30 -0.44 -0.67 0.00 0.00 178.83 178.51 1vkh h ASP 228 N 0.99 0.25 -0.54 1.46 3.32 -0.63 -2.14 116.42 119.13 1vkh h ASP 228 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1vkh h ASP 228 Cb 0.14 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1vkh h ASP 228 CO -0.03 0.16 0.00 -1.22 -1.72 0.00 0.00 179.24 176.43 1vkh n TYR 229 N -4.47 0.72 -3.89 4.55 4.02 -0.94 -4.96 117.16 112.19 1vkh n TYR 229 Ca 0.06 -0.36 -0.27 0.00 -0.01 0.00 0.00 57.90 57.32 1vkh n TYR 229 Cb 0.31 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.64 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 1.59 -4.75 -2.99 -0.72 3.00 -0.55 -4.96 117.38 108.01 1vkh n GLN 230 Ca 0.22 0.55 -0.40 0.00 -0.01 0.00 0.00 57.00 57.36 1vkh n GLN 230 Cb 0.62 -5.20 -0.05 0.00 0.00 0.00 0.00 30.24 25.61 1vkh n GLN 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1vkh s LEU 231 N -7.05 4.26 0.29 1.08 1.02 -0.36 -5.03 118.68 112.89 1vkh s LEU 231 Ca 0.37 1.17 -0.29 0.00 0.02 0.00 0.00 54.13 55.39 1vkh s LEU 231 Cb -0.19 -3.13 -0.10 0.00 0.02 0.00 0.00 46.19 42.80 1vkh s LEU 231 CO 0.84 -0.22 1.26 -0.55 0.02 0.00 0.00 176.35 177.70 1vkh s SER 232 N 0.96 6.92 0.13 2.29 0.15 -1.26 -4.65 113.70 118.23 1vkh s SER 232 Ca 0.37 2.52 -0.24 0.00 0.70 0.00 0.00 55.95 59.30 1vkh s SER 232 Cb -0.17 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.58 1vkh s SER 232 CO 0.16 -0.44 0.71 0.72 1.20 0.00 0.00 173.24 175.59 1vkh s PHE 233 N -0.84 -0.43 0.03 3.44 -0.71 -1.26 -5.01 117.98 113.20 1vkh s PHE 233 Ca 0.50 0.21 0.06 0.00 -1.04 0.00 0.00 56.93 56.66 1vkh s PHE 233 Cb -0.37 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1vkh s PHE 233 CO 0.47 -0.81 -0.16 0.15 -1.34 0.00 0.00 175.22 173.53 1vkh s LYS 234 N -3.58 2.20 -0.02 1.99 1.02 -1.26 -5.03 119.74 115.07 1vkh s LYS 234 Ca 0.04 -0.91 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1vkh s LYS 234 Cb -0.02 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1vkh s LYS 234 CO -0.09 0.56 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.50 1vkh s LEU 235 N -1.37 2.04 -0.17 3.17 2.96 -1.26 -0.46 118.68 123.60 1vkh s LEU 235 Ca 0.15 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1vkh s LEU 235 Cb -0.11 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.44 1vkh s LEU 235 CO 0.05 0.28 0.02 -0.47 -1.32 0.00 0.00 176.35 174.91 1vkh s TYR 236 N -0.52 1.04 -0.10 5.38 5.04 -0.13 -4.95 117.35 123.11 1vkh s TYR 236 Ca 0.08 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 1vkh s TYR 236 Cb -0.09 -1.02 -0.03 0.00 0.35 0.00 0.00 41.96 41.17 1vkh s TYR 236 CO -0.01 -0.55 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.09 1vkh s LEU 237 N 1.85 3.24 0.28 6.97 1.43 -1.26 -2.54 118.68 128.65 1vkh s LEU 237 Ca 0.00 -0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1vkh s LEU 237 Cb -0.16 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1vkh s LEU 237 CO -0.07 0.30 0.77 -0.62 0.23 0.00 0.00 176.35 176.95 1vkh s ASP 238 N -0.42 -0.20 -0.70 2.29 -1.08 -1.10 -5.02 116.67 110.45 1vkh s ASP 238 Ca 0.06 -0.68 -0.27 0.00 -0.52 0.00 0.00 52.55 51.14 1vkh s ASP 238 Cb -0.12 0.72 0.03 0.00 -1.46 0.00 0.00 42.92 42.08 1vkh s ASP 238 CO 0.02 -1.35 1.31 -0.62 0.52 0.00 0.00 175.17 175.05 1vkh s ASP 239 N -2.96 6.15 -0.05 -0.34 2.15 -1.26 -0.14 116.67 120.22 1vkh s ASP 239 Ca 0.12 -0.29 0.08 0.00 0.43 0.00 0.00 52.55 52.89 1vkh s ASP 239 Cb -0.05 -2.56 0.18 0.00 -0.30 0.00 0.00 42.92 40.19 1vkh s ASP 239 CO 0.07 -1.81 1.12 0.18 -0.17 0.00 0.00 175.17 174.56 1vkh n LEU 240 N 9.45 2.43 0.00 -1.34 4.77 -1.26 -4.95 117.00 126.10 1vkh n LEU 240 Ca 0.05 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1vkh n LEU 240 Cb 0.49 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1vkh n LEU 240 CO 0.71 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 1vkh n GLY 241 N -0.57 0.39 3.55 -0.72 0.00 -1.26 -3.72 105.19 102.86 1vkh n GLY 241 Ca 0.08 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.05 1.05 0.16 0.99 1.43 -1.25 -3.12 118.68 117.89 1vkh s LEU 242 Ca 0.00 1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 54.28 1vkh s LEU 242 Cb 0.00 -3.38 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1vkh s LEU 242 CO 0.00 -3.88 1.62 -0.74 0.23 0.00 0.00 176.35 173.57 1vkh h HIS 243 N -2.40 -0.73 -0.22 0.29 -0.00 -1.90 -0.12 115.15 110.07 1vkh h HIS 243 Ca -0.60 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 1vkh h HIS 243 Cb 1.33 0.37 0.00 0.00 -0.00 0.00 0.00 27.41 29.12 1vkh h HIS 243 CO 0.27 -0.34 0.00 0.09 -0.00 0.00 0.00 177.93 177.95 1vkh n ASN 244 N -5.40 1.20 -0.00 3.26 3.02 -1.26 -3.15 115.26 112.93 1vkh n ASN 244 Ca 0.01 -2.01 0.09 0.00 -0.03 0.00 0.00 54.58 52.64 1vkh n ASN 244 Cb 0.32 -0.15 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.14 0.79 -0.22 6.41 8.00 -0.08 -4.62 116.55 126.97 1vkh n ASP 245 Ca 0.07 -0.49 -0.04 0.00 0.71 0.00 0.00 54.79 55.05 1vkh n ASP 245 Cb 0.19 1.40 0.07 0.00 -0.02 0.00 0.00 41.12 42.77 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 1.05 0.00 2.53 2.07 -1.44 -1.10 116.25 119.36 1vkh h VAL 246 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1vkh h VAL 246 Cb 0.63 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1vkh h VAL 246 CO 0.00 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1vkh n TYR 247 N -4.73 0.00 0.34 1.57 0.18 -1.26 -1.95 117.16 111.30 1vkh n TYR 247 Ca 0.07 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.92 1vkh n TYR 247 Cb 0.10 -0.13 0.11 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 -1.13 1.70 -2.80 -3.48 5.02 -0.43 -4.31 118.16 112.72 1vkh n LYS 248 Ca 0.16 -1.70 -0.41 0.00 -2.02 0.00 0.00 58.31 54.34 1vkh n LYS 248 Cb 0.14 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.18 7.32 0.52 4.39 3.84 -0.82 -4.77 114.94 124.24 1vkh s ASN 249 Ca 0.23 1.59 0.22 0.00 0.21 0.00 0.00 52.86 55.10 1vkh s ASN 249 Cb 0.14 -2.54 1.40 0.00 -0.55 0.00 0.00 41.25 39.71 1vkh s ASN 249 CO 0.20 -0.16 2.12 1.23 -2.79 0.00 0.00 177.10 177.70 1vkh h GLY 250 N 6.41 0.00 1.77 1.21 0.00 -1.94 -1.51 103.07 109.00 1vkh h GLY 250 Ca -0.42 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1vkh h GLY 250 CO 0.74 0.00 -0.31 0.50 0.00 0.00 0.00 176.54 177.47 1vkh h LYS 251 N 0.00 0.27 -0.24 4.80 1.57 -1.96 -0.72 116.57 120.30 1vkh h LYS 251 Ca -0.00 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1vkh h LYS 251 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1vkh h LYS 251 CO 0.01 0.56 -0.14 0.28 -0.57 0.00 0.00 179.45 179.60 1vkh h VAL 252 N 0.24 1.31 -0.21 0.50 2.07 -1.60 -0.66 116.25 117.89 1vkh h VAL 252 Ca 0.03 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.36 1vkh h VAL 252 Cb 0.68 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1vkh h VAL 252 CO 0.05 0.38 0.01 0.00 0.02 0.00 0.00 177.57 178.03 1vkh h ALA 253 N 0.71 0.18 -0.68 1.67 0.00 -1.33 -1.05 119.26 118.78 1vkh h ALA 253 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1vkh h ALA 253 Cb 0.65 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1vkh h ALA 253 CO 0.04 -0.42 0.42 -0.22 0.00 0.00 0.00 179.25 179.07 1vkh h LYS 254 N 0.08 0.91 -0.56 0.00 3.64 -1.05 -2.12 116.57 117.47 1vkh h LYS 254 Ca 0.10 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1vkh h LYS 254 Cb 0.12 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1vkh h LYS 254 CO -0.16 0.63 0.31 -0.92 -2.27 0.00 0.00 179.45 177.05 1vkh h TYR 255 N 0.92 0.58 0.11 1.91 3.20 -0.35 -0.45 116.97 122.89 1vkh h TYR 255 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1vkh h TYR 255 Cb -0.06 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1vkh h TYR 255 CO -0.02 0.31 -0.05 0.82 -1.64 0.00 0.00 178.16 177.57 1vkh h ILE 256 N 0.61 1.03 -0.42 1.81 2.04 -1.02 -2.15 117.51 119.42 1vkh h ILE 256 Ca 0.24 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1vkh h ILE 256 Cb 0.09 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1vkh h ILE 256 CO -0.13 0.14 0.27 0.15 0.00 0.00 0.00 178.15 178.58 1vkh h PHE 257 N -0.42 0.53 0.00 1.37 3.57 -1.19 -1.75 116.94 119.05 1vkh h PHE 257 Ca -0.02 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1vkh h PHE 257 Cb 0.34 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1vkh h PHE 257 CO 0.01 0.35 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.90 1vkh h ASP 258 N 0.56 0.00 -0.25 0.41 3.32 -1.05 -2.68 116.42 116.73 1vkh h ASP 258 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1vkh h ASP 258 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1vkh h ASP 258 CO -0.03 0.10 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 1vkh n ASN 259 N -3.35 2.50 -4.35 6.45 3.02 -0.70 -4.47 115.26 114.36 1vkh n ASN 259 Ca -0.01 -1.85 -0.46 0.00 -0.03 0.00 0.00 54.58 52.24 1vkh n ASN 259 Cb 0.30 -0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.68 5.72 0.00 2.41 1.01 -0.94 -5.05 121.20 122.67 1vkh s ILE 260 Ca 0.35 -2.85 0.00 0.00 0.00 0.00 0.00 60.65 58.15 1vkh s ILE 260 Cb 0.20 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1vkh s ILE 260 CO 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 174.94 174.09