#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kki s VAL 10 N 0.00 5.31 -0.20 2.41 1.01 -1.26 -4.87 120.40 122.80 2kki s VAL 10 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2kki s VAL 10 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2kki s VAL 10 CO 0.00 0.41 0.12 -0.75 0.00 0.00 0.00 175.10 174.88 2kki s LYS 11 N 0.31 4.14 -0.36 2.72 2.47 -1.25 -5.02 119.74 122.76 2kki s LYS 11 Ca 0.16 -0.24 -0.10 0.00 -1.56 0.00 0.00 55.97 54.23 2kki s LYS 11 Cb -0.13 -3.38 0.02 0.00 -1.46 0.00 0.00 37.83 32.88 2kki s LYS 11 CO 0.04 0.30 0.17 0.71 0.16 0.00 0.00 175.35 176.73 2kki s TYR 12 N 0.34 3.23 -0.42 4.03 1.51 -1.26 0.28 117.35 125.07 2kki s TYR 12 Ca 0.07 -1.00 -0.04 0.00 -1.01 0.00 0.00 57.07 55.08 2kki s TYR 12 Cb -0.11 -2.39 0.11 0.00 -0.11 0.00 0.00 41.96 39.46 2kki s TYR 12 CO -0.02 -0.64 0.23 -0.80 -1.11 0.00 0.00 175.55 173.21 2kki s ASN 13 N 1.53 5.35 -0.19 2.29 -0.87 0.56 -4.67 114.94 118.94 2kki s ASN 13 Ca 0.02 -1.94 -0.20 0.00 -1.57 0.00 0.00 52.86 49.17 2kki s ASN 13 Cb -0.19 -1.87 -0.03 0.00 -0.02 0.00 0.00 41.25 39.14 2kki s ASN 13 CO 0.06 -0.56 0.60 0.72 -2.57 0.00 0.00 177.10 175.35 2kki s PHE 14 N 1.21 3.38 0.00 2.20 -0.71 -0.15 -3.35 117.98 120.56 2kki s PHE 14 Ca 0.07 0.90 0.00 0.00 -1.04 0.00 0.00 56.93 56.86 2kki s PHE 14 Cb -0.23 -2.77 0.00 0.00 -1.21 0.00 0.00 43.02 38.81 2kki s PHE 14 CO -0.03 -0.14 0.00 -0.12 -1.34 0.00 0.00 175.22 173.59 2kki n MET 15 N 4.92 0.00 -3.59 1.99 1.56 -1.03 -3.39 117.12 117.57 2kki n MET 15 Ca -0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.32 2kki n MET 15 Cb 0.50 -0.15 -0.05 0.00 2.15 0.00 0.00 33.22 35.67 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 -0.73 0.00 0.00 175.97 174.26 2kki s ARG 16 N -0.79 0.47 -0.24 2.12 1.04 -0.51 -4.98 118.95 116.07 2kki s ARG 16 Ca 0.00 0.12 -0.29 0.00 -1.04 0.00 0.00 55.73 54.52 2kki s ARG 16 Cb 0.00 0.22 0.01 0.00 -2.04 0.00 0.00 34.95 33.14 2kki s ARG 16 CO 0.00 -0.15 1.11 0.96 -0.04 0.00 0.00 175.30 177.18 2kki s ILE 17 N -1.07 4.53 0.00 4.99 -4.36 -1.26 -0.40 121.20 123.63 2kki s ILE 17 Ca 0.01 1.83 0.00 0.00 -0.26 0.00 0.00 60.65 62.22 2kki s ILE 17 Cb -0.01 -4.27 0.00 0.00 1.25 0.00 0.00 42.46 39.43 2kki s ILE 17 CO -0.01 -0.26 0.00 -0.38 0.24 0.00 0.00 174.94 174.53 2kki n ILE 18 N 5.52 0.00 -4.86 8.37 5.41 -0.73 -4.92 119.36 128.16 2kki n ILE 18 Ca 0.13 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.60 2kki n ILE 18 Cb 0.46 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.24 2kki n ILE 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2kki s LYS 19 N 2.14 1.60 0.11 0.38 -0.14 -1.23 -4.92 119.74 117.68 2kki s LYS 19 Ca 0.00 -0.89 -0.24 0.00 -1.36 0.00 0.00 55.97 53.48 2kki s LYS 19 Cb 0.00 -1.65 0.08 0.00 -1.68 0.00 0.00 37.83 34.58 2kki s LYS 19 CO 0.00 0.44 1.13 0.71 -0.76 0.00 0.00 175.35 176.86 2kki s TYR 20 N -0.67 0.06 -0.41 3.18 2.02 -1.26 -3.72 117.35 116.54 2kki s TYR 20 Ca 0.08 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2kki s TYR 20 Cb -0.09 0.65 0.00 0.00 -0.40 0.00 0.00 41.96 42.13 2kki s TYR 20 CO 0.01 -0.70 0.36 -1.91 -1.57 0.00 0.00 175.55 171.74 2kki n GLU 21 N -0.77 -2.41 -3.92 -0.62 2.13 0.23 -4.95 120.64 110.33 2kki n GLU 21 Ca -0.01 0.26 -0.21 0.00 0.66 0.00 0.00 57.16 57.86 2kki n GLU 21 Cb 0.59 -3.56 -0.04 0.00 0.27 0.00 0.00 31.44 28.70 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2kki s PHE 22 N -3.10 2.95 -0.11 4.31 0.08 -1.25 -4.93 117.98 115.93 2kki s PHE 22 Ca 0.14 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.82 2kki s PHE 22 Cb -0.06 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 2kki s PHE 22 CO 0.23 0.29 0.30 0.42 -0.10 0.00 0.00 175.22 176.36 2kki s ILE 23 N -2.26 5.27 -0.27 0.64 -1.09 0.17 -3.21 121.20 120.45 2kki s ILE 23 Ca 0.38 0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 59.25 2kki s ILE 23 Cb -0.06 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 2kki s ILE 23 CO 0.26 0.48 0.24 -0.22 -1.23 0.00 0.00 174.94 174.47 2kki s LEU 24 N -0.21 4.04 0.01 2.97 0.20 -1.26 -1.33 118.68 123.10 2kki s LEU 24 Ca 0.18 0.09 0.02 0.00 0.69 0.00 0.00 54.13 55.12 2kki s LEU 24 Cb -0.14 -2.21 -0.01 0.00 -0.43 0.00 0.00 46.19 43.40 2kki s LEU 24 CO 0.06 -0.08 -0.08 0.21 -0.29 0.00 0.00 176.35 176.18 2kki s ASN 25 N 1.66 0.93 0.64 3.68 3.84 -1.12 -1.00 114.94 123.57 2kki s ASN 25 Ca 0.09 -0.25 -0.00 0.00 0.21 0.00 0.00 52.86 52.91 2kki s ASN 25 Cb -0.16 -0.07 0.10 0.00 -0.55 0.00 0.00 41.25 40.58 2kki s ASN 25 CO 0.10 0.02 0.72 -0.90 -2.79 0.00 0.00 177.10 174.25 2kki n ASP 26 N 2.49 0.96 0.21 -4.21 5.75 -1.23 0.10 116.55 120.62 2kki n ASP 26 Ca -0.16 -1.81 0.15 0.00 -0.01 0.00 0.00 54.79 52.96 2kki n ASP 26 Cb 0.57 -0.47 0.60 0.00 -1.03 0.00 0.00 41.12 40.79 2kki n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kki h ALA 27 N -0.58 1.00 0.00 2.12 0.00 -1.86 0.33 119.26 120.27 2kki h ALA 27 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kki h ALA 27 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kki h ALA 27 CO 0.25 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2kki n LEU 28 N -2.69 0.23 -3.36 0.00 4.77 -1.26 -4.95 117.00 109.74 2kki n LEU 28 Ca 0.01 0.53 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 2kki n LEU 28 Cb 0.27 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2kki n LEU 28 CO 0.24 -0.09 -0.00 0.59 -1.33 0.00 0.00 177.39 176.80 2kki n ASN 29 N -1.72 -6.42 -3.78 -1.43 3.02 0.12 -4.96 115.26 100.08 2kki n ASN 29 Ca 0.06 -0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 54.02 2kki n ASN 29 Cb 0.34 -3.47 -0.16 0.00 -0.61 0.00 0.00 39.78 35.88 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kki s GLN 30 N -3.56 0.84 -0.03 3.52 -1.52 -1.26 -3.81 119.66 113.84 2kki s GLN 30 Ca 0.10 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 2kki s GLN 30 Cb -0.02 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.71 2kki s GLN 30 CO 0.82 -0.57 1.52 -1.12 -0.25 0.00 0.00 175.29 175.69 2kki s SER 31 N 1.80 6.76 -0.55 5.90 0.01 0.11 -3.50 113.70 124.23 2kki s SER 31 Ca -0.01 2.17 -0.28 0.00 1.31 0.00 0.00 55.95 59.14 2kki s SER 31 Cb -0.16 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.53 2kki s SER 31 CO -0.07 -0.83 1.49 0.27 0.41 0.00 0.00 173.24 174.51 2kki s ILE 32 N 3.17 3.72 0.14 1.44 -4.36 -0.17 -0.92 121.20 124.22 2kki s ILE 32 Ca 0.68 0.61 0.02 0.00 -0.26 0.00 0.00 60.65 61.70 2kki s ILE 32 Cb -0.32 -4.33 -0.04 0.00 1.25 0.00 0.00 42.46 39.02 2kki s ILE 32 CO 0.27 -1.08 0.28 -0.63 0.24 0.00 0.00 174.94 174.02 2kki s ILE 33 N 6.40 5.33 -0.37 8.37 1.01 0.08 -3.04 121.20 138.97 2kki s ILE 33 Ca 0.56 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.32 2kki s ILE 33 Cb -0.12 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2kki s ILE 33 CO 0.25 -0.06 0.96 -0.60 0.00 0.00 0.00 174.94 175.49 2kki s ARG 34 N -3.14 3.85 -0.11 2.79 3.52 -1.26 -1.70 118.95 122.91 2kki s ARG 34 Ca 0.35 0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 56.53 2kki s ARG 34 Cb -0.11 -3.81 -0.26 0.00 -1.56 0.00 0.00 34.95 29.21 2kki s ARG 34 CO 0.28 -0.99 0.41 0.00 -0.81 0.00 0.00 175.30 174.20 2kki n ALA 35 N 6.88 0.93 -2.30 6.12 0.00 -1.17 -4.94 120.51 126.03 2kki n ALA 35 Ca 0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 2kki n ALA 35 Cb 0.48 -0.71 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 2kki n ALA 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kki s ASN 36 N -6.97 0.30 0.00 0.00 -0.87 -0.19 -5.01 114.94 102.20 2kki s ASN 36 Ca -0.20 -0.95 0.23 0.00 -1.57 0.00 0.00 52.86 50.36 2kki s ASN 36 Cb 0.07 0.29 1.33 0.00 -0.02 0.00 0.00 41.25 42.91 2kki s ASN 36 CO 0.78 -0.70 1.73 0.47 -2.57 0.00 0.00 177.10 176.81 2kki n ASP 37 N -0.02 0.00 -0.00 -1.22 8.00 -1.26 -2.73 116.55 119.31 2kki n ASP 37 Ca -0.11 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.77 2kki n ASP 37 Cb 0.62 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki n GLN 38 N -1.04 1.73 -4.87 -1.24 6.02 -1.26 -4.65 117.38 112.07 2kki n GLN 38 Ca 0.16 -0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.87 2kki n GLN 38 Cb 0.09 -1.02 -0.17 0.00 1.02 0.00 0.00 30.24 30.17 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2kki s TYR 39 N -2.04 1.90 -0.08 1.08 2.02 -1.11 -3.92 117.35 115.19 2kki s TYR 39 Ca -0.00 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 2kki s TYR 39 Cb 0.00 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 2kki s TYR 39 CO 0.03 -0.28 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.34 2kki s LEU 40 N 0.35 1.99 -0.05 -1.29 0.20 -1.26 -1.03 118.68 117.60 2kki s LEU 40 Ca -0.12 -0.49 0.06 0.00 0.69 0.00 0.00 54.13 54.26 2kki s LEU 40 Cb -0.15 -1.27 -0.02 0.00 -0.43 0.00 0.00 46.19 44.33 2kki s LEU 40 CO 0.05 0.15 -0.23 -0.89 -0.29 0.00 0.00 176.35 175.13 2kki s THR 41 N 0.32 2.24 0.03 3.68 2.01 -0.69 -0.06 115.64 123.17 2kki s THR 41 Ca -0.15 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.65 2kki s THR 41 Cb -0.17 -1.82 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 2kki s THR 41 CO 0.07 0.57 0.52 0.00 -0.69 0.00 0.00 174.62 175.10 2kki s ALA 42 N -0.33 3.59 -0.14 7.40 0.00 -1.26 -0.74 121.76 130.29 2kki s ALA 42 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 2kki s ALA 42 Cb -0.12 -2.59 0.05 0.00 0.00 0.00 0.00 23.12 20.45 2kki s ALA 42 CO 0.02 0.36 0.34 0.00 0.00 0.00 0.00 175.76 176.48 2kki s ALA 43 N -0.83 -0.85 0.07 0.00 0.00 -0.10 -4.57 121.76 115.49 2kki s ALA 43 Ca 0.28 1.19 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 2kki s ALA 43 Cb -0.18 -0.72 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 2kki s ALA 43 CO 0.17 -0.21 1.90 0.00 0.00 0.00 0.00 175.76 177.62 2kki n ALA 44 N 3.77 1.84 -1.79 0.00 0.00 -1.25 0.07 120.51 123.15 2kki n ALA 44 Ca -0.20 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.18 2kki n ALA 44 Cb 0.55 -2.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 2kki n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kki s LEU 45 N 3.58 3.49 0.00 0.00 2.01 -1.26 -4.80 118.68 121.71 2kki s LEU 45 Ca 0.86 1.60 0.00 0.00 0.01 0.00 0.00 54.13 56.59 2kki s LEU 45 Cb -0.47 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.22 2kki s LEU 45 CO 0.40 -0.82 0.00 1.57 1.01 0.00 0.00 176.35 178.52 2kki n HIS 46 N -2.00 0.00 1.29 0.29 -0.00 -1.26 -4.65 115.22 108.90 2kki n HIS 46 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.92 2kki n HIS 46 Cb 0.54 0.00 0.36 0.00 -0.00 0.00 0.00 29.99 30.89 2kki n HIS 46 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2kki n ASN 47 N -0.15 1.67 0.00 0.26 4.13 -1.26 -4.98 115.26 114.93 2kki n ASN 47 Ca 0.00 -1.41 0.00 0.00 1.68 0.00 0.00 54.58 54.85 2kki n ASN 47 Cb 0.00 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2kki n LEU 48 N 0.12 0.00 -4.49 3.41 4.77 -1.26 -3.42 117.00 116.13 2kki n LEU 48 Ca 0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 2kki n LEU 48 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2kki n LEU 48 CO 0.20 0.00 1.24 -0.62 -1.33 0.00 0.00 177.39 176.88 2kki s ASP 49 N 0.00 6.70 0.00 -1.43 -1.08 -1.26 -4.25 116.67 115.35 2kki s ASP 49 Ca 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 52.55 49.89 2kki s ASP 49 Cb 0.00 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 2kki s ASP 49 CO 0.00 -1.10 0.00 1.21 0.52 0.00 0.00 175.17 175.80 2kki n GLU 50 N 7.00 1.05 -1.82 4.34 4.07 -1.26 -5.00 120.64 129.01 2kki n GLU 50 Ca 0.30 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.09 2kki n GLU 50 Cb 0.48 -0.35 0.02 0.00 -0.06 0.00 0.00 31.44 31.53 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kki s ALA 51 N -0.75 3.00 0.14 4.31 0.00 -1.26 -4.96 121.76 122.24 2kki s ALA 51 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2kki s ALA 51 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 2kki s ALA 51 CO 0.00 -0.84 1.28 0.14 0.00 0.00 0.00 175.76 176.34 2kki s VAL 52 N -3.18 3.51 -0.14 0.00 -7.23 -1.17 -4.87 120.40 107.33 2kki s VAL 52 Ca 0.56 1.16 -0.15 0.00 -1.81 0.00 0.00 61.98 61.74 2kki s VAL 52 Cb -0.11 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.04 2kki s VAL 52 CO 0.54 0.13 0.36 -0.54 -0.31 0.00 0.00 175.10 175.28 2kki s LYS 53 N 0.49 4.25 0.48 4.82 1.02 -1.26 -4.37 119.74 125.17 2kki s LYS 53 Ca 0.59 0.23 0.07 0.00 0.02 0.00 0.00 55.97 56.87 2kki s LYS 53 Cb -0.34 -3.41 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2kki s LYS 53 CO 0.33 0.25 0.65 -0.06 -0.92 0.00 0.00 175.35 175.60 2kki s PHE 54 N 0.40 2.49 -0.03 3.18 0.40 -1.20 -0.09 117.98 123.13 2kki s PHE 54 Ca 0.20 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 56.11 2kki s PHE 54 Cb -0.14 -2.41 0.03 0.00 0.51 0.00 0.00 43.02 41.01 2kki s PHE 54 CO 0.06 -0.66 0.02 0.34 0.70 0.00 0.00 175.22 175.68 2kki s ASP 55 N -4.43 0.59 -0.09 1.36 2.15 0.34 0.75 116.67 117.33 2kki s ASP 55 Ca 0.57 0.00 0.01 0.00 0.43 0.00 0.00 52.55 53.56 2kki s ASP 55 Cb -0.09 -0.19 -0.02 0.00 -0.30 0.00 0.00 42.92 42.31 2kki s ASP 55 CO 0.35 -0.14 -0.10 -0.04 -0.17 0.00 0.00 175.17 175.07 2kki s MET 56 N 1.34 2.93 -0.03 4.34 -1.94 -1.23 -2.79 119.30 121.92 2kki s MET 56 Ca -0.05 -0.62 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 2kki s MET 56 Cb -0.13 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.17 2kki s MET 56 CO -0.03 0.50 0.06 0.20 -0.01 0.00 0.00 175.02 175.74 2kki s GLY 57 N -0.39 0.07 0.23 -0.03 0.00 -1.24 -1.77 107.32 104.19 2kki s GLY 57 Ca 0.05 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.96 2kki s GLY 57 CO 0.02 0.77 0.74 0.00 0.00 0.00 0.00 173.10 174.63 2kki s ALA 58 N 1.10 3.40 0.06 3.20 0.00 0.47 -1.21 121.76 128.78 2kki s ALA 58 Ca -0.09 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.08 2kki s ALA 58 Cb -0.13 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2kki s ALA 58 CO -0.04 0.32 -0.09 1.52 0.00 0.00 0.00 175.76 177.48 2kki s TYR 59 N -1.52 0.79 -0.03 0.00 1.13 -0.17 -1.42 117.35 116.13 2kki s TYR 59 Ca 0.43 -0.56 -0.01 0.00 -1.41 0.00 0.00 57.07 55.52 2kki s TYR 59 Cb -0.17 -0.46 0.03 0.00 -1.10 0.00 0.00 41.96 40.26 2kki s TYR 59 CO 0.21 -0.07 0.03 0.21 -2.51 0.00 0.00 175.55 173.42 2kki s LYS 60 N -1.98 0.10 0.07 -3.49 2.20 -1.22 -4.23 119.74 111.19 2kki s LYS 60 Ca -0.05 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2kki s LYS 60 Cb -0.08 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 2kki s LYS 60 CO -0.00 -0.23 0.00 -1.54 -0.36 0.00 0.00 175.35 173.22 2kki s SER 61 N 1.55 0.43 -0.22 1.43 1.04 -1.26 -3.93 113.70 112.74 2kki s SER 61 Ca -0.03 -1.02 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 2kki s SER 61 Cb -0.13 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2kki s SER 61 CO -0.03 -0.63 2.88 -1.20 0.98 0.00 0.00 173.24 175.23 2kki n SER 62 N 0.06 5.91 -1.09 7.02 7.64 -1.26 -3.68 113.62 128.23 2kki n SER 62 Ca -0.12 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 56.92 2kki n SER 62 Cb 0.62 -1.26 0.14 0.00 -1.01 0.00 0.00 64.21 62.70 2kki n SER 62 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kki n LYS 63 N 1.44 1.73 0.00 1.43 4.81 -1.26 -4.99 118.16 121.32 2kki n LYS 63 Ca 0.39 -3.28 0.00 0.00 -0.87 0.00 0.00 58.31 54.54 2kki n LYS 63 Cb 0.68 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.23 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kki n ASP 64 N -0.78 0.00 0.00 3.14 8.00 -1.24 -5.02 116.55 120.65 2kki n ASP 64 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2kki n ASP 64 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2kki n ASP 64 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kki n ASP 65 N 0.00 0.00 -0.36 -2.24 2.03 -1.26 -4.94 116.55 109.78 2kki n ASP 65 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2kki n ASP 65 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kki n ALA 66 N -1.52 2.17 -3.00 -1.67 0.00 -1.26 -5.08 120.51 110.14 2kki n ALA 66 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 53.44 51.54 2kki n ALA 66 Cb 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 2kki n ALA 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kki s LYS 67 N -1.28 0.27 0.07 0.00 1.02 -1.26 -5.15 119.74 113.42 2kki s LYS 67 Ca 0.16 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2kki s LYS 67 Cb 0.14 0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2kki s LYS 67 CO 0.00 -0.05 0.14 0.96 -0.92 0.00 0.00 175.35 175.48 2kki s ILE 68 N -0.87 4.95 -0.15 2.17 -4.36 -1.26 -4.73 121.20 116.95 2kki s ILE 68 Ca -0.10 -0.58 -0.04 0.00 -0.26 0.00 0.00 60.65 59.67 2kki s ILE 68 Cb -0.06 -3.40 -0.03 0.00 1.25 0.00 0.00 42.46 40.22 2kki s ILE 68 CO 0.00 0.13 -0.01 -0.89 0.24 0.00 0.00 174.94 174.41 2kki s THR 69 N -1.45 4.11 0.30 8.37 2.01 -1.26 -3.29 115.64 124.44 2kki s THR 69 Ca 0.32 -0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.12 2kki s THR 69 Cb -0.13 -2.80 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 2kki s THR 69 CO 0.25 0.51 -0.10 0.68 -0.69 0.00 0.00 174.62 175.27 2kki s VAL 70 N 0.14 2.01 -0.20 3.82 -7.23 -0.36 -1.00 120.40 117.59 2kki s VAL 70 Ca 0.00 -2.20 -0.08 0.00 -1.81 0.00 0.00 61.98 57.89 2kki s VAL 70 Cb -0.13 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2kki s VAL 70 CO 0.02 -0.29 0.07 -0.51 -0.31 0.00 0.00 175.10 174.09 2kki s ILE 71 N -2.77 4.79 -0.32 -0.62 1.10 -0.35 -3.03 121.20 120.00 2kki s ILE 71 Ca 0.30 -0.03 -0.07 0.00 -0.51 0.00 0.00 60.65 60.35 2kki s ILE 71 Cb 0.02 -3.18 0.03 0.00 0.15 0.00 0.00 42.46 39.48 2kki s ILE 71 CO 0.14 0.43 0.09 -0.22 -2.11 0.00 0.00 174.94 173.28 2kki s LEU 72 N 0.60 4.13 0.05 8.50 2.96 -1.26 -3.49 118.68 130.18 2kki s LEU 72 Ca 0.04 -0.98 0.01 0.00 -0.22 0.00 0.00 54.13 52.98 2kki s LEU 72 Cb -0.13 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2kki s LEU 72 CO 0.01 -0.28 -0.06 0.00 -1.32 0.00 0.00 176.35 174.71 2kki s ARG 73 N 1.44 0.59 -0.09 1.98 1.70 -1.12 -3.08 118.95 120.37 2kki s ARG 73 Ca -0.00 -0.97 -0.27 0.00 -0.47 0.00 0.00 55.73 54.02 2kki s ARG 73 Cb -0.19 -0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.07 2kki s ARG 73 CO 0.03 -0.02 0.88 0.96 -1.08 0.00 0.00 175.30 176.07 2kki s ILE 74 N -2.47 4.89 0.62 4.99 -4.36 -1.18 0.13 121.20 123.80 2kki s ILE 74 Ca -0.02 1.80 0.28 0.00 -0.26 0.00 0.00 60.65 62.45 2kki s ILE 74 Cb -0.03 -4.21 0.35 0.00 1.25 0.00 0.00 42.46 39.82 2kki s ILE 74 CO -0.03 0.10 1.86 0.77 0.24 0.00 0.00 174.94 177.88 2kki h SER 75 N 7.03 0.00 0.00 4.36 4.64 -0.72 -3.20 113.55 125.66 2kki h SER 75 Ca -0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2kki h SER 75 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2kki h SER 75 CO 0.80 0.00 -0.11 0.11 -0.87 0.00 0.00 176.83 176.76 2kki h LYS 76 N 0.00 0.00 -5.93 4.77 1.79 -1.91 -3.47 116.57 111.81 2kki h LYS 76 Ca 0.15 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.06 2kki h LYS 76 Cb 1.08 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.66 2kki h LYS 76 CO -0.00 0.39 -0.47 0.99 -1.08 0.00 0.00 179.45 179.27 2kki s THR 77 N -1.87 2.32 -1.12 -0.16 2.01 -1.21 -5.04 115.64 110.57 2kki s THR 77 Ca -0.09 -1.63 -0.06 0.00 0.31 0.00 0.00 61.69 60.21 2kki s THR 77 Cb -0.01 -2.96 0.28 0.00 0.01 0.00 0.00 72.50 69.83 2kki s THR 77 CO 0.28 0.00 1.47 0.00 -0.69 0.00 0.00 174.62 175.68 2kki n GLN 78 N -1.31 4.16 -3.55 4.92 1.13 -1.26 -4.24 117.38 117.24 2kki n GLN 78 Ca -0.01 -4.38 -0.39 0.00 -1.94 0.00 0.00 57.00 50.28 2kki n GLN 78 Cb 0.64 -2.59 -0.11 0.00 0.11 0.00 0.00 30.24 28.29 2kki n GLN 78 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2kki s LEU 79 N -2.02 4.20 0.15 1.08 2.96 -1.26 -3.16 118.68 120.63 2kki s LEU 79 Ca 0.33 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 2kki s LEU 79 Cb 0.02 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2kki s LEU 79 CO 0.06 -0.13 0.12 -0.31 -1.32 0.00 0.00 176.35 174.77 2kki s TYR 80 N 1.79 3.14 -0.29 5.38 1.51 0.24 -3.11 117.35 126.01 2kki s TYR 80 Ca 0.08 -0.01 -0.24 0.00 -1.01 0.00 0.00 57.07 55.88 2kki s TYR 80 Cb -0.16 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 2kki s TYR 80 CO 0.11 0.52 0.82 0.08 -1.11 0.00 0.00 175.55 175.97 2kki s VAL 81 N -1.70 4.78 -0.11 0.71 1.01 -1.18 -0.82 120.40 123.09 2kki s VAL 81 Ca 0.31 1.33 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 2kki s VAL 81 Cb -0.10 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2kki s VAL 81 CO 0.23 -0.22 0.17 0.28 0.00 0.00 0.00 175.10 175.56 2kki s THR 82 N 2.97 5.46 -0.29 3.92 -1.32 -0.65 -2.27 115.64 123.45 2kki s THR 82 Ca 0.34 0.27 -0.11 0.00 -1.21 0.00 0.00 61.69 60.98 2kki s THR 82 Cb -0.14 -3.43 -0.03 0.00 -1.51 0.00 0.00 72.50 67.38 2kki s THR 82 CO 0.11 0.61 0.18 0.00 -2.21 0.00 0.00 174.62 173.30 2kki s ALA 83 N -0.96 3.42 0.00 11.08 0.00 -1.11 -3.20 121.76 130.99 2kki s ALA 83 Ca 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2kki s ALA 83 Cb -0.12 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.56 2kki s ALA 83 CO 0.05 -0.69 0.00 0.94 0.00 0.00 0.00 175.76 176.06 2kki n GLN 84 N 5.04 0.00 -3.55 0.00 -0.06 -1.26 -4.97 117.38 112.57 2kki n GLN 84 Ca -0.14 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.61 2kki n GLN 84 Cb 0.51 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.54 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2kki s ASP 85 N -1.00 2.58 0.80 1.69 2.15 -1.26 -4.89 116.67 116.75 2kki s ASP 85 Ca 0.00 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2kki s ASP 85 Cb 0.00 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 2kki s ASP 85 CO 0.00 -0.38 0.00 1.21 -0.17 0.00 0.00 175.17 175.83 2kki n GLU 86 N 5.28 0.00 -1.90 4.34 2.13 -1.16 -3.13 120.64 126.19 2kki n GLU 86 Ca -0.06 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.43 2kki n GLU 86 Cb 0.46 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.12 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kki n ASP 87 N 1.71 3.13 -3.66 4.31 2.03 -0.77 -3.04 116.55 120.25 2kki n ASP 87 Ca 0.00 -2.72 -0.08 0.00 0.52 0.00 0.00 54.79 52.51 2kki n ASP 87 Cb 0.00 -1.60 -0.09 0.00 -0.72 0.00 0.00 41.12 38.71 2kki n ASP 87 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kki s GLN 88 N 5.88 0.35 0.63 -0.67 0.74 -1.18 -4.92 119.66 120.49 2kki s GLN 88 Ca 0.64 1.06 -0.19 0.00 0.05 0.00 0.00 55.36 56.92 2kki s GLN 88 Cb 0.03 0.35 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 2kki s GLN 88 CO 0.12 -0.24 1.31 -0.35 -0.55 0.00 0.00 175.29 175.59 2kki n PRO 89 N 5.30 1.25 -1.73 1.67 -0.04 -1.26 -3.78 135.00 136.42 2kki n PRO 89 Ca -0.10 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 2kki n PRO 89 Cb 0.50 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 2kki n PRO 89 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kki s VAL 90 N -1.36 2.64 -0.05 0.52 1.01 -0.98 -4.71 120.40 117.46 2kki s VAL 90 Ca 0.80 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.81 2kki s VAL 90 Cb -0.39 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2kki s VAL 90 CO 0.42 -0.00 0.19 -0.76 0.00 0.00 0.00 175.10 174.95 2kki s LEU 91 N 2.96 4.38 -0.59 3.92 1.43 -1.20 -4.82 118.68 124.77 2kki s LEU 91 Ca 0.81 0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 2kki s LEU 91 Cb -0.45 -2.39 0.10 0.00 0.03 0.00 0.00 46.19 43.48 2kki s LEU 91 CO 0.37 0.33 0.72 -0.76 0.23 0.00 0.00 176.35 177.24 2kki s LEU 92 N -1.48 5.27 -0.25 1.79 1.43 -1.25 -1.64 118.68 122.54 2kki s LEU 92 Ca 0.22 -1.35 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 2kki s LEU 92 Cb -0.13 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2kki s LEU 92 CO 0.12 -1.13 0.46 -0.75 0.23 0.00 0.00 176.35 175.28 2kki s LYS 93 N 2.81 4.08 -0.75 1.70 2.47 -0.00 -4.82 119.74 125.22 2kki s LYS 93 Ca 0.13 0.24 -0.18 0.00 -1.56 0.00 0.00 55.97 54.60 2kki s LYS 93 Cb -0.23 -3.63 0.14 0.00 -1.46 0.00 0.00 37.83 32.65 2kki s LYS 93 CO 0.07 -0.27 0.86 -2.00 0.16 0.00 0.00 175.35 174.17 2kki s GLU 94 N 2.05 3.34 -0.19 4.03 2.12 -1.26 0.82 118.70 129.60 2kki s GLU 94 Ca 0.20 -1.69 -0.01 0.00 0.36 0.00 0.00 54.97 53.83 2kki s GLU 94 Cb -0.16 -4.50 0.01 0.00 0.26 0.00 0.00 34.13 29.74 2kki s GLU 94 CO 0.09 -1.57 -0.14 1.41 -0.54 0.00 0.00 175.26 174.51 2kki s MET 95 N 2.20 3.13 0.07 4.30 1.75 -1.19 -4.93 119.30 124.62 2kki s MET 95 Ca 0.20 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 53.58 2kki s MET 95 Cb -0.15 -2.73 -0.05 0.00 2.84 0.00 0.00 34.83 34.74 2kki s MET 95 CO -0.02 -0.21 1.08 -1.25 -0.65 0.00 0.00 175.02 173.98 2kki s PRO 96 N 1.36 4.53 0.26 4.11 0.04 -1.26 -4.62 135.00 139.41 2kki s PRO 96 Ca 0.05 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2kki s PRO 96 Cb -0.13 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2kki s PRO 96 CO -0.09 -0.08 0.00 -1.91 0.04 0.00 0.00 177.00 174.95 2kki n GLU 97 N 3.54 -2.19 -2.13 4.56 2.13 -1.26 -4.88 120.64 120.41 2kki n GLU 97 Ca 0.06 1.64 -0.42 0.00 0.66 0.00 0.00 57.16 59.10 2kki n GLU 97 Cb 0.48 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 2kki n GLU 97 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2kki s ILE 98 N -2.92 3.42 0.26 6.31 -1.16 -1.26 -4.93 121.20 120.91 2kki s ILE 98 Ca 0.00 0.89 -0.29 0.00 -0.51 0.00 0.00 60.65 60.73 2kki s ILE 98 Cb 0.00 -3.57 -0.09 0.00 0.61 0.00 0.00 42.46 39.41 2kki s ILE 98 CO 0.00 0.01 0.96 -2.16 -2.81 0.00 0.00 174.94 170.94 2kki s PRO 99 N 2.15 4.78 -0.00 3.50 0.04 -1.26 -4.86 135.00 139.36 2kki s PRO 99 Ca 0.67 1.50 0.15 0.00 0.04 0.00 0.00 61.00 63.36 2kki s PRO 99 Cb -0.35 -3.19 -0.17 0.00 0.04 0.00 0.00 34.50 30.83 2kki s PRO 99 CO 0.29 0.44 0.60 1.63 0.04 0.00 0.00 177.00 180.00 2kki n LYS 100 N 1.30 1.83 -3.61 4.56 5.02 -1.24 -4.68 118.16 121.34 2kki n LYS 100 Ca -0.01 -0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.00 2kki n LYS 100 Cb 0.47 -1.23 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2kki s THR 101 N -2.51 -0.08 -0.25 -0.18 2.01 -1.21 -0.32 115.64 113.09 2kki s THR 101 Ca 0.04 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2kki s THR 101 Cb 0.11 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 2kki s THR 101 CO 0.62 -0.30 0.08 -0.51 -0.69 0.00 0.00 174.62 173.83 2kki s ILE 102 N 2.14 4.41 -0.11 1.82 -1.16 0.14 -4.56 121.20 123.88 2kki s ILE 102 Ca 0.02 -0.15 0.01 0.00 -0.51 0.00 0.00 60.65 60.03 2kki s ILE 102 Cb -0.16 -3.07 0.02 0.00 0.61 0.00 0.00 42.46 39.85 2kki s ILE 102 CO -0.10 0.32 -0.14 0.28 -2.81 0.00 0.00 174.94 172.49 2kki s THR 103 N 1.63 1.44 0.00 4.00 -1.32 -1.22 -3.76 115.64 116.41 2kki s THR 103 Ca 0.06 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2kki s THR 103 Cb -0.15 -1.33 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2kki s THR 103 CO 0.04 0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.49 2kki n GLY 104 N 4.30 0.00 0.28 6.08 0.00 -1.26 -2.98 105.19 111.61 2kki n GLY 104 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.02 2kki n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kki h SER 105 N 0.00 0.00 0.00 1.61 0.02 -2.02 -2.83 113.55 110.33 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2kki n GLU 106 N -2.95 0.99 0.00 3.45 1.02 -1.16 -3.64 120.64 118.35 2kki n GLU 106 Ca -0.01 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 2kki n GLU 106 Cb 0.20 -1.27 0.19 0.00 -0.02 0.00 0.00 31.44 30.53 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2kki n THR 107 N -0.77 1.30 -0.11 2.62 5.66 -1.07 -2.31 114.28 119.60 2kki n THR 107 Ca 0.13 0.33 -0.07 0.00 -3.05 0.00 0.00 64.05 61.39 2kki n THR 107 Cb 0.06 -1.18 0.11 0.00 -1.55 0.00 0.00 70.33 67.77 2kki n THR 107 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2kki h ASN 108 N 0.00 0.81 -0.65 1.09 4.21 -1.83 -3.15 115.58 116.05 2kki h ASN 108 Ca 0.00 -0.25 -0.44 0.00 1.21 0.00 0.00 56.30 56.82 2kki h ASN 108 Cb 0.14 -0.22 -0.19 0.00 -1.12 0.00 0.00 38.32 36.93 2kki h ASN 108 CO 0.00 0.94 0.57 -0.11 -1.29 0.00 0.00 177.43 177.55 2kki n LEU 109 N -4.16 6.89 -4.74 1.61 7.94 -0.96 -2.75 117.00 120.83 2kki n LEU 109 Ca 0.01 -3.63 -0.36 0.00 -1.11 0.00 0.00 56.01 50.92 2kki n LEU 109 Cb 0.38 -1.03 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 2kki n LEU 109 CO 0.43 1.31 -0.04 -0.76 -1.11 0.00 0.00 177.39 177.22 2kki s LEU 110 N -2.50 4.26 -0.11 -1.96 1.43 -1.19 -4.43 118.68 114.16 2kki s LEU 110 Ca 0.42 0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 53.97 2kki s LEU 110 Cb 0.33 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2kki s LEU 110 CO -0.01 0.14 0.26 -0.36 0.23 0.00 0.00 176.35 176.61 2kki s PHE 111 N 0.28 -0.37 -0.42 0.29 0.08 -1.17 -3.25 117.98 113.42 2kki s PHE 111 Ca 0.16 0.86 -0.25 0.00 0.12 0.00 0.00 56.93 57.82 2kki s PHE 111 Cb -0.13 0.03 0.02 0.00 -0.57 0.00 0.00 43.02 42.37 2kki s PHE 111 CO 0.04 -0.27 0.91 0.12 -0.10 0.00 0.00 175.22 175.91 2kki s PHE 112 N 1.60 3.00 -0.48 0.36 5.36 0.38 -1.22 117.98 126.98 2kki s PHE 112 Ca -0.06 0.53 -0.22 0.00 -0.96 0.00 0.00 56.93 56.22 2kki s PHE 112 Cb -0.11 -3.80 0.04 0.00 -0.34 0.00 0.00 43.02 38.81 2kki s PHE 112 CO -0.09 -0.97 0.74 -0.46 -1.46 0.00 0.00 175.22 172.99 2kki s TRP 113 N 3.58 2.98 -0.32 10.12 -0.00 -1.25 -1.07 118.94 132.99 2kki s TRP 113 Ca 0.37 -0.09 -0.11 0.00 -0.00 0.00 0.00 56.10 56.27 2kki s TRP 113 Cb -0.11 -3.63 -0.01 0.00 -0.00 0.00 0.00 33.47 29.72 2kki s TRP 113 CO 0.23 -1.04 0.18 -2.00 -0.00 0.00 0.00 176.95 174.32 2kki s GLU 114 N 3.14 3.34 -0.26 5.86 -6.30 -0.18 -4.95 118.70 119.36 2kki s GLU 114 Ca 0.25 -0.72 -0.14 0.00 -2.50 0.00 0.00 54.97 51.86 2kki s GLU 114 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 34.13 30.31 2kki s GLU 114 CO 0.18 -0.44 0.31 0.99 0.02 0.00 0.00 175.26 176.32 2kki s THR 115 N 1.64 5.23 -0.35 -1.70 2.01 -1.26 -0.43 115.64 120.78 2kki s THR 115 Ca 0.05 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 2kki s THR 115 Cb -0.17 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.81 2kki s THR 115 CO 0.07 0.21 0.15 -2.28 -0.69 0.00 0.00 174.62 172.08 2kki s HIS 116 N 1.83 1.58 0.00 4.92 2.46 -0.33 -5.01 115.29 120.75 2kki s HIS 116 Ca 0.13 -1.86 0.00 0.00 0.47 0.00 0.00 55.06 53.79 2kki s HIS 116 Cb -0.16 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 2kki s HIS 116 CO 0.10 -0.84 0.00 0.41 -2.47 0.00 0.00 174.74 171.93 2kki n GLY 117 N 4.41 1.41 0.09 1.59 0.00 -1.26 -2.24 105.19 109.19 2kki n GLY 117 Ca 0.02 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2kki n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kki n THR 118 N 0.00 1.09 -1.70 2.61 -2.24 -1.26 -5.02 114.28 107.76 2kki n THR 118 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 2kki n THR 118 Cb 0.00 -1.06 0.09 0.00 -2.10 0.00 0.00 70.33 67.26 2kki n THR 118 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2kki s LYS 119 N -2.38 2.08 -0.01 -0.78 -2.85 -0.95 -4.34 119.74 110.51 2kki s LYS 119 Ca -0.22 0.43 -0.20 0.00 -1.00 0.00 0.00 55.97 54.98 2kki s LYS 119 Cb 0.06 -1.94 0.04 0.00 -2.06 0.00 0.00 37.83 33.93 2kki s LYS 119 CO 0.48 -1.58 0.43 -0.80 0.10 0.00 0.00 175.35 173.98 2kki s ASN 120 N -4.17 -0.34 0.27 0.03 -0.87 0.12 -1.18 114.94 108.80 2kki s ASN 120 Ca 0.61 0.24 0.09 0.00 -1.57 0.00 0.00 52.86 52.23 2kki s ASN 120 Cb -0.13 0.39 -0.04 0.00 -0.02 0.00 0.00 41.25 41.45 2kki s ASN 120 CO 0.52 -0.53 0.03 -0.31 -2.57 0.00 0.00 177.10 174.24 2kki s TYR 121 N -1.52 2.76 -0.32 2.20 1.51 0.43 -0.46 117.35 121.96 2kki s TYR 121 Ca -0.11 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2kki s TYR 121 Cb -0.03 -1.24 0.10 0.00 -0.11 0.00 0.00 41.96 40.68 2kki s TYR 121 CO 0.05 0.60 0.08 -0.06 -1.11 0.00 0.00 175.55 175.10 2kki s PHE 122 N -2.30 2.31 0.01 2.71 0.08 -1.25 -1.01 117.98 118.54 2kki s PHE 122 Ca 0.32 -2.10 -0.19 0.00 0.12 0.00 0.00 56.93 55.08 2kki s PHE 122 Cb -0.07 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.27 2kki s PHE 122 CO 0.21 -0.90 0.56 0.99 -0.10 0.00 0.00 175.22 175.98 2kki s THR 123 N 1.41 4.89 -0.01 0.64 2.01 -0.23 -0.96 115.64 123.39 2kki s THR 123 Ca 0.10 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.97 2kki s THR 123 Cb -0.18 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2kki s THR 123 CO -0.20 0.47 1.35 -0.55 -0.69 0.00 0.00 174.62 175.00 2kki s SER 124 N -0.50 6.90 0.40 3.53 0.15 -0.57 0.14 113.70 123.75 2kki s SER 124 Ca 0.29 2.05 0.21 0.00 0.70 0.00 0.00 55.95 59.21 2kki s SER 124 Cb -0.18 -2.56 0.68 0.00 -1.71 0.00 0.00 66.02 62.24 2kki s SER 124 CO 0.17 -0.68 1.72 0.58 1.20 0.00 0.00 173.24 176.22 2kki h VAL 125 N 4.91 0.64 -0.07 4.45 2.07 -1.88 -2.28 116.25 124.08 2kki h VAL 125 Ca -0.37 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 65.65 2kki h VAL 125 Cb 1.18 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2kki h VAL 125 CO 0.90 0.29 -0.31 0.00 0.02 0.00 0.00 177.57 178.47 2kki h ALA 126 N 1.70 0.14 -2.64 1.67 0.00 -1.89 -3.41 119.26 114.84 2kki h ALA 126 Ca -0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 2kki h ALA 126 Cb 0.92 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.35 2kki h ALA 126 CO 0.04 0.18 -0.60 -1.01 0.00 0.00 0.00 179.25 177.86 2kki s HIS 127 N -3.69 -0.32 0.38 0.00 3.76 -0.99 -5.04 115.29 109.41 2kki s HIS 127 Ca -0.14 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.29 2kki s HIS 127 Cb 0.04 -0.26 0.79 0.00 1.11 0.00 0.00 32.58 34.25 2kki s HIS 127 CO 0.77 -0.51 2.00 -1.00 -0.85 0.00 0.00 174.74 175.15 2kki h PRO 128 N 8.31 0.66 0.00 8.40 0.13 -1.73 -0.84 132.00 146.93 2kki h PRO 128 Ca -0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kki h PRO 128 Cb 1.14 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2kki h PRO 128 CO 0.23 0.44 0.00 -1.71 -0.23 0.00 0.00 178.00 176.73 2kki n ASN 129 N -4.47 0.00 -4.74 1.44 4.05 -1.26 -4.01 115.26 106.27 2kki n ASN 129 Ca 0.08 0.40 -0.37 0.00 0.45 0.00 0.00 54.58 55.14 2kki n ASN 129 Cb 0.17 -0.44 -0.07 0.00 1.23 0.00 0.00 39.78 40.67 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kki s LEU 130 N -2.88 4.27 -0.16 1.20 1.02 -0.32 -0.56 118.68 121.25 2kki s LEU 130 Ca 0.06 0.60 -0.16 0.00 0.02 0.00 0.00 54.13 54.65 2kki s LEU 130 Cb 0.07 -2.44 0.04 0.00 0.02 0.00 0.00 46.19 43.88 2kki s LEU 130 CO 0.17 0.11 0.45 0.12 0.02 0.00 0.00 176.35 177.22 2kki s PHE 131 N 0.34 -0.48 -0.68 0.29 2.19 -1.20 -1.51 117.98 116.92 2kki s PHE 131 Ca 0.19 1.16 -0.24 0.00 0.33 0.00 0.00 56.93 58.37 2kki s PHE 131 Cb -0.14 0.17 0.06 0.00 -1.31 0.00 0.00 43.02 41.80 2kki s PHE 131 CO 0.06 -0.26 1.06 0.42 1.83 0.00 0.00 175.22 178.33 2kki s ILE 132 N 0.11 4.15 0.20 3.12 -1.09 -0.13 -2.43 121.20 125.13 2kki s ILE 132 Ca -0.01 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2kki s ILE 132 Cb -0.03 -4.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.04 2kki s ILE 132 CO 0.01 -1.57 0.44 0.00 -1.23 0.00 0.00 174.94 172.59 2kki s ALA 133 N 4.56 3.74 -0.07 9.38 0.00 -1.10 -4.06 121.76 134.20 2kki s ALA 133 Ca 0.26 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.64 2kki s ALA 133 Cb -0.14 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.83 2kki s ALA 133 CO 0.12 0.48 -0.16 0.99 0.00 0.00 0.00 175.76 177.19 2kki s THR 134 N -1.84 1.40 0.04 0.00 2.01 0.46 -4.03 115.64 113.68 2kki s THR 134 Ca 0.42 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.82 2kki s THR 134 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2kki s THR 134 CO 0.27 0.41 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.03 2kki s LYS 135 N 0.54 2.52 0.23 4.92 -0.14 -1.26 -2.63 119.74 123.91 2kki s LYS 135 Ca -0.15 -0.78 0.14 0.00 -1.36 0.00 0.00 55.97 53.82 2kki s LYS 135 Cb -0.16 -2.51 -0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2kki s LYS 135 CO 0.05 0.58 1.34 0.37 -0.76 0.00 0.00 175.35 176.93 2kki h GLN 136 N 4.09 0.00 0.00 1.68 4.15 -1.93 -3.38 115.11 119.72 2kki h GLN 136 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2kki h GLN 136 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2kki h GLN 136 CO 0.55 0.55 -0.66 -0.25 -1.93 0.00 0.00 178.83 177.10 2kki n ASP 137 N -3.20 2.98 -4.02 -0.69 8.00 -1.26 -4.76 116.55 113.59 2kki n ASP 137 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2kki n ASP 137 Cb 0.78 0.18 0.06 0.00 -0.02 0.00 0.00 41.12 42.12 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kki n TYR 138 N -1.79 -2.72 -1.54 1.24 4.01 -1.26 -4.92 117.16 110.18 2kki n TYR 138 Ca 0.00 -1.44 -0.32 0.00 -0.16 0.00 0.00 57.90 55.98 2kki n TYR 138 Cb 0.33 -0.45 0.07 0.00 -0.31 0.00 0.00 39.34 38.97 2kki n TYR 138 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2kki s TRP 139 N -1.85 2.58 -0.50 -0.72 0.51 -1.26 -4.00 118.94 113.71 2kki s TRP 139 Ca 0.46 1.56 -0.27 0.00 -2.12 0.00 0.00 56.10 55.72 2kki s TRP 139 Cb -0.03 -3.13 -0.02 0.00 -0.81 0.00 0.00 33.47 29.49 2kki s TRP 139 CO 0.30 -1.76 1.78 0.08 -0.51 0.00 0.00 176.95 176.83 2kki s VAL 140 N -2.56 3.47 0.00 4.03 1.01 0.91 -4.56 120.40 122.70 2kki s VAL 140 Ca 0.65 0.39 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2kki s VAL 140 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2kki s VAL 140 CO 0.48 -0.74 0.00 0.00 0.00 0.00 0.00 175.10 174.83 2kki s LEU 142 N 0.00 2.33 -0.12 0.00 2.96 -1.25 -2.72 118.68 119.88 2kki s LEU 142 Ca 0.00 -0.68 -0.30 0.00 -0.22 0.00 0.00 54.13 52.92 2kki s LEU 142 Cb 0.00 0.00 0.12 0.00 0.50 0.00 0.00 46.19 46.82 2kki s LEU 142 CO 0.00 -0.35 0.99 0.00 -1.32 0.00 0.00 176.35 175.67 2kki s ALA 143 N -2.21 -1.92 -0.39 5.97 0.00 -1.02 -1.85 121.76 120.35 2kki s ALA 143 Ca -0.06 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2kki s ALA 143 Cb -0.04 -0.33 0.51 0.00 0.00 0.00 0.00 23.12 23.26 2kki s ALA 143 CO -0.03 -0.45 1.78 0.41 0.00 0.00 0.00 175.76 177.48 2kki n GLY 144 N 0.35 4.19 0.00 0.00 0.00 0.27 -3.25 105.19 106.76 2kki n GLY 144 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2kki n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kki n GLY 145 N -0.76 1.76 0.00 -0.02 0.00 -1.26 -4.85 105.19 100.06 2kki n GLY 145 Ca 0.48 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kki n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kki n PRO 146 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -3.46 135.00 131.87 2kki n PRO 146 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kki n PRO 146 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2kki n PRO 146 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kki n PRO 147 N 0.00 0.00 -2.32 0.52 -0.02 -1.26 -4.87 135.00 127.05 2kki n PRO 147 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 2kki n PRO 147 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2kki n PRO 147 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2kki s SER 148 N 0.00 6.96 -0.78 2.55 0.01 -1.23 -4.94 113.70 116.27 2kki s SER 148 Ca 0.00 2.07 -0.19 0.00 1.31 0.00 0.00 55.95 59.13 2kki s SER 148 Cb 0.00 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.78 2kki s SER 148 CO 0.00 -0.60 0.97 -0.63 0.41 0.00 0.00 173.24 173.39 2kki s ILE 149 N 1.69 4.73 -0.30 1.44 -1.09 -1.08 -4.82 121.20 121.77 2kki s ILE 149 Ca 0.61 -1.24 -0.00 0.00 -2.23 0.00 0.00 60.65 57.78 2kki s ILE 149 Cb -0.31 -4.67 0.24 0.00 -1.58 0.00 0.00 42.46 36.15 2kki s ILE 149 CO 0.27 -1.37 1.89 0.35 -1.23 0.00 0.00 174.94 174.85 2kki n THR 150 N 5.48 2.64 -3.72 2.92 -2.24 -1.26 0.17 114.28 118.27 2kki n THR 150 Ca 0.09 -1.52 -0.34 0.00 -2.27 0.00 0.00 64.05 60.01 2kki n THR 150 Cb 0.47 -1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 2kki n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kki s ASP 151 N 0.08 6.51 0.20 3.42 1.11 -1.26 -3.82 116.67 122.91 2kki s ASP 151 Ca 0.31 0.59 -0.00 0.00 0.18 0.00 0.00 52.55 53.62 2kki s ASP 151 Cb 0.25 -2.10 -0.04 0.00 1.07 0.00 0.00 42.92 42.09 2kki s ASP 151 CO 0.01 0.21 0.09 0.72 1.18 0.00 0.00 175.17 177.37 2kki s PHE 152 N -1.37 1.20 -0.18 4.23 -0.71 0.39 -3.80 117.98 117.74 2kki s PHE 152 Ca 0.31 -1.25 -0.28 0.00 -1.04 0.00 0.00 56.93 54.67 2kki s PHE 152 Cb -0.13 -0.65 0.08 0.00 -1.21 0.00 0.00 43.02 41.11 2kki s PHE 152 CO 0.18 -0.47 0.78 1.14 -1.34 0.00 0.00 175.22 175.51 2kki s GLN 153 N -4.07 0.84 -0.34 1.99 -2.07 0.28 0.16 119.66 116.45 2kki s GLN 153 Ca 0.33 0.57 -0.19 0.00 -1.82 0.00 0.00 55.36 54.25 2kki s GLN 153 Cb 0.07 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.39 2kki s GLN 153 CO 0.09 -0.19 0.57 0.42 -1.32 0.00 0.00 175.29 174.87 2kki s ILE 154 N -0.40 4.96 -0.26 3.63 1.01 -1.26 -2.79 121.20 126.09 2kki s ILE 154 Ca -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 2kki s ILE 154 Cb -0.03 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2kki s ILE 154 CO 0.03 -0.24 0.09 -0.76 0.00 0.00 0.00 174.94 174.07 2kki s LEU 155 N 2.54 3.62 0.43 2.97 1.43 -0.44 -4.93 118.68 124.29 2kki s LEU 155 Ca 0.22 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2kki s LEU 155 Cb -0.15 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 2kki s LEU 155 CO 0.14 -0.07 0.78 -0.70 0.23 0.00 0.00 176.35 176.72 2kki s GLU 156 N 1.62 3.71 0.61 1.70 2.12 -1.26 -0.66 118.70 126.54 2kki s GLU 156 Ca 0.06 0.41 -0.05 0.00 0.36 0.00 0.00 54.97 55.74 2kki s GLU 156 Cb -0.16 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.88 2kki s GLU 156 CO 0.04 -0.09 0.91 0.54 -0.54 0.00 0.00 175.26 176.13 2kki s ASN 157 N -3.42 5.39 -0.09 -1.70 4.22 -1.26 -4.60 114.94 113.48 2kki s ASN 157 Ca 0.50 0.59 -0.19 0.00 -2.14 0.00 0.00 52.86 51.62 2kki s ASN 157 Cb -0.10 -1.50 -0.16 0.00 1.28 0.00 0.00 41.25 40.77 2kki s ASN 157 CO 0.35 -1.19 0.66 -0.61 -2.04 0.00 0.00 177.10 174.27 2kki h GLN 158 N -0.24 -0.09 0.00 3.55 5.75 -1.94 -3.47 115.11 118.66 2kki h GLN 158 Ca -0.45 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2kki h GLN 158 Cb 1.27 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2kki h GLN 158 CO 0.60 0.43 0.00 0.00 -2.65 0.00 0.00 178.83 177.21