#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 5.11 -0.04 3.44 1.01 -1.26 -5.06 120.40 123.60 2kki s VAL 10 Ca 0.00 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 2kki s VAL 10 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2kki s VAL 10 CO 0.00 0.18 0.13 -1.59 0.00 0.00 0.00 175.10 173.82 2kki s LYS 11 N 1.63 3.29 -0.45 2.72 0.00 -1.25 -4.63 119.74 121.05 2kki s LYS 11 Ca 0.24 -0.34 -0.14 0.00 0.00 0.00 0.00 55.97 55.73 2kki s LYS 11 Cb -0.15 -3.02 0.06 0.00 0.00 0.00 0.00 37.83 34.71 2kki s LYS 11 CO 0.09 0.69 0.35 0.71 0.00 0.00 0.00 175.35 177.19 2kki s TYR 12 N -1.19 3.25 -0.07 1.78 2.02 0.15 -4.73 117.35 118.57 2kki s TYR 12 Ca 0.22 -0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 56.00 2kki s TYR 12 Cb -0.12 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 2kki s TYR 12 CO 0.13 -0.75 -0.02 0.54 -1.57 0.00 0.00 175.55 173.88 2kki s ASN 13 N 2.27 5.06 0.21 2.29 2.20 -0.79 -1.40 114.94 124.78 2kki s ASN 13 Ca 0.04 0.08 -0.31 0.00 -0.94 0.00 0.00 52.86 51.72 2kki s ASN 13 Cb -0.23 -1.37 -0.11 0.00 -2.00 0.00 0.00 41.25 37.55 2kki s ASN 13 CO 0.07 0.36 1.62 0.12 -2.94 0.00 0.00 177.10 176.33 2kki s PHE 14 N -0.89 2.95 -0.13 1.54 5.36 -1.14 0.21 117.98 125.88 2kki s PHE 14 Ca 0.14 0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 56.57 2kki s PHE 14 Cb -0.11 -4.02 -0.04 0.00 -0.34 0.00 0.00 43.02 38.51 2kki s PHE 14 CO 0.03 -3.73 -0.21 -0.12 -1.46 0.00 0.00 175.22 169.73 2kki n MET 15 N 3.57 0.39 -3.60 10.12 0.00 -0.21 -4.79 117.12 122.61 2kki n MET 15 Ca 0.13 0.33 -0.16 0.00 -0.00 0.00 0.00 57.70 58.00 2kki n MET 15 Cb 0.37 -1.38 -0.07 0.00 0.00 0.00 0.00 33.22 32.14 2kki n MET 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 2kki s ARG 16 N -2.25 0.91 -0.35 2.12 1.70 -1.20 -5.04 118.95 114.84 2kki s ARG 16 Ca -0.17 0.24 -0.28 0.00 -0.47 0.00 0.00 55.73 55.05 2kki s ARG 16 Cb 0.02 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 2kki s ARG 16 CO 0.25 -0.25 1.02 -1.50 -1.08 0.00 0.00 175.30 173.74 2kki s ILE 17 N -0.98 4.52 0.00 4.99 1.10 -1.26 -2.91 121.20 126.65 2kki s ILE 17 Ca -0.10 1.51 0.00 0.00 -0.51 0.00 0.00 60.65 61.55 2kki s ILE 17 Cb -0.02 -4.39 0.00 0.00 0.15 0.00 0.00 42.46 38.20 2kki s ILE 17 CO 0.07 -0.53 0.00 -0.38 -2.11 0.00 0.00 174.94 171.99 2kki n ILE 18 N 5.97 0.00 -4.24 2.00 2.08 -1.17 -4.99 119.36 119.01 2kki n ILE 18 Ca 0.10 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.17 2kki n ILE 18 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.29 2kki n ILE 18 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2kki s LYS 19 N 2.08 2.40 0.12 0.38 2.47 -1.17 -4.94 119.74 121.08 2kki s LYS 19 Ca 0.00 -1.25 -0.14 0.00 -1.56 0.00 0.00 55.97 53.03 2kki s LYS 19 Cb 0.00 -2.29 0.02 0.00 -1.46 0.00 0.00 37.83 34.11 2kki s LYS 19 CO 0.00 0.41 0.34 1.52 0.16 0.00 0.00 175.35 177.78 2kki s TYR 20 N -2.05 -0.08 -1.67 4.03 1.13 -1.26 -0.69 117.35 116.77 2kki s TYR 20 Ca 0.30 -0.27 -0.02 0.00 -1.41 0.00 0.00 57.07 55.66 2kki s TYR 20 Cb -0.08 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 2kki s TYR 20 CO 0.20 -0.66 0.31 0.39 -2.51 0.00 0.00 175.55 173.28 2kki n GLU 21 N -0.18 -3.33 -4.16 -3.49 -0.58 -0.52 -4.96 120.64 103.42 2kki n GLU 21 Ca -0.15 0.96 -0.24 0.00 -0.42 0.00 0.00 57.16 57.31 2kki n GLU 21 Cb 0.63 -5.73 -0.06 0.00 -0.57 0.00 0.00 31.44 25.72 2kki n GLU 21 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2kki s PHE 22 N -3.11 2.99 -0.08 -0.32 -0.71 -1.22 -4.92 117.98 110.60 2kki s PHE 22 Ca 0.16 -0.12 -0.10 0.00 -1.04 0.00 0.00 56.93 55.82 2kki s PHE 22 Cb -0.07 -1.37 -0.05 0.00 -1.21 0.00 0.00 43.02 40.32 2kki s PHE 22 CO 0.19 0.54 0.25 0.42 -1.34 0.00 0.00 175.22 175.28 2kki s ILE 23 N -2.04 5.32 -0.25 -4.49 -1.09 0.25 -2.40 121.20 116.49 2kki s ILE 23 Ca 0.31 0.46 -0.12 0.00 -2.23 0.00 0.00 60.65 59.07 2kki s ILE 23 Cb -0.08 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2kki s ILE 23 CO 0.23 0.59 0.25 -0.22 -1.23 0.00 0.00 174.94 174.56 2kki s LEU 24 N -0.94 4.08 0.00 2.97 0.20 -1.26 -0.92 118.68 122.82 2kki s LEU 24 Ca 0.18 0.19 0.02 0.00 0.69 0.00 0.00 54.13 55.21 2kki s LEU 24 Cb -0.14 -2.24 -0.01 0.00 -0.43 0.00 0.00 46.19 43.37 2kki s LEU 24 CO 0.07 -0.04 -0.07 0.21 -0.29 0.00 0.00 176.35 176.24 2kki s ASN 25 N 1.35 0.76 0.77 3.68 2.47 -1.11 -1.05 114.94 121.81 2kki s ASN 25 Ca 0.11 -0.19 -0.02 0.00 0.42 0.00 0.00 52.86 53.18 2kki s ASN 25 Cb -0.15 -0.06 0.15 0.00 -1.45 0.00 0.00 41.25 39.75 2kki s ASN 25 CO 0.08 0.03 1.05 1.51 -3.72 0.00 0.00 177.10 176.05 2kki s ASP 26 N -0.41 4.06 0.38 -4.21 1.47 -1.20 0.11 116.67 116.87 2kki s ASP 26 Ca 0.00 -0.46 0.28 0.00 1.18 0.00 0.00 52.55 53.55 2kki s ASP 26 Cb -0.04 0.23 1.09 0.00 -0.34 0.00 0.00 42.92 43.86 2kki s ASP 26 CO -0.00 -2.08 1.82 0.00 0.68 0.00 0.00 175.17 175.59 2kki h ALA 27 N -0.70 1.00 0.00 2.11 0.00 -1.83 0.43 119.26 120.27 2kki h ALA 27 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2kki h ALA 27 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2kki h ALA 27 CO 0.36 0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 179.42 2kki h LEU 28 N 0.00 0.00 -2.48 0.00 3.38 -1.91 -3.48 115.31 110.82 2kki h LEU 28 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kki h LEU 28 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2kki h LEU 28 CO 0.00 0.12 -0.23 0.59 0.09 0.00 0.00 178.44 179.01 2kki n ASN 29 N -3.19 -6.51 -3.81 -0.43 3.02 0.15 -5.00 115.26 99.50 2kki n ASN 29 Ca 0.02 0.22 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 2kki n ASN 29 Cb 0.46 -4.34 -0.17 0.00 -0.61 0.00 0.00 39.78 35.12 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 -2.55 0.98 -0.05 3.52 1.11 -1.26 -3.79 119.66 117.64 2kki s GLN 30 Ca 0.11 -0.36 -0.30 0.00 0.01 0.00 0.00 55.36 54.83 2kki s GLN 30 Cb -0.03 -1.83 -0.06 0.00 -1.01 0.00 0.00 33.01 30.08 2kki s GLN 30 CO 0.58 -0.48 1.62 -1.12 0.01 0.00 0.00 175.29 175.90 2kki s SER 31 N 1.78 6.69 -0.50 5.90 0.01 0.60 -3.26 113.70 124.92 2kki s SER 31 Ca 0.01 2.22 -0.28 0.00 1.31 0.00 0.00 55.95 59.21 2kki s SER 31 Cb -0.15 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2kki s SER 31 CO -0.07 -0.90 1.56 -0.51 0.41 0.00 0.00 173.24 173.72 2kki s ILE 32 N 3.78 3.68 0.18 1.44 2.07 -0.22 -0.85 121.20 131.28 2kki s ILE 32 Ca 0.72 0.60 0.02 0.00 -1.41 0.00 0.00 60.65 60.58 2kki s ILE 32 Cb -0.33 -4.17 -0.04 0.00 0.13 0.00 0.00 42.46 38.05 2kki s ILE 32 CO 0.29 -0.92 0.32 -0.63 -1.91 0.00 0.00 174.94 172.09 2kki s ILE 33 N 6.60 5.29 -0.34 2.00 1.01 0.36 -2.41 121.20 133.71 2kki s ILE 33 Ca 0.61 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 2kki s ILE 33 Cb -0.14 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2kki s ILE 33 CO 0.27 -0.16 1.25 -0.60 0.00 0.00 0.00 174.94 175.70 2kki s ARG 34 N -3.41 3.88 -0.16 2.79 3.00 -1.26 -1.89 118.95 121.91 2kki s ARG 34 Ca 0.35 1.08 -0.03 0.00 -1.00 0.00 0.00 55.73 56.13 2kki s ARG 34 Cb -0.11 -3.87 -0.24 0.00 0.00 0.00 0.00 34.95 30.74 2kki s ARG 34 CO 0.29 -1.17 0.21 0.00 0.00 0.00 0.00 175.30 174.64 2kki n ALA 35 N 7.64 1.07 -2.35 6.12 0.00 -1.15 -4.93 120.51 126.91 2kki n ALA 35 Ca 0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 2kki n ALA 35 Cb 0.47 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 -6.84 0.25 0.00 0.00 -0.87 0.30 -4.99 114.94 102.80 2kki s ASN 36 Ca -0.25 -0.97 0.23 0.00 -1.57 0.00 0.00 52.86 50.31 2kki s ASN 36 Cb 0.07 0.31 1.26 0.00 -0.02 0.00 0.00 41.25 42.87 2kki s ASN 36 CO 0.73 -0.73 1.77 -0.90 -2.57 0.00 0.00 177.10 175.39 2kki n ASP 37 N -0.06 0.00 0.00 -1.22 5.75 -1.26 -3.01 116.55 116.75 2kki n ASP 37 Ca -0.10 -0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.37 2kki n ASP 37 Cb 0.63 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kki n GLN 38 N -1.18 0.96 -5.00 0.11 1.13 -1.26 -4.78 117.38 107.37 2kki n GLN 38 Ca 0.14 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.91 2kki n GLN 38 Cb 0.14 -0.92 -0.16 0.00 0.11 0.00 0.00 30.24 29.41 2kki n GLN 38 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2kki s TYR 39 N -1.68 2.04 -0.07 1.08 2.02 -1.16 -3.75 117.35 115.83 2kki s TYR 39 Ca 0.00 -0.67 0.05 0.00 -0.37 0.00 0.00 57.07 56.08 2kki s TYR 39 Cb 0.00 -1.37 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 2kki s TYR 39 CO 0.00 -0.24 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.35 2kki s LEU 40 N 0.12 2.01 -0.03 -1.29 2.96 -1.26 -0.54 118.68 120.64 2kki s LEU 40 Ca -0.08 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2kki s LEU 40 Cb -0.14 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 2kki s LEU 40 CO 0.04 0.18 -0.15 0.28 -1.32 0.00 0.00 176.35 175.39 2kki s THR 41 N 0.09 1.25 0.05 3.68 -1.32 -0.79 -0.96 115.64 117.63 2kki s THR 41 Ca -0.09 -0.63 -0.18 0.00 -1.21 0.00 0.00 61.69 59.58 2kki s THR 41 Cb -0.15 -1.07 -0.06 0.00 -1.51 0.00 0.00 72.50 69.71 2kki s THR 41 CO 0.05 0.36 0.52 0.00 -2.21 0.00 0.00 174.62 173.34 2kki s ALA 42 N -0.02 3.62 -0.13 11.08 0.00 -1.25 -0.48 121.76 134.57 2kki s ALA 42 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 2kki s ALA 42 Cb -0.10 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.51 2kki s ALA 42 CO 0.01 0.43 0.33 0.00 0.00 0.00 0.00 175.76 176.53 2kki s ALA 43 N -1.11 -0.81 -0.07 0.00 0.00 -0.03 -4.50 121.76 115.24 2kki s ALA 43 Ca 0.28 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 2kki s ALA 43 Cb -0.19 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2kki s ALA 43 CO 0.17 -0.20 1.84 0.00 0.00 0.00 0.00 175.76 177.57 2kki s ALA 44 N 0.86 3.42 0.52 0.00 0.00 -1.25 -0.29 121.76 125.03 2kki s ALA 44 Ca -0.06 0.97 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 2kki s ALA 44 Cb -0.06 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 2kki s ALA 44 CO -0.06 -1.75 0.92 -0.51 0.00 0.00 0.00 175.76 174.36 2kki s LEU 45 N 4.97 3.53 0.00 0.00 2.01 -1.26 -4.82 118.68 123.11 2kki s LEU 45 Ca 0.82 1.30 0.00 0.00 0.01 0.00 0.00 54.13 56.26 2kki s LEU 45 Cb -0.35 -4.27 0.00 0.00 0.01 0.00 0.00 46.19 41.58 2kki s LEU 45 CO 0.35 -0.64 0.00 1.57 1.01 0.00 0.00 176.35 178.63 2kki n HIS 46 N -2.06 0.00 1.37 0.29 -0.00 -1.26 -4.52 115.22 109.04 2kki n HIS 46 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.91 2kki n HIS 46 Cb 0.54 0.00 0.69 0.00 -0.00 0.00 0.00 29.99 31.22 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2kki n ASN 47 N -0.37 0.14 0.00 0.26 5.15 -1.26 -4.93 115.26 114.25 2kki n ASN 47 Ca 0.00 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.77 2kki n ASN 47 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 2kki n ASN 47 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2kki n LEU 48 N -1.22 0.00 -4.49 1.20 4.77 -1.26 -3.41 117.00 112.58 2kki n LEU 48 Ca 0.13 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 2kki n LEU 48 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2kki n LEU 48 CO 0.24 0.00 1.26 -0.62 -1.33 0.00 0.00 177.39 176.94 2kki s ASP 49 N -0.22 6.69 0.00 -1.43 2.15 -1.26 -4.12 116.67 118.48 2kki s ASP 49 Ca 0.00 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2kki s ASP 49 Cb 0.00 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2kki s ASP 49 CO 0.00 -1.13 0.00 1.21 -0.17 0.00 0.00 175.17 175.08 2kki n GLU 50 N 7.14 1.61 -1.79 4.34 2.13 -1.26 -5.04 120.64 127.77 2kki n GLU 50 Ca 0.30 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.82 2kki n GLU 50 Cb 0.48 -0.33 0.03 0.00 0.27 0.00 0.00 31.44 31.90 2kki n GLU 50 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kki s ALA 51 N -0.59 2.91 0.03 4.31 0.00 -1.26 -4.94 121.76 122.23 2kki s ALA 51 Ca 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 2kki s ALA 51 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 2kki s ALA 51 CO 0.00 -0.96 1.35 0.14 0.00 0.00 0.00 175.76 176.29 2kki s VAL 52 N -3.18 3.70 -0.19 0.00 -7.23 -1.01 -4.88 120.40 107.60 2kki s VAL 52 Ca 0.57 1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 61.73 2kki s VAL 52 Cb -0.12 -3.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 2kki s VAL 52 CO 0.54 0.03 0.35 -1.59 -0.31 0.00 0.00 175.10 174.12 2kki s LYS 53 N 1.88 4.18 0.45 4.82 -2.85 -1.26 -4.35 119.74 122.61 2kki s LYS 53 Ca 0.63 0.13 0.08 0.00 -1.00 0.00 0.00 55.97 55.80 2kki s LYS 53 Cb -0.32 -3.51 0.02 0.00 -2.06 0.00 0.00 37.83 31.96 2kki s LYS 53 CO 0.27 0.04 0.56 -0.59 0.10 0.00 0.00 175.35 175.73 2kki s PHE 54 N 1.08 2.54 -0.03 1.78 -0.71 -1.01 -0.76 117.98 120.87 2kki s PHE 54 Ca 0.17 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.59 2kki s PHE 54 Cb -0.14 -2.30 0.02 0.00 -1.21 0.00 0.00 43.02 39.40 2kki s PHE 54 CO 0.07 -0.47 -0.02 0.34 -1.34 0.00 0.00 175.22 173.80 2kki s ASP 55 N -4.35 0.61 -0.12 1.98 2.15 0.29 -1.44 116.67 115.79 2kki s ASP 55 Ca 0.54 -0.07 -0.03 0.00 0.43 0.00 0.00 52.55 53.42 2kki s ASP 55 Cb -0.08 -0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.21 2kki s ASP 55 CO 0.32 -0.08 -0.03 -0.04 -0.17 0.00 0.00 175.17 175.18 2kki s MET 56 N 0.93 3.35 -0.03 4.34 -1.94 0.14 -1.25 119.30 124.84 2kki s MET 56 Ca -0.11 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2kki s MET 56 Cb -0.14 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.89 2kki s MET 56 CO -0.01 0.44 0.05 0.20 -0.01 0.00 0.00 175.02 175.69 2kki s GLY 57 N -0.18 0.12 0.29 -0.03 0.00 -1.06 -3.03 107.32 103.43 2kki s GLY 57 Ca 0.04 0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.87 2kki s GLY 57 CO 0.02 0.92 0.78 0.00 0.00 0.00 0.00 173.10 174.82 2kki s ALA 58 N 1.40 3.31 0.23 3.20 0.00 -1.15 0.59 121.76 129.36 2kki s ALA 58 Ca -0.05 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.18 2kki s ALA 58 Cb -0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2kki s ALA 58 CO -0.03 0.29 -0.11 1.52 0.00 0.00 0.00 175.76 177.42 2kki s TYR 59 N -1.76 1.82 -0.12 0.00 -0.85 0.75 -1.04 117.35 116.15 2kki s TYR 59 Ca 0.50 -0.61 -0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2kki s TYR 59 Cb -0.14 -0.91 0.03 0.00 0.38 0.00 0.00 41.96 41.31 2kki s TYR 59 CO 0.19 0.34 -0.08 0.21 -1.52 0.00 0.00 175.55 174.69 2kki s LYS 60 N -3.67 1.60 0.06 -3.49 2.20 0.13 -4.23 119.74 112.34 2kki s LYS 60 Ca 0.25 -0.30 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 2kki s LYS 60 Cb 0.01 -1.67 -0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2kki s LYS 60 CO 0.09 -0.28 0.16 -1.12 -0.36 0.00 0.00 175.35 173.84 2kki s SER 61 N 1.68 0.12 -0.40 1.43 0.01 -1.26 -1.88 113.70 113.40 2kki s SER 61 Ca 0.05 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.75 2kki s SER 61 Cb -0.13 0.29 0.17 0.00 0.21 0.00 0.00 66.02 66.56 2kki s SER 61 CO -0.08 -0.61 2.34 -1.20 0.41 0.00 0.00 173.24 174.09 2kki n SER 62 N 0.42 6.56 -1.05 2.44 7.64 -1.26 -4.22 113.62 124.14 2kki n SER 62 Ca -0.17 -3.18 0.02 0.00 1.01 0.00 0.00 58.87 56.55 2kki n SER 62 Cb 0.60 -1.13 0.14 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.48 1.42 0.00 1.43 4.81 -1.26 -5.01 118.16 120.02 2kki n LYS 63 Ca 0.40 -3.09 0.00 0.00 -0.87 0.00 0.00 58.31 54.75 2kki n LYS 63 Cb 0.57 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.67 0.00 0.00 3.14 8.00 -1.26 -5.10 116.55 120.67 2kki n ASP 64 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 2kki n ASP 64 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 2kki n ASP 64 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kki n ASP 65 N 0.00 0.00 -0.36 -2.24 8.00 -1.26 -4.96 116.55 115.73 2kki n ASP 65 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2kki n ASP 65 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 2kki n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kki n ALA 66 N -1.43 2.18 -3.00 2.24 0.00 -1.26 -5.08 120.51 114.16 2kki n ALA 66 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 53.44 51.51 2kki n ALA 66 Cb 0.00 -0.45 -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 -1.59 0.00 0.00 0.00 177.50 175.91 2kki s LYS 67 N -1.32 0.25 0.09 0.00 0.00 -1.26 -5.15 119.74 112.34 2kki s LYS 67 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 55.97 55.99 2kki s LYS 67 Cb 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 37.83 38.04 2kki s LYS 67 CO 0.00 -0.05 0.06 0.96 0.00 0.00 0.00 175.35 176.33 2kki s ILE 68 N -0.66 4.40 -0.13 3.79 -0.00 -1.26 -4.74 121.20 122.59 2kki s ILE 68 Ca -0.07 -0.84 -0.03 0.00 -0.00 0.00 0.00 60.65 59.71 2kki s ILE 68 Cb -0.05 -3.12 -0.03 0.00 -0.00 0.00 0.00 42.46 39.27 2kki s ILE 68 CO 0.00 0.11 -0.02 -0.89 -0.00 0.00 0.00 174.94 174.14 2kki s THR 69 N -1.38 4.05 0.22 8.37 2.01 -1.26 -3.74 115.64 123.91 2kki s THR 69 Ca 0.28 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.02 2kki s THR 69 Cb -0.12 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 2kki s THR 69 CO 0.21 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.92 2kki s VAL 70 N -0.06 1.33 -0.18 3.82 1.01 -0.96 -0.17 120.40 125.19 2kki s VAL 70 Ca 0.02 -2.09 -0.07 0.00 0.00 0.00 0.00 61.98 59.84 2kki s VAL 70 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2kki s VAL 70 CO 0.02 -0.45 0.06 -0.63 0.00 0.00 0.00 175.10 174.10 2kki s ILE 71 N -3.22 4.80 -0.30 2.22 1.01 0.20 -2.90 121.20 123.00 2kki s ILE 71 Ca 0.25 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.78 2kki s ILE 71 Cb 0.03 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2kki s ILE 71 CO 0.07 0.46 0.14 -0.22 0.00 0.00 0.00 174.94 175.40 2kki s LEU 72 N 0.35 4.00 0.04 2.97 0.20 -1.26 -2.55 118.68 122.42 2kki s LEU 72 Ca 0.03 -0.46 0.05 0.00 0.69 0.00 0.00 54.13 54.45 2kki s LEU 72 Cb -0.12 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2kki s LEU 72 CO 0.00 -0.16 -0.15 0.00 -0.29 0.00 0.00 176.35 175.75 2kki s ARG 73 N 1.62 1.00 -0.22 1.98 1.70 -0.38 -3.25 118.95 121.40 2kki s ARG 73 Ca 0.05 -0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 54.29 2kki s ARG 73 Cb -0.17 -1.02 -0.01 0.00 -0.57 0.00 0.00 34.95 33.19 2kki s ARG 73 CO 0.06 0.25 0.86 0.42 -1.08 0.00 0.00 175.30 175.81 2kki s ILE 74 N -0.82 4.83 0.60 4.99 -1.09 -1.16 0.10 121.20 128.66 2kki s ILE 74 Ca 0.02 1.64 0.29 0.00 -2.23 0.00 0.00 60.65 60.38 2kki s ILE 74 Cb -0.08 -4.15 0.37 0.00 -1.58 0.00 0.00 42.46 37.02 2kki s ILE 74 CO 0.01 -0.06 1.90 -1.28 -1.23 0.00 0.00 174.94 174.28 2kki h SER 75 N 7.54 0.00 0.00 3.58 0.87 -1.22 -3.28 113.55 121.05 2kki h SER 75 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2kki h SER 75 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2kki h SER 75 CO 0.87 0.00 -0.07 0.50 -0.53 0.00 0.00 176.83 177.60 2kki h LYS 76 N 0.00 0.00 -5.81 2.24 1.63 -1.92 -3.47 116.57 109.24 2kki h LYS 76 Ca 0.18 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.39 2kki h LYS 76 Cb 1.10 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.63 2kki h LYS 76 CO -0.00 0.00 -0.56 0.99 -3.45 0.00 0.00 179.45 176.43 2kki s THR 77 N -1.59 2.21 -1.10 1.00 2.01 -1.24 -5.05 115.64 111.88 2kki s THR 77 Ca -0.02 -1.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.05 2kki s THR 77 Cb 0.00 -2.96 0.29 0.00 0.01 0.00 0.00 72.50 69.85 2kki s THR 77 CO 0.03 -0.03 1.48 0.00 -0.69 0.00 0.00 174.62 175.41 2kki n GLN 78 N -1.07 4.32 -3.51 4.92 3.00 -1.26 -4.01 117.38 119.77 2kki n GLN 78 Ca -0.03 -4.46 -0.41 0.00 -0.01 0.00 0.00 57.00 52.08 2kki n GLN 78 Cb 0.65 -2.55 -0.10 0.00 0.00 0.00 0.00 30.24 28.24 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2kki s LEU 79 N -2.41 4.78 0.20 1.08 1.02 -1.26 -3.33 118.68 118.75 2kki s LEU 79 Ca 0.32 -0.70 0.06 0.00 0.02 0.00 0.00 54.13 53.83 2kki s LEU 79 Cb 0.04 -2.13 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 2kki s LEU 79 CO 0.08 -0.34 0.15 -0.31 0.02 0.00 0.00 176.35 175.95 2kki s TYR 80 N 1.68 3.11 -0.19 0.29 1.51 0.15 -2.97 117.35 120.93 2kki s TYR 80 Ca 0.05 -0.06 -0.25 0.00 -1.01 0.00 0.00 57.07 55.80 2kki s TYR 80 Cb -0.18 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2kki s TYR 80 CO 0.10 0.52 0.81 0.08 -1.11 0.00 0.00 175.55 175.95 2kki s VAL 81 N -1.91 4.89 0.06 0.71 1.01 -1.20 -0.36 120.40 123.60 2kki s VAL 81 Ca 0.31 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 2kki s VAL 81 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2kki s VAL 81 CO 0.24 0.01 0.35 0.42 0.00 0.00 0.00 175.10 176.12 2kki s THR 82 N 2.30 5.17 -0.29 3.92 -4.23 -0.52 -2.30 115.64 119.69 2kki s THR 82 Ca 0.36 0.30 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 2kki s THR 82 Cb -0.16 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.03 2kki s THR 82 CO 0.11 0.28 0.16 0.00 -0.54 0.00 0.00 174.62 174.63 2kki s ALA 83 N -1.40 3.39 0.00 3.99 0.00 -0.98 -3.16 121.76 123.59 2kki s ALA 83 Ca 0.32 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kki s ALA 83 Cb -0.13 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.59 2kki s ALA 83 CO 0.18 -0.68 0.00 0.94 0.00 0.00 0.00 175.76 176.21 2kki n GLN 84 N 5.02 0.00 -3.46 0.00 -0.06 -1.26 -4.95 117.38 112.67 2kki n GLN 84 Ca -0.14 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.70 2kki n GLN 84 Cb 0.51 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.57 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 1.13 0.75 1.69 2.15 -1.26 -4.87 116.67 115.26 2kki s ASP 85 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2kki s ASP 85 Cb 0.00 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 2kki s ASP 85 CO 0.00 -0.32 0.00 1.21 -0.17 0.00 0.00 175.17 175.89 2kki n GLU 86 N 5.33 0.00 -2.21 4.34 4.07 -1.20 -3.28 120.64 127.70 2kki n GLU 86 Ca -0.05 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.70 2kki n GLU 86 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.84 2kki n GLU 86 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kki n ASP 87 N 0.62 3.81 -3.67 4.31 -0.08 -1.00 -2.62 116.55 117.93 2kki n ASP 87 Ca 0.00 -2.79 -0.13 0.00 -1.51 0.00 0.00 54.79 50.36 2kki n ASP 87 Cb 0.00 -1.71 -0.13 0.00 2.34 0.00 0.00 41.12 41.63 2kki n ASP 87 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kki s GLN 88 N 5.39 0.18 0.59 -0.67 -1.52 -1.20 -4.89 119.66 117.53 2kki s GLN 88 Ca 0.61 0.79 -0.20 0.00 -1.95 0.00 0.00 55.36 54.61 2kki s GLN 88 Cb 0.03 0.02 -0.03 0.00 -0.22 0.00 0.00 33.01 32.80 2kki s GLN 88 CO 0.11 -0.27 1.33 -1.25 -0.25 0.00 0.00 175.29 174.95 2kki s PRO 89 N 2.39 2.91 0.20 2.91 0.04 -1.26 -3.29 135.00 138.90 2kki s PRO 89 Ca 0.00 2.15 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 2kki s PRO 89 Cb -0.12 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 2kki s PRO 89 CO -0.09 -1.34 1.69 0.14 0.04 0.00 0.00 177.00 177.44 2kki s VAL 90 N -1.35 2.15 0.04 -0.36 -7.23 -0.55 -4.73 120.40 108.36 2kki s VAL 90 Ca 0.76 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.97 2kki s VAL 90 Cb -0.39 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2kki s VAL 90 CO 0.44 0.01 0.30 -0.76 -0.31 0.00 0.00 175.10 174.78 2kki s LEU 91 N 1.16 4.36 -0.56 1.32 1.43 -1.19 -4.84 118.68 120.36 2kki s LEU 91 Ca 0.74 0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 2kki s LEU 91 Cb -0.49 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.01 2kki s LEU 91 CO 0.32 0.22 0.72 -0.76 0.23 0.00 0.00 176.35 177.07 2kki s LEU 92 N -1.89 5.00 -0.25 1.79 1.43 -1.25 -1.44 118.68 122.08 2kki s LEU 92 Ca 0.30 -1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.12 2kki s LEU 92 Cb -0.13 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2kki s LEU 92 CO 0.18 -1.06 0.62 -1.59 0.23 0.00 0.00 176.35 174.72 2kki s LYS 93 N 2.91 4.12 -0.80 1.70 -2.85 0.52 -4.82 119.74 120.52 2kki s LYS 93 Ca 0.16 0.53 -0.17 0.00 -1.00 0.00 0.00 55.97 55.48 2kki s LYS 93 Cb -0.20 -3.64 0.15 0.00 -2.06 0.00 0.00 37.83 32.08 2kki s LYS 93 CO 0.10 -0.38 0.90 -1.21 0.10 0.00 0.00 175.35 174.86 2kki s GLU 94 N 2.39 3.43 -0.26 1.78 2.02 -1.26 0.32 118.70 127.12 2kki s GLU 94 Ca 0.26 -1.83 -0.01 0.00 0.02 0.00 0.00 54.97 53.42 2kki s GLU 94 Cb -0.16 -4.57 0.03 0.00 0.10 0.00 0.00 34.13 29.54 2kki s GLU 94 CO 0.09 -1.56 -0.06 1.41 0.02 0.00 0.00 175.26 175.15 2kki s MET 95 N 1.96 2.68 -0.10 1.61 1.75 -1.21 -4.99 119.30 121.01 2kki s MET 95 Ca 0.22 -1.08 -0.27 0.00 -1.25 0.00 0.00 55.69 53.31 2kki s MET 95 Cb -0.12 -2.99 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 2kki s MET 95 CO -0.04 -0.46 0.90 -1.25 -0.65 0.00 0.00 175.02 173.52 2kki s PRO 96 N 1.28 4.42 0.33 4.11 0.05 -1.26 -4.74 135.00 139.18 2kki s PRO 96 Ca -0.02 1.20 0.00 0.00 0.05 0.00 0.00 61.00 62.23 2kki s PRO 96 Cb -0.17 -3.52 0.00 0.00 0.05 0.00 0.00 34.50 30.86 2kki s PRO 96 CO -0.04 -0.20 0.00 0.39 0.05 0.00 0.00 177.00 177.20 2kki n GLU 97 N 4.64 -2.47 -2.06 4.56 1.02 -1.26 -4.82 120.64 120.25 2kki n GLU 97 Ca 0.05 1.89 -0.42 0.00 -0.02 0.00 0.00 57.16 58.66 2kki n GLU 97 Cb 0.50 -2.28 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 2kki n GLU 97 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2kki s ILE 98 N -4.16 3.66 0.36 -3.67 -1.09 -1.26 -4.97 121.20 110.07 2kki s ILE 98 Ca 0.00 0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 58.97 2kki s ILE 98 Cb 0.00 -3.52 -0.09 0.00 -1.58 0.00 0.00 42.46 37.26 2kki s ILE 98 CO 0.00 -0.08 1.00 -2.84 -1.23 0.00 0.00 174.94 171.80 2kki s PRO 99 N 4.00 4.37 -0.03 2.79 0.02 -1.26 -4.96 135.00 139.93 2kki s PRO 99 Ca 0.71 1.43 0.16 0.00 0.02 0.00 0.00 61.00 63.32 2kki s PRO 99 Cb -0.32 -2.66 -0.24 0.00 0.02 0.00 0.00 34.50 31.29 2kki s PRO 99 CO 0.28 0.06 0.33 1.17 -0.33 0.00 0.00 177.00 178.51 2kki n LYS 100 N 0.23 0.54 -3.88 5.54 4.81 -1.26 -3.92 118.16 120.21 2kki n LYS 100 Ca 0.03 -0.14 -0.30 0.00 -0.87 0.00 0.00 58.31 57.04 2kki n LYS 100 Cb 0.50 -1.38 -0.16 0.00 0.02 0.00 0.00 35.03 34.01 2kki n LYS 100 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2kki s THR 101 N -3.07 1.30 -0.22 3.15 -1.32 -1.26 -2.89 115.64 111.33 2kki s THR 101 Ca -0.06 -1.16 -0.08 0.00 -1.21 0.00 0.00 61.69 59.18 2kki s THR 101 Cb 0.10 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 2kki s THR 101 CO 0.66 -0.20 0.08 -0.63 -2.21 0.00 0.00 174.62 172.32 2kki s ILE 102 N 1.48 4.69 -0.05 5.08 1.01 -0.49 -4.85 121.20 128.07 2kki s ILE 102 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2kki s ILE 102 Cb -0.18 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2kki s ILE 102 CO -0.08 0.38 -0.15 0.28 0.00 0.00 0.00 174.94 175.37 2kki s THR 103 N 1.04 1.30 0.00 2.92 -1.32 -1.26 0.32 115.64 118.64 2kki s THR 103 Ca 0.05 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2kki s THR 103 Cb -0.14 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 2kki s THR 103 CO 0.03 0.38 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 2kki n GLY 104 N 3.37 0.00 0.27 6.08 0.00 -1.26 -3.33 105.19 110.32 2kki n GLY 104 Ca -0.20 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.01 2kki n GLY 104 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kki h SER 105 N 0.00 0.00 0.00 1.61 0.87 -2.01 -1.93 113.55 112.09 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.68 2kki n GLU 106 N -2.86 1.00 0.00 2.24 4.71 -1.21 -3.58 120.64 120.93 2kki n GLU 106 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.21 2kki n GLU 106 Cb 0.15 -1.22 0.36 0.00 -1.01 0.00 0.00 31.44 29.72 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2kki n THR 107 N -0.72 0.72 -0.04 2.62 5.66 -0.73 -1.52 114.28 120.26 2kki n THR 107 Ca 0.11 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 2kki n THR 107 Cb 0.05 -0.93 0.30 0.00 -1.55 0.00 0.00 70.33 68.20 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 0.57 -0.60 1.09 -0.26 -1.82 -3.22 115.58 111.34 2kki h ASN 108 Ca 0.00 -0.08 -0.37 0.00 -0.56 0.00 0.00 56.30 55.29 2kki h ASN 108 Cb 0.18 -0.15 -0.18 0.00 -1.06 0.00 0.00 38.32 37.12 2kki h ASN 108 CO 0.00 0.55 0.48 -0.11 -1.06 0.00 0.00 177.43 177.29 2kki n LEU 109 N -4.34 6.18 -4.81 1.61 7.94 -0.58 -2.32 117.00 120.69 2kki n LEU 109 Ca 0.03 -3.24 -0.36 0.00 -1.11 0.00 0.00 56.01 51.33 2kki n LEU 109 Cb 0.18 -0.91 -0.07 0.00 0.53 0.00 0.00 43.42 43.15 2kki n LEU 109 CO 0.38 1.11 -0.21 -1.48 -1.11 0.00 0.00 177.39 176.08 2kki s LEU 110 N -2.18 4.16 -0.11 -1.96 0.05 -1.22 -4.40 118.68 113.03 2kki s LEU 110 Ca 0.37 0.36 -0.05 0.00 0.05 0.00 0.00 54.13 54.86 2kki s LEU 110 Cb 0.30 -2.01 0.05 0.00 -2.05 0.00 0.00 46.19 42.48 2kki s LEU 110 CO 0.02 0.38 0.25 0.72 -0.55 0.00 0.00 176.35 177.17 2kki s PHE 111 N -0.85 -0.35 -0.52 3.48 -0.12 -1.14 -4.13 117.98 114.35 2kki s PHE 111 Ca 0.14 0.83 -0.25 0.00 -0.05 0.00 0.00 56.93 57.59 2kki s PHE 111 Cb -0.12 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.33 2kki s PHE 111 CO 0.03 -0.26 0.96 0.12 -0.05 0.00 0.00 175.22 176.02 2kki s PHE 112 N 1.51 2.83 -0.47 3.49 5.36 0.41 -2.26 117.98 128.85 2kki s PHE 112 Ca -0.07 0.21 -0.19 0.00 -0.96 0.00 0.00 56.93 55.91 2kki s PHE 112 Cb -0.11 -4.08 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 2kki s PHE 112 CO -0.09 -1.27 0.59 1.67 -1.46 0.00 0.00 175.22 174.66 2kki s TRP 113 N 3.98 3.08 -0.36 10.12 1.48 -1.25 -1.45 118.94 134.53 2kki s TRP 113 Ca 0.35 -0.36 -0.10 0.00 -1.06 0.00 0.00 56.10 54.92 2kki s TRP 113 Cb -0.11 -3.34 0.02 0.00 -1.16 0.00 0.00 33.47 28.89 2kki s TRP 113 CO 0.23 -0.91 0.19 -2.00 -4.06 0.00 0.00 176.95 170.40 2kki s GLU 114 N 2.58 2.91 -0.26 3.25 -6.30 -0.68 -4.99 118.70 115.21 2kki s GLU 114 Ca 0.17 -1.02 -0.13 0.00 -2.50 0.00 0.00 54.97 51.49 2kki s GLU 114 Cb -0.17 -3.69 -0.04 0.00 0.00 0.00 0.00 34.13 30.23 2kki s GLU 114 CO 0.14 -0.65 0.27 0.99 0.02 0.00 0.00 175.26 176.03 2kki s THR 115 N 1.56 5.27 -0.35 -1.70 2.01 -1.26 -1.48 115.64 119.68 2kki s THR 115 Ca 0.02 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.39 2kki s THR 115 Cb -0.19 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 68.83 2kki s THR 115 CO 0.06 0.24 0.13 -2.28 -0.69 0.00 0.00 174.62 172.09 2kki s HIS 116 N 1.63 2.12 0.00 4.92 2.46 -0.04 -4.99 115.29 121.39 2kki s HIS 116 Ca 0.11 -2.13 0.00 0.00 0.47 0.00 0.00 55.06 53.51 2kki s HIS 116 Cb -0.15 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 2kki s HIS 116 CO 0.09 -0.86 0.00 0.41 -2.47 0.00 0.00 174.74 171.90 2kki n GLY 117 N 4.39 1.54 0.14 1.59 0.00 -1.26 -3.03 105.19 108.57 2kki n GLY 117 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 1.20 -1.92 2.61 -2.24 -1.26 -5.00 114.28 107.67 2kki n THR 118 Ca 0.00 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 2kki n THR 118 Cb 0.00 -1.35 0.08 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.41 2.14 -0.06 -0.78 -2.85 -1.17 -4.13 119.74 110.48 2kki s LYS 119 Ca -0.29 0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 2kki s LYS 119 Cb 0.08 -1.98 0.07 0.00 -2.06 0.00 0.00 37.83 33.94 2kki s LYS 119 CO 0.46 -1.48 0.66 0.54 0.10 0.00 0.00 175.35 175.63 2kki s ASN 120 N -4.54 -0.63 0.30 0.03 4.22 0.37 -0.86 114.94 113.84 2kki s ASN 120 Ca 0.61 0.70 0.09 0.00 -2.14 0.00 0.00 52.86 52.12 2kki s ASN 120 Cb -0.11 0.56 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 2kki s ASN 120 CO 0.49 -0.58 0.05 -0.72 -2.04 0.00 0.00 177.10 174.30 2kki s TYR 121 N -1.14 2.68 -0.32 1.54 -0.85 -0.55 -0.61 117.35 118.10 2kki s TYR 121 Ca -0.11 -0.31 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 2kki s TYR 121 Cb -0.01 -1.39 0.10 0.00 0.38 0.00 0.00 41.96 41.04 2kki s TYR 121 CO 0.09 0.50 0.06 -0.06 -1.52 0.00 0.00 175.55 174.63 2kki s PHE 122 N -2.39 2.71 0.03 -3.49 0.08 -1.25 -1.69 117.98 111.99 2kki s PHE 122 Ca 0.34 -2.32 -0.19 0.00 0.12 0.00 0.00 56.93 54.88 2kki s PHE 122 Cb -0.04 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.10 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 1.27 4.84 -0.02 0.64 2.01 -0.53 -1.52 115.64 122.34 2kki s THR 123 Ca 0.09 1.18 -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 -0.16 0.50 1.40 -0.55 -0.69 0.00 0.00 174.62 175.13 2kki s SER 124 N -0.73 6.85 0.40 3.53 0.15 -0.69 0.16 113.70 123.37 2kki s SER 124 Ca 0.29 2.08 0.21 0.00 0.70 0.00 0.00 55.95 59.23 2kki s SER 124 Cb -0.19 -2.56 0.70 0.00 -1.71 0.00 0.00 66.02 62.26 2kki s SER 124 CO 0.17 -0.73 1.73 0.58 1.20 0.00 0.00 173.24 176.20 2kki h VAL 125 N 5.00 0.64 -0.04 4.45 2.07 -1.89 -2.42 116.25 124.06 2kki h VAL 125 Ca -0.37 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.70 2kki h VAL 125 Cb 1.17 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2kki h VAL 125 CO 0.91 0.29 -0.22 0.00 0.02 0.00 0.00 177.57 178.56 2kki h ALA 126 N 1.71 0.08 -2.41 1.67 0.00 -1.89 -3.43 119.26 115.00 2kki h ALA 126 Ca -0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2kki h ALA 126 Cb 0.90 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.36 2kki h ALA 126 CO 0.04 0.08 -0.56 -1.58 0.00 0.00 0.00 179.25 177.23 2kki s HIS 127 N -3.56 -0.48 0.39 0.00 5.65 -1.03 -5.04 115.29 111.23 2kki s HIS 127 Ca -0.15 0.58 0.11 0.00 0.25 0.00 0.00 55.06 55.85 2kki s HIS 127 Cb 0.02 -0.17 0.90 0.00 -1.18 0.00 0.00 32.58 32.15 2kki s HIS 127 CO 0.74 -0.58 1.93 -1.00 -0.65 0.00 0.00 174.74 175.18 2kki h PRO 128 N 8.27 0.56 0.00 2.88 0.13 -1.75 -0.83 132.00 141.25 2kki h PRO 128 Ca -0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2kki h PRO 128 Cb 1.14 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kki h PRO 128 CO 0.25 0.37 0.00 0.09 -0.23 0.00 0.00 178.00 178.48 2kki n ASN 129 N -4.50 0.00 -4.77 1.44 5.03 -1.26 -3.93 115.26 107.27 2kki n ASN 129 Ca 0.13 -0.02 -0.36 0.00 0.87 0.00 0.00 54.58 55.20 2kki n ASN 129 Cb 0.39 -0.19 -0.07 0.00 -1.02 0.00 0.00 39.78 38.90 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kki s LEU 130 N -2.38 4.29 -0.13 3.41 1.43 -0.32 -1.17 118.68 123.82 2kki s LEU 130 Ca 0.12 0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 53.64 2kki s LEU 130 Cb 0.07 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2kki s LEU 130 CO 0.14 0.20 0.33 0.12 0.23 0.00 0.00 176.35 177.36 2kki s PHE 131 N -0.01 -0.41 -0.67 0.29 5.36 -0.81 -1.71 117.98 120.02 2kki s PHE 131 Ca 0.16 0.95 -0.22 0.00 -0.96 0.00 0.00 56.93 56.86 2kki s PHE 131 Cb -0.13 0.14 0.08 0.00 -0.34 0.00 0.00 43.02 42.77 2kki s PHE 131 CO 0.04 -0.23 0.94 0.42 -1.46 0.00 0.00 175.22 174.93 2kki s ILE 132 N 0.75 4.42 0.23 3.12 -1.09 -0.58 -2.97 121.20 125.09 2kki s ILE 132 Ca -0.05 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 2kki s ILE 132 Cb -0.06 -4.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.10 2kki s ILE 132 CO -0.05 -1.42 0.47 0.00 -1.23 0.00 0.00 174.94 172.71 2kki s ALA 133 N 3.78 3.72 -0.06 9.38 0.00 -0.22 -4.35 121.76 134.01 2kki s ALA 133 Ca 0.22 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2kki s ALA 133 Cb -0.17 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.79 2kki s ALA 133 CO 0.08 0.39 -0.12 0.95 0.00 0.00 0.00 175.76 177.06 2kki s THR 134 N -1.93 1.14 0.11 0.00 -4.23 0.27 -3.28 115.64 107.72 2kki s THR 134 Ca 0.42 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2kki s THR 134 Cb -0.11 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 2kki s THR 134 CO 0.28 0.35 0.02 -0.54 -0.54 0.00 0.00 174.62 174.20 2kki s LYS 135 N 0.61 2.59 0.28 3.99 3.01 -1.26 -3.01 119.74 125.96 2kki s LYS 135 Ca -0.14 -0.86 0.13 0.00 -1.01 0.00 0.00 55.97 54.10 2kki s LYS 135 Cb -0.15 -2.55 0.34 0.00 -1.01 0.00 0.00 37.83 34.46 2kki s LYS 135 CO 0.04 0.53 1.58 1.96 0.51 0.00 0.00 175.35 179.96 2kki h GLN 136 N 3.25 0.00 0.00 1.68 4.20 -1.94 -3.38 115.11 118.92 2kki h GLN 136 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2kki h GLN 136 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2kki h GLN 136 CO 0.60 0.58 -0.62 -3.47 -0.67 0.00 0.00 178.83 175.26 2kki n ASP 137 N -3.56 2.74 -4.43 1.46 -0.08 -1.26 -4.74 116.55 106.68 2kki n ASP 137 Ca -0.00 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.10 2kki n ASP 137 Cb 0.64 0.14 0.08 0.00 2.34 0.00 0.00 41.12 44.32 2kki n ASP 137 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kki n TYR 138 N -1.82 -2.63 -1.35 -0.67 4.01 -1.26 -4.88 117.16 108.56 2kki n TYR 138 Ca 0.00 -1.72 -0.30 0.00 -0.16 0.00 0.00 57.90 55.72 2kki n TYR 138 Cb 0.31 -0.54 0.12 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.35 2.54 -0.45 -0.72 0.51 -1.26 -3.95 118.94 113.26 2kki s TRP 139 Ca 0.55 1.23 -0.27 0.00 -2.12 0.00 0.00 56.10 55.48 2kki s TRP 139 Cb -0.04 -3.14 -0.03 0.00 -0.81 0.00 0.00 33.47 29.45 2kki s TRP 139 CO 0.36 -2.11 1.96 0.54 -0.51 0.00 0.00 176.95 177.18 2kki s VAL 140 N -3.02 3.32 0.00 4.03 0.11 -0.14 -4.31 120.40 120.39 2kki s VAL 140 Ca 0.62 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 2kki s VAL 140 Cb -0.16 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 2kki s VAL 140 CO 0.56 -0.49 0.00 0.00 -3.33 0.00 0.00 175.10 171.84 2kki s LEU 142 N 0.00 2.39 0.08 0.00 2.96 -1.21 -1.05 118.68 121.85 2kki s LEU 142 Ca 0.00 -0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 52.70 2kki s LEU 142 Cb 0.00 0.27 0.08 0.00 0.50 0.00 0.00 46.19 47.04 2kki s LEU 142 CO 0.00 -0.60 0.84 0.00 -1.32 0.00 0.00 176.35 175.27 2kki s ALA 143 N -3.82 -1.70 -0.32 5.97 0.00 -1.08 -2.38 121.76 118.42 2kki s ALA 143 Ca 0.06 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2kki s ALA 143 Cb 0.07 0.59 0.48 0.00 0.00 0.00 0.00 23.12 24.26 2kki s ALA 143 CO -0.10 -0.81 1.65 0.41 0.00 0.00 0.00 175.76 176.91 2kki n GLY 144 N -0.34 3.75 0.00 0.00 0.00 -0.31 -1.92 105.19 106.37 2kki n GLY 144 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.64 1.06 3.18 -0.02 0.00 -1.26 -4.76 105.19 102.74 2kki n GLY 145 Ca 0.42 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2kki n GLY 145 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kki s PRO 146 N -0.59 2.61 0.00 1.61 0.04 -1.26 -4.58 135.00 132.84 2kki s PRO 146 Ca 0.00 -0.77 0.12 0.00 0.04 0.00 0.00 61.00 60.39 2kki s PRO 146 Cb 0.00 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 2kki s PRO 146 CO 0.00 0.19 0.72 -0.35 0.04 0.00 0.00 177.00 177.60 2kki n PRO 147 N 3.46 1.90 -2.81 0.56 -0.04 -1.26 -5.02 135.00 131.78 2kki n PRO 147 Ca -0.19 -0.70 -0.41 0.00 -0.04 0.00 0.00 63.50 62.16 2kki n PRO 147 Cb 0.53 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2kki n PRO 147 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2kki s SER 148 N -1.55 7.38 -0.67 3.54 0.01 -1.26 -5.02 113.70 116.12 2kki s SER 148 Ca 0.10 1.65 -0.21 0.00 1.31 0.00 0.00 55.95 58.81 2kki s SER 148 Cb 0.10 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.88 2kki s SER 148 CO 0.31 -0.07 0.89 -0.63 0.41 0.00 0.00 173.24 174.15 2kki s ILE 149 N 0.14 4.57 -0.31 1.44 1.09 -1.16 -4.86 121.20 122.11 2kki s ILE 149 Ca 0.45 -0.78 -0.01 0.00 -1.10 0.00 0.00 60.65 59.21 2kki s ILE 149 Cb -0.22 -4.63 0.23 0.00 -1.06 0.00 0.00 42.46 36.79 2kki s ILE 149 CO 0.27 -1.34 1.93 0.41 -0.10 0.00 0.00 174.94 176.11 2kki n THR 150 N 5.70 2.68 -3.74 2.92 -1.04 -1.26 0.95 114.28 120.49 2kki n THR 150 Ca -0.02 -1.56 -0.34 0.00 -2.04 0.00 0.00 64.05 60.09 2kki n THR 150 Cb 0.45 -1.25 -0.05 0.00 -1.82 0.00 0.00 70.33 67.66 2kki n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kki s ASP 151 N 0.11 6.50 0.21 8.00 1.01 -1.26 -3.73 116.67 127.51 2kki s ASP 151 Ca 0.31 0.57 -0.00 0.00 0.71 0.00 0.00 52.55 54.14 2kki s ASP 151 Cb 0.24 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 2kki s ASP 151 CO 0.00 0.23 0.13 -0.36 0.21 0.00 0.00 175.17 175.38 2kki s PHE 152 N -1.34 1.24 -0.15 4.23 0.08 0.22 -3.76 117.98 118.50 2kki s PHE 152 Ca 0.29 -1.36 -0.27 0.00 0.12 0.00 0.00 56.93 55.71 2kki s PHE 152 Cb -0.13 -0.62 0.07 0.00 -0.57 0.00 0.00 43.02 41.77 2kki s PHE 152 CO 0.17 -0.60 0.67 -0.65 -0.10 0.00 0.00 175.22 174.71 2kki s GLN 153 N -4.12 0.92 -0.38 0.44 -0.21 0.30 -0.48 119.66 116.14 2kki s GLN 153 Ca 0.39 0.57 -0.19 0.00 0.02 0.00 0.00 55.36 56.15 2kki s GLN 153 Cb 0.07 0.44 0.00 0.00 1.00 0.00 0.00 33.01 34.52 2kki s GLN 153 CO 0.13 -0.21 0.53 0.42 -2.12 0.00 0.00 175.29 174.04 2kki s ILE 154 N -0.46 4.99 -0.26 1.08 1.09 -1.26 -2.76 121.20 123.62 2kki s ILE 154 Ca -0.06 0.22 -0.06 0.00 -1.10 0.00 0.00 60.65 59.65 2kki s ILE 154 Cb -0.03 -4.02 -0.00 0.00 -1.06 0.00 0.00 42.46 37.35 2kki s ILE 154 CO 0.05 -0.32 0.03 -0.76 -0.10 0.00 0.00 174.94 173.85 2kki s LEU 155 N 2.45 3.44 0.45 2.97 1.43 -0.10 -4.91 118.68 124.41 2kki s LEU 155 Ca 0.19 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 2kki s LEU 155 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2kki s LEU 155 CO 0.14 -0.11 0.76 -1.61 0.23 0.00 0.00 176.35 175.77 2kki s GLU 156 N 1.50 3.59 0.50 1.70 8.01 -1.26 -0.58 118.70 132.16 2kki s GLU 156 Ca 0.04 0.23 -0.09 0.00 0.01 0.00 0.00 54.97 55.16 2kki s GLU 156 Cb -0.16 -2.40 -0.05 0.00 -4.31 0.00 0.00 34.13 27.21 2kki s GLU 156 CO 0.00 -0.14 0.86 1.21 0.01 0.00 0.00 175.26 177.21 2kki s ASN 157 N -3.87 6.33 -0.02 -0.19 2.47 -1.26 -4.61 114.94 113.80 2kki s ASN 157 Ca 0.48 1.15 -0.23 0.00 0.42 0.00 0.00 52.86 54.68 2kki s ASN 157 Cb -0.10 -2.34 -0.16 0.00 -1.45 0.00 0.00 41.25 37.19 2kki s ASN 157 CO 0.41 -0.62 1.04 -0.61 -3.72 0.00 0.00 177.10 173.60 2kki h GLN 158 N 0.34 -0.29 0.00 0.43 5.75 -1.91 -3.48 115.11 115.95 2kki h GLN 158 Ca -0.46 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 2kki h GLN 158 Cb 1.20 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2kki h GLN 158 CO 0.62 0.09 0.00 0.00 -2.65 0.00 0.00 178.83 176.89