#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 5.23 -0.21 2.41 1.01 -1.26 -5.06 120.40 122.52 2kki s VAL 10 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 2kki s VAL 10 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2kki s VAL 10 CO 0.00 0.34 0.11 -0.54 0.00 0.00 0.00 175.10 175.01 2kki s LYS 11 N 0.64 4.04 -0.42 2.72 1.02 -1.26 -4.67 119.74 121.82 2kki s LYS 11 Ca 0.22 -0.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.78 2kki s LYS 11 Cb -0.14 -3.37 0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2kki s LYS 11 CO 0.08 0.20 0.31 0.71 -0.92 0.00 0.00 175.35 175.72 2kki s TYR 12 N 0.63 3.26 -0.06 3.18 2.02 0.53 -4.71 117.35 122.20 2kki s TYR 12 Ca 0.06 -0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 55.85 2kki s TYR 12 Cb -0.12 -2.80 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 2kki s TYR 12 CO 0.01 -0.71 -0.01 0.54 -1.57 0.00 0.00 175.55 173.82 2kki s ASN 13 N 2.01 5.13 0.26 2.29 4.22 -1.14 0.70 114.94 128.42 2kki s ASN 13 Ca 0.04 0.08 -0.30 0.00 -2.14 0.00 0.00 52.86 50.54 2kki s ASN 13 Cb -0.21 -1.40 -0.11 0.00 1.28 0.00 0.00 41.25 40.81 2kki s ASN 13 CO 0.07 0.35 1.52 0.72 -2.04 0.00 0.00 177.10 177.72 2kki s PHE 14 N -0.94 2.90 -0.08 1.54 -0.71 -0.58 0.33 117.98 120.45 2kki s PHE 14 Ca 0.15 0.88 -0.07 0.00 -1.04 0.00 0.00 56.93 56.85 2kki s PHE 14 Cb -0.11 -3.94 -0.02 0.00 -1.21 0.00 0.00 43.02 37.73 2kki s PHE 14 CO 0.05 -3.14 -0.14 -0.12 -1.34 0.00 0.00 175.22 170.52 2kki n MET 15 N 2.38 0.26 -3.56 1.99 1.56 -0.67 -4.68 117.12 114.40 2kki n MET 15 Ca 0.08 0.24 -0.16 0.00 -0.27 0.00 0.00 57.70 57.59 2kki n MET 15 Cb 0.39 -1.10 -0.06 0.00 2.15 0.00 0.00 33.22 34.59 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 -1.84 0.93 -0.31 2.12 1.04 -1.21 -5.02 118.95 114.66 2kki s ARG 16 Ca -0.12 0.47 -0.29 0.00 -1.04 0.00 0.00 55.73 54.76 2kki s ARG 16 Cb 0.02 0.44 0.02 0.00 -2.04 0.00 0.00 34.95 33.38 2kki s ARG 16 CO 0.18 -0.24 1.09 -1.50 -0.04 0.00 0.00 175.30 174.78 2kki s ILE 17 N -0.67 4.50 0.00 4.99 2.07 -1.26 -1.05 121.20 129.78 2kki s ILE 17 Ca -0.06 1.74 0.00 0.00 -1.41 0.00 0.00 60.65 60.92 2kki s ILE 17 Cb -0.02 -4.38 0.00 0.00 0.13 0.00 0.00 42.46 38.19 2kki s ILE 17 CO 0.06 -0.44 0.00 -0.38 -1.91 0.00 0.00 174.94 172.26 2kki n ILE 18 N 5.82 0.00 -4.21 2.00 5.41 -0.74 -4.95 119.36 122.70 2kki n ILE 18 Ca 0.12 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.64 2kki n ILE 18 Cb 0.47 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.34 2kki n ILE 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2kki s LYS 19 N 1.75 2.57 0.09 0.38 -2.85 -1.15 -4.88 119.74 115.65 2kki s LYS 19 Ca 0.00 -1.23 -0.11 0.00 -1.00 0.00 0.00 55.97 53.63 2kki s LYS 19 Cb 0.00 -2.35 0.01 0.00 -2.06 0.00 0.00 37.83 33.43 2kki s LYS 19 CO 0.00 0.39 0.25 1.52 0.10 0.00 0.00 175.35 177.61 2kki s TYR 20 N -2.18 0.03 -1.46 1.78 1.13 -1.26 -0.45 117.35 114.94 2kki s TYR 20 Ca 0.32 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.49 2kki s TYR 20 Cb -0.07 0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.85 2kki s TYR 20 CO 0.22 -0.58 0.88 0.39 -2.51 0.00 0.00 175.55 173.95 2kki n GLU 21 N -0.03 -6.09 -4.08 -3.49 1.02 -0.24 -4.95 120.64 102.78 2kki n GLU 21 Ca -0.16 0.80 -0.25 0.00 -0.02 0.00 0.00 57.16 57.53 2kki n GLU 21 Cb 0.62 -5.74 -0.05 0.00 -0.02 0.00 0.00 31.44 26.26 2kki n GLU 21 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2kki s PHE 22 N -3.23 3.17 -0.11 -0.32 0.08 -1.22 -4.92 117.98 111.42 2kki s PHE 22 Ca 0.48 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.39 2kki s PHE 22 Cb -0.22 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2kki s PHE 22 CO 0.59 0.52 0.25 0.42 -0.10 0.00 0.00 175.22 176.89 2kki s ILE 23 N -1.81 5.32 -0.26 0.64 -1.09 -0.30 -2.41 121.20 121.29 2kki s ILE 23 Ca 0.31 0.46 -0.13 0.00 -2.23 0.00 0.00 60.65 59.07 2kki s ILE 23 Cb -0.10 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2kki s ILE 23 CO 0.24 0.52 0.26 -0.22 -1.23 0.00 0.00 174.94 174.51 2kki s LEU 24 N -0.44 4.06 0.03 2.97 0.20 -1.26 -1.14 118.68 123.09 2kki s LEU 24 Ca 0.17 0.16 0.04 0.00 0.69 0.00 0.00 54.13 55.18 2kki s LEU 24 Cb -0.13 -2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 2kki s LEU 24 CO 0.06 -0.07 -0.11 0.21 -0.29 0.00 0.00 176.35 176.15 2kki s ASN 25 N 1.49 1.30 0.68 3.68 3.84 -0.98 -1.06 114.94 123.89 2kki s ASN 25 Ca 0.11 -0.38 0.00 0.00 0.21 0.00 0.00 52.86 52.80 2kki s ASN 25 Cb -0.15 -0.08 0.12 0.00 -0.55 0.00 0.00 41.25 40.59 2kki s ASN 25 CO 0.09 0.01 0.86 -0.90 -2.79 0.00 0.00 177.10 174.38 2kki n ASP 26 N 2.13 1.22 0.28 -4.21 5.75 -1.22 0.13 116.55 120.62 2kki n ASP 26 Ca -0.17 -2.02 0.17 0.00 -0.01 0.00 0.00 54.79 52.76 2kki n ASP 26 Cb 0.55 -0.55 0.71 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.55 1.00 0.00 2.12 0.00 -1.86 0.15 119.26 120.13 2kki h ALA 27 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kki h ALA 27 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2kki h ALA 27 CO 0.31 0.00 -0.13 -0.07 0.00 0.00 0.00 179.25 179.36 2kki h LEU 28 N 0.00 0.00 -2.41 0.00 3.38 -1.90 -3.48 115.31 110.90 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 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kki h LEU 28 CO 0.00 0.13 -0.16 -3.20 0.09 0.00 0.00 178.44 175.30 2kki n ASN 29 N -3.23 -7.25 -3.80 -0.43 2.85 0.53 -5.01 115.26 98.91 2kki n ASN 29 Ca 0.01 0.13 -0.28 0.00 -0.11 0.00 0.00 54.58 54.32 2kki n ASN 29 Cb 0.42 -4.90 -0.16 0.00 1.24 0.00 0.00 39.78 36.38 2kki n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kki s GLN 30 N -2.80 0.97 -0.05 1.20 1.11 -1.26 -3.70 119.66 115.13 2kki s GLN 30 Ca 0.08 -0.59 -0.30 0.00 0.01 0.00 0.00 55.36 54.57 2kki s GLN 30 Cb -0.02 -2.23 -0.05 0.00 -1.01 0.00 0.00 33.01 29.70 2kki s GLN 30 CO 0.68 -0.61 1.52 -1.54 0.01 0.00 0.00 175.29 175.35 2kki s SER 31 N 1.71 6.75 -0.55 5.90 1.04 0.15 -3.40 113.70 125.31 2kki s SER 31 Ca -0.02 2.14 -0.28 0.00 0.48 0.00 0.00 55.95 58.27 2kki s SER 31 Cb -0.17 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.41 2kki s SER 31 CO -0.07 -0.84 1.42 -0.51 0.98 0.00 0.00 173.24 174.21 2kki s ILE 32 N 3.39 3.79 0.17 -1.02 2.07 -0.22 -0.85 121.20 128.53 2kki s ILE 32 Ca 0.68 0.69 0.02 0.00 -1.41 0.00 0.00 60.65 60.63 2kki s ILE 32 Cb -0.32 -4.41 -0.04 0.00 0.13 0.00 0.00 42.46 37.83 2kki s ILE 32 CO 0.27 -1.13 0.32 -0.63 -1.91 0.00 0.00 174.94 171.85 2kki s ILE 33 N 6.03 5.29 -0.41 2.00 1.01 0.96 -2.75 121.20 133.33 2kki s ILE 33 Ca 0.53 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 60.26 2kki s ILE 33 Cb -0.11 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2kki s ILE 33 CO 0.26 -0.14 0.96 -0.60 0.00 0.00 0.00 174.94 175.42 2kki s ARG 34 N -3.35 3.75 -0.15 2.79 3.52 -1.26 -1.29 118.95 122.96 2kki s ARG 34 Ca 0.35 0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 56.40 2kki s ARG 34 Cb -0.11 -3.85 -0.24 0.00 -1.56 0.00 0.00 34.95 29.19 2kki s ARG 34 CO 0.29 -1.09 0.25 0.00 -0.81 0.00 0.00 175.30 173.94 2kki n ALA 35 N 7.05 1.04 -2.40 6.12 0.00 -1.12 -4.95 120.51 126.23 2kki n ALA 35 Ca 0.08 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 2kki n ALA 35 Cb 0.48 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -6.87 0.17 0.00 0.00 -0.87 -0.11 -4.98 114.94 102.27 2kki s ASN 36 Ca -0.24 -1.12 0.23 0.00 -1.57 0.00 0.00 52.86 50.17 2kki s ASN 36 Cb 0.07 0.37 1.26 0.00 -0.02 0.00 0.00 41.25 42.94 2kki s ASN 36 CO 0.74 -0.83 1.77 0.47 -2.57 0.00 0.00 177.10 176.68 2kki n ASP 37 N -0.18 0.00 0.00 -1.22 9.92 -1.26 -3.08 116.55 120.73 2kki n ASP 37 Ca -0.05 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 2kki n ASP 37 Cb 0.64 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.94 2kki n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kki n GLN 38 N -1.18 0.70 -4.91 -1.24 6.02 -1.26 -4.66 117.38 110.85 2kki n GLN 38 Ca 0.14 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.85 2kki n GLN 38 Cb 0.15 -0.99 -0.16 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.97 1.88 -0.05 1.08 1.51 -1.18 -4.01 117.35 114.61 2kki s TYR 39 Ca 0.00 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.53 2kki s TYR 39 Cb 0.00 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2kki s TYR 39 CO 0.00 -0.21 -0.22 -1.17 -1.11 0.00 0.00 175.55 172.84 2kki s LEU 40 N 0.10 2.01 -0.03 -1.29 2.96 -1.26 -0.93 118.68 120.24 2kki s LEU 40 Ca -0.06 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2kki s LEU 40 Cb -0.13 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.35 2kki s LEU 40 CO 0.03 0.22 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.28 2kki s THR 41 N -0.12 0.96 0.08 3.68 2.01 -0.41 -1.59 115.64 120.25 2kki s THR 41 Ca -0.03 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2kki s THR 41 Cb -0.13 -0.85 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 2kki s THR 41 CO 0.03 0.29 0.56 0.00 -0.69 0.00 0.00 174.62 174.82 2kki s ALA 42 N 0.20 3.59 -0.12 7.40 0.00 -1.26 -0.03 121.76 131.54 2kki s ALA 42 Ca -0.04 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 2kki s ALA 42 Cb -0.10 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.44 2kki s ALA 42 CO 0.01 0.41 0.31 0.00 0.00 0.00 0.00 175.76 176.49 2kki s ALA 43 N -1.16 -0.76 0.15 0.00 0.00 -0.03 -4.42 121.76 115.54 2kki s ALA 43 Ca 0.30 1.03 -0.33 0.00 0.00 0.00 0.00 51.96 52.96 2kki s ALA 43 Cb -0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 23.12 22.19 2kki s ALA 43 CO 0.19 -0.18 1.71 0.00 0.00 0.00 0.00 175.76 177.48 2kki n ALA 44 N 3.54 2.02 -1.62 0.00 0.00 -1.24 0.31 120.51 123.51 2kki n ALA 44 Ca -0.18 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.32 2kki n ALA 44 Cb 0.56 -2.48 0.02 0.00 0.00 0.00 0.00 19.45 17.56 2kki n ALA 44 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2kki s LEU 45 N 1.64 3.49 0.00 0.00 -0.00 -1.26 -4.78 118.68 117.77 2kki s LEU 45 Ca 0.79 1.91 0.00 0.00 -0.00 0.00 0.00 54.13 56.84 2kki s LEU 45 Cb -0.58 -4.54 0.00 0.00 -0.00 0.00 0.00 46.19 41.07 2kki s LEU 45 CO 0.37 -1.32 0.00 0.00 -0.00 0.00 0.00 176.35 175.40 2kki n HIS 46 N -2.07 0.00 1.10 3.48 1.44 -1.26 -4.74 115.22 113.17 2kki n HIS 46 Ca 0.10 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 2kki n HIS 46 Cb 0.52 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.81 2kki n HIS 46 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2kki n ASN 47 N 0.00 2.51 0.00 4.39 5.15 -1.26 -4.99 115.26 121.06 2kki n ASN 47 Ca 0.00 -1.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.18 2kki n ASN 47 Cb 0.00 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.86 0.00 -4.56 1.20 4.77 -1.26 -3.38 117.00 114.63 2kki n LEU 48 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 2kki n LEU 48 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2kki n LEU 48 CO 0.18 0.00 1.56 -0.62 -1.33 0.00 0.00 177.39 177.18 2kki s ASP 49 N 0.00 6.57 0.00 -1.43 -1.08 -1.26 -4.21 116.67 115.26 2kki s ASP 49 Ca 0.00 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 2kki s ASP 49 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 2kki s ASP 49 CO 0.00 -1.44 0.00 1.21 0.52 0.00 0.00 175.17 175.46 2kki n GLU 50 N 8.74 0.00 -2.04 4.34 2.13 -1.26 -5.03 120.64 127.52 2kki n GLU 50 Ca 0.36 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.88 2kki n GLU 50 Cb 0.50 -0.41 0.03 0.00 0.27 0.00 0.00 31.44 31.82 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 -1.00 3.08 0.08 4.31 0.00 -1.26 -4.85 121.76 122.12 2kki s ALA 51 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2kki s ALA 51 Cb 0.00 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 2kki s ALA 51 CO 0.00 -0.85 1.28 0.14 0.00 0.00 0.00 175.76 176.34 2kki s VAL 52 N -3.17 3.73 -0.11 0.00 -7.23 -1.11 -4.87 120.40 107.64 2kki s VAL 52 Ca 0.55 1.23 -0.14 0.00 -1.81 0.00 0.00 61.98 61.82 2kki s VAL 52 Cb -0.11 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 2kki s VAL 52 CO 0.51 0.09 0.33 -1.59 -0.31 0.00 0.00 175.10 174.12 2kki s LYS 53 N 1.16 4.08 0.41 4.82 -2.85 -1.26 -4.35 119.74 121.74 2kki s LYS 53 Ca 0.61 0.19 0.06 0.00 -1.00 0.00 0.00 55.97 55.84 2kki s LYS 53 Cb -0.32 -3.35 0.01 0.00 -2.06 0.00 0.00 37.83 32.11 2kki s LYS 53 CO 0.29 0.41 0.56 -0.06 0.10 0.00 0.00 175.35 176.66 2kki s PHE 54 N -0.09 2.94 -0.02 1.78 0.40 -1.01 0.04 117.98 122.01 2kki s PHE 54 Ca 0.19 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2kki s PHE 54 Cb -0.14 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.13 2kki s PHE 54 CO 0.07 -0.33 0.00 0.34 0.70 0.00 0.00 175.22 176.01 2kki s ASP 55 N -4.29 0.33 -0.11 1.36 2.15 0.19 -1.08 116.67 115.22 2kki s ASP 55 Ca 0.52 -0.02 -0.02 0.00 0.43 0.00 0.00 52.55 53.45 2kki s ASP 55 Cb -0.10 -0.17 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 2kki s ASP 55 CO 0.33 -0.09 -0.02 -0.04 -0.17 0.00 0.00 175.17 175.19 2kki s MET 56 N 0.86 3.23 -0.03 4.34 -1.94 0.40 -2.16 119.30 124.00 2kki s MET 56 Ca -0.08 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 2kki s MET 56 Cb -0.12 -2.83 0.03 0.00 2.01 0.00 0.00 34.83 33.92 2kki s MET 56 CO -0.02 0.53 0.02 0.20 -0.01 0.00 0.00 175.02 175.74 2kki s GLY 57 N -0.41 0.18 0.33 -0.03 0.00 -1.05 -1.78 107.32 104.56 2kki s GLY 57 Ca 0.07 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 2kki s GLY 57 CO 0.02 0.68 0.75 0.00 0.00 0.00 0.00 173.10 174.55 2kki s ALA 58 N 1.09 3.30 0.34 3.20 0.00 -0.21 0.41 121.76 129.88 2kki s ALA 58 Ca -0.09 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2kki s ALA 58 Cb -0.13 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 2kki s ALA 58 CO -0.02 0.31 -0.09 1.52 0.00 0.00 0.00 175.76 177.48 2kki s TYR 59 N -2.00 2.34 -0.13 0.00 -0.85 -0.62 -1.67 117.35 114.42 2kki s TYR 59 Ca 0.55 -0.53 -0.01 0.00 -0.52 0.00 0.00 57.07 56.56 2kki s TYR 59 Cb -0.10 -1.36 0.03 0.00 0.38 0.00 0.00 41.96 40.92 2kki s TYR 59 CO 0.17 0.54 -0.06 0.21 -1.52 0.00 0.00 175.55 174.89 2kki s LYS 60 N -3.63 1.38 0.05 -3.49 2.20 0.15 -4.43 119.74 111.97 2kki s LYS 60 Ca 0.32 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.53 2kki s LYS 60 Cb 0.03 -1.70 -0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2kki s LYS 60 CO 0.16 -0.34 0.18 -1.12 -0.36 0.00 0.00 175.35 173.86 2kki s SER 61 N 1.71 0.08 -0.45 1.43 0.01 -1.26 -2.87 113.70 112.35 2kki s SER 61 Ca 0.03 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2kki s SER 61 Cb -0.14 0.29 0.26 0.00 0.21 0.00 0.00 66.02 66.64 2kki s SER 61 CO -0.08 -0.58 2.14 -1.20 0.41 0.00 0.00 173.24 173.93 2kki n SER 62 N 0.56 6.83 -1.33 2.44 7.64 -1.26 -4.20 113.62 124.30 2kki n SER 62 Ca -0.18 -3.30 -0.02 0.00 1.01 0.00 0.00 58.87 56.37 2kki n SER 62 Cb 0.59 -1.07 0.11 0.00 -1.01 0.00 0.00 64.21 62.84 2kki n SER 62 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kki n LYS 63 N 0.07 1.81 0.00 1.43 4.01 -1.26 -5.01 118.16 119.22 2kki n LYS 63 Ca 0.42 -3.30 0.00 0.00 -0.51 0.00 0.00 58.31 54.92 2kki n LYS 63 Cb 0.58 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.61 2kki n LYS 63 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2kki n ASP 64 N -0.67 0.00 0.00 4.39 8.00 -1.26 -5.09 116.55 121.92 2kki n ASP 64 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2kki n ASP 64 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 -0.22 -2.24 2.03 -1.26 -4.94 116.55 109.93 2kki n ASP 65 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2kki n ASP 65 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 1.92 -3.36 -1.67 0.00 -1.26 -5.09 120.51 109.54 2kki n ALA 66 Ca 0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 53.44 51.84 2kki n ALA 66 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 2kki n ALA 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kki s LYS 67 N -1.06 0.88 0.19 0.00 2.20 -1.26 -5.17 119.74 115.52 2kki s LYS 67 Ca 0.10 -0.00 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2kki s LYS 67 Cb 0.09 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.78 2kki s LYS 67 CO 0.01 -0.27 0.18 0.96 -0.36 0.00 0.00 175.35 175.87 2kki s ILE 68 N -1.40 4.63 -0.12 5.43 -5.25 -1.26 -4.74 121.20 118.49 2kki s ILE 68 Ca -0.11 -1.10 -0.04 0.00 -0.99 0.00 0.00 60.65 58.41 2kki s ILE 68 Cb -0.02 -3.40 -0.03 0.00 2.95 0.00 0.00 42.46 41.95 2kki s ILE 68 CO 0.06 -0.17 0.01 -0.89 -1.79 0.00 0.00 174.94 172.16 2kki s THR 69 N -1.85 4.38 0.25 8.37 2.01 -1.25 -3.85 115.64 123.69 2kki s THR 69 Ca 0.32 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.19 2kki s THR 69 Cb -0.10 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 2kki s THR 69 CO 0.25 0.55 -0.10 0.68 -0.69 0.00 0.00 174.62 175.31 2kki s VAL 70 N -0.39 1.72 -0.19 3.82 -7.23 -0.98 -1.59 120.40 115.56 2kki s VAL 70 Ca 0.08 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.01 2kki s VAL 70 Cb -0.12 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 2kki s VAL 70 CO 0.02 -0.43 0.03 -0.63 -0.31 0.00 0.00 175.10 173.78 2kki s ILE 71 N -2.97 4.33 -0.29 -0.62 1.09 0.16 -2.63 121.20 120.27 2kki s ILE 71 Ca 0.26 -0.19 -0.07 0.00 -1.10 0.00 0.00 60.65 59.56 2kki s ILE 71 Cb 0.01 -2.96 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 2kki s ILE 71 CO 0.10 0.44 0.08 -0.22 -0.10 0.00 0.00 174.94 175.23 2kki s LEU 72 N 0.74 3.77 0.06 2.97 2.96 -1.26 -2.52 118.68 125.41 2kki s LEU 72 Ca 0.02 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 2kki s LEU 72 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2kki s LEU 72 CO 0.02 -0.16 -0.07 0.00 -1.32 0.00 0.00 176.35 174.82 2kki s ARG 73 N 1.52 0.61 -0.10 1.98 1.70 -0.92 -2.98 118.95 120.77 2kki s ARG 73 Ca 0.03 -0.95 -0.25 0.00 -0.47 0.00 0.00 55.73 54.09 2kki s ARG 73 Cb -0.17 -0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 33.98 2kki s ARG 73 CO 0.03 0.01 0.79 0.96 -1.08 0.00 0.00 175.30 176.01 2kki s ILE 74 N -2.21 4.95 0.61 4.99 -4.36 -1.22 0.56 121.20 124.52 2kki s ILE 74 Ca -0.03 1.60 0.28 0.00 -0.26 0.00 0.00 60.65 62.24 2kki s ILE 74 Cb -0.04 -4.12 0.36 0.00 1.25 0.00 0.00 42.46 39.91 2kki s ILE 74 CO -0.02 0.15 1.79 0.28 0.24 0.00 0.00 174.94 177.38 2kki h SER 75 N 7.01 0.00 0.00 4.36 0.02 -0.67 -3.23 113.55 121.04 2kki h SER 75 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2kki h SER 75 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kki h SER 75 CO 0.79 0.00 -0.08 0.11 -1.14 0.00 0.00 176.83 176.51 2kki h LYS 76 N 0.00 0.00 -5.88 3.45 1.57 -1.92 -3.47 116.57 110.32 2kki h LYS 76 Ca 0.21 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.42 2kki h LYS 76 Cb 1.35 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 2kki h LYS 76 CO -0.00 0.21 -0.47 0.95 -0.57 0.00 0.00 179.45 179.57 2kki s THR 77 N -1.76 2.19 -1.07 -0.16 -4.23 -1.22 -5.04 115.64 104.35 2kki s THR 77 Ca -0.06 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2kki s THR 77 Cb -0.00 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.29 2kki s THR 77 CO 0.16 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.73 2kki n GLN 78 N -1.32 4.50 -3.49 3.99 6.02 -1.26 -4.33 117.38 121.49 2kki n GLN 78 Ca -0.02 -4.57 -0.42 0.00 -0.01 0.00 0.00 57.00 51.98 2kki n GLN 78 Cb 0.64 -2.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.30 2kki n GLN 78 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2kki s LEU 79 N -2.88 4.90 0.09 1.08 1.02 -1.26 -3.48 118.68 118.15 2kki s LEU 79 Ca 0.32 -0.74 0.04 0.00 0.02 0.00 0.00 54.13 53.77 2kki s LEU 79 Cb 0.06 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 2kki s LEU 79 CO 0.10 -0.38 0.01 -0.31 0.02 0.00 0.00 176.35 175.79 2kki s TYR 80 N 1.69 3.03 -0.23 0.29 1.51 0.11 -3.37 117.35 120.37 2kki s TYR 80 Ca 0.05 -0.01 -0.27 0.00 -1.01 0.00 0.00 57.07 55.83 2kki s TYR 80 Cb -0.18 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 2kki s TYR 80 CO 0.10 0.49 0.97 0.08 -1.11 0.00 0.00 175.55 176.07 2kki s VAL 81 N -1.32 4.74 -0.00 0.71 1.01 -1.16 -0.48 120.40 123.89 2kki s VAL 81 Ca 0.26 1.87 -0.07 0.00 0.00 0.00 0.00 61.98 64.04 2kki s VAL 81 Cb -0.12 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2kki s VAL 81 CO 0.19 -0.14 0.27 0.28 0.00 0.00 0.00 175.10 175.69 2kki s THR 82 N 3.06 5.30 -0.27 3.92 -1.32 -0.58 -2.68 115.64 123.07 2kki s THR 82 Ca 0.41 0.20 -0.10 0.00 -1.21 0.00 0.00 61.69 60.99 2kki s THR 82 Cb -0.15 -3.56 -0.05 0.00 -1.51 0.00 0.00 72.50 67.23 2kki s THR 82 CO 0.07 0.39 0.17 0.00 -2.21 0.00 0.00 174.62 173.04 2kki s ALA 83 N -1.27 3.48 0.00 11.08 0.00 -1.09 -3.11 121.76 130.85 2kki s ALA 83 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2kki s ALA 83 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2kki s ALA 83 CO 0.15 -0.52 0.00 0.94 0.00 0.00 0.00 175.76 176.33 2kki n GLN 84 N 5.00 0.00 -3.47 0.00 7.27 -1.26 -4.94 117.38 119.99 2kki n GLN 84 Ca -0.14 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.77 2kki n GLN 84 Cb 0.52 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.05 2kki n GLN 84 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2kki s ASP 85 N -1.00 1.03 0.72 1.69 2.15 -1.26 -4.86 116.67 115.13 2kki s ASP 85 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2kki s ASP 85 Cb 0.00 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 2kki s ASP 85 CO 0.00 -0.31 0.00 1.21 -0.17 0.00 0.00 175.17 175.90 2kki n GLU 86 N 5.33 0.00 -2.09 4.34 4.07 -1.11 -3.45 120.64 127.73 2kki n GLU 86 Ca -0.05 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.67 2kki n GLU 86 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 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 0.25 3.80 -3.69 4.31 2.03 -0.93 -2.83 116.55 119.49 2kki n ASP 87 Ca 0.00 -2.80 -0.11 0.00 0.52 0.00 0.00 54.79 52.40 2kki n ASP 87 Cb 0.00 -1.65 -0.12 0.00 -0.72 0.00 0.00 41.12 38.64 2kki n ASP 87 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kki s GLN 88 N 5.02 0.29 0.58 -0.67 -1.52 -1.22 -4.90 119.66 117.23 2kki s GLN 88 Ca 0.59 0.77 -0.21 0.00 -1.95 0.00 0.00 55.36 54.56 2kki s GLN 88 Cb 0.05 0.02 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 2kki s GLN 88 CO 0.08 -0.20 1.35 -2.30 -0.25 0.00 0.00 175.29 173.98 2kki n PRO 89 N 4.67 1.55 -1.86 2.91 -0.02 -1.26 -3.53 135.00 137.46 2kki n PRO 89 Ca -0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 2kki n PRO 89 Cb 0.53 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2kki n PRO 89 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2kki s VAL 90 N -1.31 2.48 0.01 -1.45 -7.23 -0.69 -4.68 120.40 107.53 2kki s VAL 90 Ca 0.75 0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 61.17 2kki s VAL 90 Cb -0.40 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 2kki s VAL 90 CO 0.47 0.02 0.24 -0.76 -0.31 0.00 0.00 175.10 174.76 2kki s LEU 91 N 1.39 4.36 -0.60 1.32 1.43 -1.18 -4.86 118.68 120.53 2kki s LEU 91 Ca 0.72 0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.11 2kki s LEU 91 Cb -0.45 -2.69 0.09 0.00 0.03 0.00 0.00 46.19 43.17 2kki s LEU 91 CO 0.32 0.24 0.78 -0.76 0.23 0.00 0.00 176.35 177.16 2kki s LEU 92 N -1.88 5.03 -0.31 1.79 1.43 -1.26 -1.53 118.68 121.96 2kki s LEU 92 Ca 0.28 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2kki s LEU 92 Cb -0.13 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2kki s LEU 92 CO 0.17 -1.20 0.54 -0.75 0.23 0.00 0.00 176.35 175.34 2kki s LYS 93 N 3.12 3.84 -0.75 1.70 2.47 0.36 -4.80 119.74 125.69 2kki s LYS 93 Ca 0.15 0.11 -0.18 0.00 -1.56 0.00 0.00 55.97 54.49 2kki s LYS 93 Cb -0.21 -3.73 0.13 0.00 -1.46 0.00 0.00 37.83 32.55 2kki s LYS 93 CO 0.08 -0.52 0.87 -1.83 0.16 0.00 0.00 175.35 174.11 2kki s GLU 94 N 2.42 3.33 -0.25 4.03 -1.05 -1.26 0.09 118.70 126.00 2kki s GLU 94 Ca 0.21 -1.64 -0.00 0.00 -0.15 0.00 0.00 54.97 53.38 2kki s GLU 94 Cb -0.15 -4.50 0.04 0.00 -0.44 0.00 0.00 34.13 29.08 2kki s GLU 94 CO 0.12 -1.59 -0.08 -1.64 0.95 0.00 0.00 175.26 173.02 2kki s MET 95 N 2.30 2.68 -0.19 -4.83 -1.94 -1.23 -4.96 119.30 111.14 2kki s MET 95 Ca 0.20 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 52.81 2kki s MET 95 Cb -0.15 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.74 2kki s MET 95 CO -0.01 -0.44 1.07 -1.25 -0.01 0.00 0.00 175.02 174.38 2kki s PRO 96 N 1.27 4.29 0.51 2.03 0.05 -1.26 -4.71 135.00 137.19 2kki s PRO 96 Ca -0.02 1.42 0.00 0.00 0.05 0.00 0.00 61.00 62.46 2kki s PRO 96 Cb -0.17 -3.63 0.00 0.00 0.05 0.00 0.00 34.50 30.74 2kki s PRO 96 CO -0.05 -0.57 0.00 0.39 0.05 0.00 0.00 177.00 176.82 2kki n GLU 97 N 6.03 -4.10 -2.22 4.56 1.02 -1.26 -4.80 120.64 119.88 2kki n GLU 97 Ca 0.12 3.10 -0.43 0.00 -0.02 0.00 0.00 57.16 59.93 2kki n GLU 97 Cb 0.46 -3.63 -0.02 0.00 -0.02 0.00 0.00 31.44 28.23 2kki n GLU 97 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2kki s ILE 98 N -4.12 3.92 0.66 -3.67 2.07 -1.26 -5.00 121.20 113.79 2kki s ILE 98 Ca 0.00 1.12 -0.15 0.00 -1.41 0.00 0.00 60.65 60.21 2kki s ILE 98 Cb 0.00 -3.73 -0.00 0.00 0.13 0.00 0.00 42.46 38.86 2kki s ILE 98 CO 0.00 -0.09 1.11 -2.84 -1.91 0.00 0.00 174.94 171.21 2kki s PRO 99 N 3.67 2.81 0.06 3.50 0.02 -1.26 -4.96 135.00 138.84 2kki s PRO 99 Ca 0.64 1.40 0.22 0.00 0.02 0.00 0.00 61.00 63.28 2kki s PRO 99 Cb -0.28 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 32.15 2kki s PRO 99 CO 0.22 -1.24 0.80 0.36 -0.33 0.00 0.00 177.00 176.81 2kki n LYS 100 N -2.39 0.54 -3.73 5.54 -0.00 -1.26 -4.14 118.16 112.71 2kki n LYS 100 Ca 0.10 -0.04 -0.26 0.00 -0.00 0.00 0.00 58.31 58.11 2kki n LYS 100 Cb 0.52 -1.64 -0.17 0.00 -0.00 0.00 0.00 35.03 33.75 2kki n LYS 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2kki s THR 101 N -3.38 0.43 -0.21 0.58 2.01 -1.26 -1.53 115.64 112.29 2kki s THR 101 Ca -0.02 -0.34 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2kki s THR 101 Cb 0.13 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 2kki s THR 101 CO 0.85 -0.09 0.13 -0.63 -0.69 0.00 0.00 174.62 174.18 2kki s ILE 102 N 1.91 5.26 -0.06 1.82 1.01 0.22 -4.83 121.20 126.54 2kki s ILE 102 Ca 0.01 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.84 2kki s ILE 102 Cb -0.16 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2kki s ILE 102 CO -0.07 0.41 -0.17 0.28 0.00 0.00 0.00 174.94 175.39 2kki s THR 103 N 0.60 1.47 0.00 2.92 -1.32 -1.26 -0.35 115.64 117.71 2kki s THR 103 Ca 0.07 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2kki s THR 103 Cb -0.12 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.58 2kki s THR 103 CO 0.00 0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 2kki n GLY 104 N 3.41 0.00 0.30 6.08 0.00 -1.26 -3.39 105.19 110.32 2kki n GLY 104 Ca -0.20 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.02 2kki n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kki h SER 105 N 0.00 0.00 -0.00 1.61 4.64 -2.01 -2.05 113.55 115.74 2kki h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kki h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kki h SER 105 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2kki n GLU 106 N -2.99 1.02 0.00 4.77 -0.58 -1.22 -3.74 120.64 117.90 2kki n GLU 106 Ca -0.01 -0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2kki n GLU 106 Cb 0.16 -1.27 0.34 0.00 -0.57 0.00 0.00 31.44 30.10 2kki n GLU 106 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2kki n THR 107 N -0.74 0.92 0.10 2.62 5.66 -0.77 -1.62 114.28 120.45 2kki n THR 107 Ca 0.13 0.23 -0.02 0.00 -3.05 0.00 0.00 64.05 61.34 2kki n THR 107 Cb 0.07 -0.96 0.24 0.00 -1.55 0.00 0.00 70.33 68.12 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 0.24 -0.56 1.09 2.35 -1.84 -3.25 115.58 113.61 2kki h ASN 108 Ca 0.00 -0.10 -0.36 0.00 -0.55 0.00 0.00 56.30 55.29 2kki h ASN 108 Cb 0.27 -0.07 -0.17 0.00 0.05 0.00 0.00 38.32 38.41 2kki h ASN 108 CO 0.00 0.62 0.46 -0.11 -1.65 0.00 0.00 177.43 176.75 2kki n LEU 109 N -4.04 6.28 -4.88 1.61 7.94 -0.64 -2.68 117.00 120.60 2kki n LEU 109 Ca -0.01 -3.27 -0.37 0.00 -1.11 0.00 0.00 56.01 51.25 2kki n LEU 109 Cb 0.47 -0.96 -0.06 0.00 0.53 0.00 0.00 43.42 43.40 2kki n LEU 109 CO 0.41 1.15 -0.17 -0.76 -1.11 0.00 0.00 177.39 176.92 2kki s LEU 110 N -2.08 4.39 -0.03 -1.96 1.43 -1.23 -4.43 118.68 114.77 2kki s LEU 110 Ca 0.35 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2kki s LEU 110 Cb 0.28 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2kki s LEU 110 CO 0.01 0.41 0.04 -0.36 0.23 0.00 0.00 176.35 176.67 2kki s PHE 111 N -1.02 0.11 -0.57 0.29 0.08 -1.08 -3.20 117.98 112.60 2kki s PHE 111 Ca 0.15 0.15 -0.26 0.00 0.12 0.00 0.00 56.93 57.09 2kki s PHE 111 Cb -0.12 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.98 2kki s PHE 111 CO 0.04 -0.14 1.06 -0.06 -0.10 0.00 0.00 175.22 176.01 2kki s PHE 112 N 1.52 2.69 -0.57 0.36 0.08 0.51 -2.33 117.98 120.25 2kki s PHE 112 Ca -0.03 0.14 -0.20 0.00 0.12 0.00 0.00 56.93 56.95 2kki s PHE 112 Cb -0.13 -4.28 0.07 0.00 -0.57 0.00 0.00 43.02 38.11 2kki s PHE 112 CO -0.03 -1.49 0.76 -0.46 -0.10 0.00 0.00 175.22 173.90 2kki s TRP 113 N 4.44 2.93 -0.40 0.36 -0.00 -1.25 -1.90 118.94 123.11 2kki s TRP 113 Ca 0.35 -0.60 -0.07 0.00 -0.00 0.00 0.00 56.10 55.79 2kki s TRP 113 Cb -0.10 -3.90 0.08 0.00 -0.00 0.00 0.00 33.47 29.55 2kki s TRP 113 CO 0.21 -1.27 0.21 -1.21 -0.00 0.00 0.00 176.95 174.89 2kki s GLU 114 N 3.10 2.44 -0.22 5.86 2.02 -0.96 -4.94 118.70 126.01 2kki s GLU 114 Ca 0.17 -1.52 -0.11 0.00 0.02 0.00 0.00 54.97 53.53 2kki s GLU 114 Cb -0.19 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.34 2kki s GLU 114 CO 0.11 -0.93 0.20 -0.08 0.02 0.00 0.00 175.26 174.57 2kki s THR 115 N 1.33 5.35 -0.35 3.63 -1.32 -1.26 -0.93 115.64 122.08 2kki s THR 115 Ca 0.03 0.29 0.01 0.00 -1.21 0.00 0.00 61.69 60.81 2kki s THR 115 Cb -0.22 -3.54 0.11 0.00 -1.51 0.00 0.00 72.50 67.34 2kki s THR 115 CO 0.00 0.36 0.13 -1.00 -2.21 0.00 0.00 174.62 171.91 2kki s HIS 116 N 0.83 2.03 0.00 9.09 3.76 0.00 -4.99 115.29 126.01 2kki s HIS 116 Ca 0.10 -2.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.93 2kki s HIS 116 Cb -0.13 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.65 2kki s HIS 116 CO 0.03 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.47 2kki n GLY 117 N 4.40 1.45 0.12 -2.22 0.00 -1.26 -2.56 105.19 105.11 2kki n GLY 117 Ca 0.02 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 1.25 -1.71 2.61 -2.24 -1.26 -5.00 114.28 107.93 2kki n THR 118 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 2kki n THR 118 Cb 0.00 -1.30 0.05 0.00 -2.10 0.00 0.00 70.33 66.98 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 -2.43 2.77 -0.10 -0.78 -2.85 -1.06 -4.00 119.74 111.29 2kki s LYS 119 Ca -0.29 0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 55.06 2kki s LYS 119 Cb 0.08 -1.99 0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2kki s LYS 119 CO 0.49 -1.14 0.71 1.21 0.10 0.00 0.00 175.35 176.72 2kki s ASN 120 N -4.06 -0.66 0.25 0.03 3.84 0.15 -0.82 114.94 113.68 2kki s ASN 120 Ca 0.58 0.84 0.09 0.00 0.21 0.00 0.00 52.86 54.58 2kki s ASN 120 Cb -0.13 0.70 -0.04 0.00 -0.55 0.00 0.00 41.25 41.23 2kki s ASN 120 CO 0.54 -0.53 -0.02 -0.31 -2.79 0.00 0.00 177.10 173.99 2kki s TYR 121 N -0.89 2.70 -0.31 0.43 1.51 -0.11 -0.33 117.35 120.35 2kki s TYR 121 Ca -0.08 -0.22 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2kki s TYR 121 Cb -0.01 -1.22 0.10 0.00 -0.11 0.00 0.00 41.96 40.72 2kki s TYR 121 CO 0.08 0.60 0.09 -0.06 -1.11 0.00 0.00 175.55 175.15 2kki s PHE 122 N -2.20 2.00 0.07 2.71 0.08 -1.25 -2.26 117.98 117.13 2kki s PHE 122 Ca 0.30 -1.90 -0.18 0.00 0.12 0.00 0.00 56.93 55.27 2kki s PHE 122 Cb -0.07 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.44 2kki s PHE 122 CO 0.19 -0.88 0.54 0.99 -0.10 0.00 0.00 175.22 175.96 2kki s THR 123 N 1.52 4.79 -0.01 0.64 2.01 -0.80 -0.84 115.64 122.94 2kki s THR 123 Ca 0.10 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 2kki s THR 123 Cb -0.17 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2kki s THR 123 CO -0.22 0.54 1.38 -0.44 -0.69 0.00 0.00 174.62 175.18 2kki s SER 124 N -1.15 6.87 0.44 3.53 0.01 -0.33 0.19 113.70 123.27 2kki s SER 124 Ca 0.29 2.07 0.24 0.00 1.31 0.00 0.00 55.95 59.86 2kki s SER 124 Cb -0.19 -2.56 0.92 0.00 0.21 0.00 0.00 66.02 64.40 2kki s SER 124 CO 0.18 -0.71 1.83 1.62 0.41 0.00 0.00 173.24 176.57 2kki h VAL 125 N 4.96 0.54 -0.12 3.43 3.04 -1.85 -1.99 116.25 124.26 2kki h VAL 125 Ca -0.37 -1.11 -0.14 0.00 -1.01 0.00 0.00 66.70 64.07 2kki h VAL 125 Cb 1.17 1.77 0.01 0.00 -2.01 0.00 0.00 31.29 32.22 2kki h VAL 125 CO 0.90 0.21 -0.46 0.00 -1.01 0.00 0.00 177.57 177.22 2kki h ALA 126 N 1.78 0.21 -2.64 3.17 0.00 -1.85 -3.44 119.26 116.49 2kki h ALA 126 Ca -0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 54.91 54.15 2kki h ALA 126 Cb 0.75 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.18 2kki h ALA 126 CO 0.03 0.36 -0.59 -1.01 0.00 0.00 0.00 179.25 178.04 2kki s HIS 127 N -3.75 -0.35 0.38 0.00 3.76 -0.79 -5.03 115.29 109.51 2kki s HIS 127 Ca -0.13 0.54 0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2kki s HIS 127 Cb 0.06 -0.22 0.80 0.00 1.11 0.00 0.00 32.58 34.33 2kki s HIS 127 CO 0.82 -0.50 1.98 -1.00 -0.85 0.00 0.00 174.74 175.19 2kki h PRO 128 N 8.30 0.65 0.00 8.40 0.13 -1.77 -1.12 132.00 146.60 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 0.22 0.43 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 2kki n ASN 129 N -4.47 0.00 -4.76 1.44 4.13 -1.26 -3.97 115.26 106.37 2kki n ASN 129 Ca 0.09 0.29 -0.36 0.00 1.68 0.00 0.00 54.58 56.27 2kki n ASN 129 Cb 0.21 -0.36 -0.07 0.00 -1.54 0.00 0.00 39.78 38.02 2kki n ASN 129 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kki s LEU 130 N -2.72 4.27 -0.14 3.41 1.02 -0.42 -1.42 118.68 122.67 2kki s LEU 130 Ca 0.06 0.45 -0.14 0.00 0.02 0.00 0.00 54.13 54.52 2kki s LEU 130 Cb 0.05 -2.26 0.04 0.00 0.02 0.00 0.00 46.19 44.04 2kki s LEU 130 CO 0.13 0.18 0.39 0.12 0.02 0.00 0.00 176.35 177.19 2kki s PHE 131 N 0.13 -0.42 -0.65 0.29 2.19 -0.25 -1.19 117.98 118.09 2kki s PHE 131 Ca 0.14 1.01 -0.22 0.00 0.33 0.00 0.00 56.93 58.18 2kki s PHE 131 Cb -0.12 0.15 0.07 0.00 -1.31 0.00 0.00 43.02 41.80 2kki s PHE 131 CO 0.03 -0.22 0.95 0.42 1.83 0.00 0.00 175.22 178.22 2kki s ILE 132 N 0.11 4.36 0.23 3.12 -1.09 -0.02 -2.87 121.20 125.03 2kki s ILE 132 Ca -0.01 -0.38 -0.02 0.00 -2.23 0.00 0.00 60.65 58.01 2kki s ILE 132 Cb -0.03 -4.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.14 2kki s ILE 132 CO 0.01 -1.43 0.44 0.00 -1.23 0.00 0.00 174.94 172.73 2kki s ALA 133 N 3.97 3.77 -0.06 9.38 0.00 -0.67 -4.24 121.76 133.89 2kki s ALA 133 Ca 0.22 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2kki s ALA 133 Cb -0.17 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.87 2kki s ALA 133 CO 0.10 0.38 -0.12 0.99 0.00 0.00 0.00 175.76 177.11 2kki s THR 134 N -1.93 1.12 0.14 0.00 2.01 0.36 -3.87 115.64 113.48 2kki s THR 134 Ca 0.40 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2kki s THR 134 Cb -0.11 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2kki s THR 134 CO 0.29 0.35 -0.00 -0.54 -0.69 0.00 0.00 174.62 174.03 2kki s LYS 135 N 0.64 2.45 0.26 4.92 1.02 -1.26 -2.26 119.74 125.51 2kki s LYS 135 Ca -0.14 -1.00 0.12 0.00 0.02 0.00 0.00 55.97 54.96 2kki s LYS 135 Cb -0.16 -2.43 0.28 0.00 -0.52 0.00 0.00 37.83 35.01 2kki s LYS 135 CO 0.04 0.49 1.55 1.96 -0.92 0.00 0.00 175.35 178.46 2kki h GLN 136 N 2.98 0.00 0.00 1.68 4.20 -1.95 -3.38 115.11 118.64 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 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2kki h GLN 136 CO 0.58 0.65 -0.57 -0.25 -0.67 0.00 0.00 178.83 178.56 2kki n ASP 137 N -3.61 2.62 -4.53 1.46 8.00 -1.26 -4.67 116.55 114.55 2kki n ASP 137 Ca -0.01 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2kki n ASP 137 Cb 0.67 0.16 0.08 0.00 -0.02 0.00 0.00 41.12 42.01 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 -1.67 -2.58 -1.36 1.24 4.01 -1.26 -4.83 117.16 110.71 2kki n TYR 138 Ca 0.00 -1.80 -0.31 0.00 -0.16 0.00 0.00 57.90 55.63 2kki n TYR 138 Cb 0.29 -0.56 0.09 0.00 -0.31 0.00 0.00 39.34 38.85 2kki n TYR 138 CO 0.00 0.00 0.00 1.67 -0.46 0.00 0.00 176.86 178.07 2kki s TRP 139 N -2.44 2.71 -0.41 -0.72 -2.14 -1.26 -3.98 118.94 110.70 2kki s TRP 139 Ca 0.57 1.45 -0.28 0.00 2.66 0.00 0.00 56.10 60.49 2kki s TRP 139 Cb -0.04 -3.02 -0.01 0.00 -3.10 0.00 0.00 33.47 27.29 2kki s TRP 139 CO 0.37 -1.72 1.72 0.54 -2.66 0.00 0.00 176.95 175.20 2kki s VAL 140 N -2.97 3.54 0.00 -0.66 0.11 -0.62 -4.49 120.40 115.31 2kki s VAL 140 Ca 0.61 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 60.17 2kki s VAL 140 Cb -0.16 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2kki s VAL 140 CO 0.56 -0.61 0.00 0.00 -3.33 0.00 0.00 175.10 171.72 2kki s LEU 142 N 0.00 2.49 0.15 0.00 2.96 -1.23 -1.68 118.68 121.38 2kki s LEU 142 Ca 0.00 -1.00 -0.24 0.00 -0.22 0.00 0.00 54.13 52.67 2kki s LEU 142 Cb 0.00 0.15 0.06 0.00 0.50 0.00 0.00 46.19 46.90 2kki s LEU 142 CO 0.00 -0.58 0.82 0.00 -1.32 0.00 0.00 176.35 175.28 2kki s ALA 143 N -3.86 -1.58 -0.30 5.97 0.00 -1.13 -2.20 121.76 118.67 2kki s ALA 143 Ca 0.08 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2kki s ALA 143 Cb 0.07 0.69 0.43 0.00 0.00 0.00 0.00 23.12 24.31 2kki s ALA 143 CO -0.09 -0.92 1.56 0.41 0.00 0.00 0.00 175.76 176.72 2kki n GLY 144 N -0.40 3.51 0.00 0.00 0.00 -0.51 -1.09 105.19 106.70 2kki n GLY 144 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.49 1.07 3.36 -0.02 0.00 -1.26 -4.66 105.19 103.18 2kki n GLY 145 Ca 0.37 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.35 3.32 0.00 1.61 0.04 -1.26 -4.76 135.00 133.60 2kki s PRO 146 Ca 0.00 -0.71 0.07 0.00 0.04 0.00 0.00 61.00 60.40 2kki s PRO 146 Cb 0.00 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 2kki s PRO 146 CO 0.00 0.22 0.39 -0.35 0.04 0.00 0.00 177.00 177.31 2kki n PRO 147 N 3.49 3.72 -3.12 0.56 -0.04 -1.26 -4.98 135.00 133.37 2kki n PRO 147 Ca -0.18 -0.20 -0.36 0.00 -0.04 0.00 0.00 63.50 62.72 2kki n PRO 147 Cb 0.53 -0.90 -0.06 0.00 -0.04 0.00 0.00 33.50 33.03 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 -1.46 7.03 -0.85 3.54 0.01 -1.26 -5.01 113.70 115.69 2kki s SER 148 Ca 0.04 1.38 -0.25 0.00 1.31 0.00 0.00 55.95 58.44 2kki s SER 148 Cb 0.06 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.92 2kki s SER 148 CO 0.25 0.03 1.32 -0.63 0.41 0.00 0.00 173.24 174.62 2kki s ILE 149 N -1.53 3.88 -0.27 1.44 -1.09 -0.96 -4.74 121.20 117.93 2kki s ILE 149 Ca 0.43 -0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2kki s ILE 149 Cb -0.16 -4.95 0.22 0.00 -1.58 0.00 0.00 42.46 35.99 2kki s ILE 149 CO 0.21 -1.85 1.86 0.35 -1.23 0.00 0.00 174.94 174.27 2kki n THR 150 N 6.50 2.52 -3.67 2.92 -2.24 -1.26 0.14 114.28 119.19 2kki n THR 150 Ca 0.15 -1.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.22 2kki n THR 150 Cb 0.50 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 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 0.24 6.55 0.19 3.42 1.11 -1.26 -4.14 116.67 122.78 2kki s ASP 151 Ca 0.28 0.65 0.00 0.00 0.18 0.00 0.00 52.55 53.66 2kki s ASP 151 Cb 0.22 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 42.04 2kki s ASP 151 CO 0.01 0.18 0.08 0.12 1.18 0.00 0.00 175.17 176.73 2kki s PHE 152 N -1.41 1.19 -0.20 4.23 2.19 0.55 -3.74 117.98 120.78 2kki s PHE 152 Ca 0.33 -1.22 -0.27 0.00 0.33 0.00 0.00 56.93 56.10 2kki s PHE 152 Cb -0.13 -0.65 0.09 0.00 -1.31 0.00 0.00 43.02 41.02 2kki s PHE 152 CO 0.19 -0.44 0.84 1.14 1.83 0.00 0.00 175.22 178.77 2kki s GLN 153 N -4.05 0.76 -0.29 10.12 -2.07 0.34 0.34 119.66 124.82 2kki s GLN 153 Ca 0.32 0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 54.26 2kki s GLN 153 Cb 0.07 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.34 2kki s GLN 153 CO 0.08 -0.16 0.51 0.96 -1.32 0.00 0.00 175.29 175.36 2kki s ILE 154 N -0.26 5.06 -0.28 3.63 -4.36 -1.26 -2.33 121.20 121.40 2kki s ILE 154 Ca -0.02 0.71 -0.09 0.00 -0.26 0.00 0.00 60.65 61.00 2kki s ILE 154 Cb -0.03 -3.86 -0.02 0.00 1.25 0.00 0.00 42.46 39.80 2kki s ILE 154 CO 0.01 0.00 0.12 -0.76 0.24 0.00 0.00 174.94 174.55 2kki s LEU 155 N 2.33 3.79 0.42 0.37 1.43 -0.30 -4.91 118.68 121.82 2kki s LEU 155 Ca 0.20 -0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2kki s LEU 155 Cb -0.16 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2kki s LEU 155 CO 0.10 -0.11 0.76 -0.70 0.23 0.00 0.00 176.35 176.64 2kki s GLU 156 N 1.62 3.69 0.45 1.70 2.12 -1.26 -1.15 118.70 125.86 2kki s GLU 156 Ca 0.06 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 2kki s GLU 156 Cb -0.16 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.77 2kki s GLU 156 CO 0.05 -0.08 0.83 1.21 -0.54 0.00 0.00 175.26 176.74 2kki s ASN 157 N -3.49 6.51 -0.07 -1.70 2.47 -1.26 -4.44 114.94 112.96 2kki s ASN 157 Ca 0.49 1.23 -0.15 0.00 0.42 0.00 0.00 52.86 54.86 2kki s ASN 157 Cb -0.10 -2.37 -0.11 0.00 -1.45 0.00 0.00 41.25 37.22 2kki s ASN 157 CO 0.36 -0.48 0.57 -0.61 -3.72 0.00 0.00 177.10 173.22 2kki h GLN 158 N 1.02 -0.20 0.00 0.43 4.15 -1.95 -3.48 115.11 115.09 2kki h GLN 158 Ca -0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2kki h GLN 158 Cb 1.19 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.92 2kki h GLN 158 CO 0.63 0.11 0.00 0.00 -1.93 0.00 0.00 178.83 177.64