#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni s PHE 12 N 0.00 3.25 0.34 5.58 -0.12 -1.26 -4.97 117.98 120.80 3kni s PHE 12 Ca 0.00 -0.80 0.11 0.00 -0.05 0.00 0.00 56.93 56.19 3kni s PHE 12 Cb 0.00 -2.78 0.91 0.00 -0.63 0.00 0.00 43.02 40.53 3kni s PHE 12 CO 0.00 -0.68 1.75 0.00 -0.05 0.00 0.00 175.22 176.24 3kni h ARG 13 N 8.63 0.55 0.00 1.99 -0.00 -2.07 -3.46 114.38 120.03 3kni h ARG 13 Ca -0.27 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 3kni h ARG 13 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.96 3kni h ARG 13 CO 0.77 0.37 0.00 0.28 0.00 0.00 0.00 179.97 181.39 3kni n VAL 14 N -4.79 0.00 -3.99 2.04 0.31 -1.26 -4.78 118.33 105.85 3kni n VAL 14 Ca 0.26 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.27 3kni n VAL 14 Cb 0.74 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.63 3kni n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kni n ARG 15 N 3.92 -2.22 -0.11 5.55 5.12 -1.26 -4.74 116.66 122.92 3kni n ARG 15 Ca 0.00 0.25 -0.13 0.00 -1.93 0.00 0.00 57.85 56.04 3kni n ARG 15 Cb 0.00 -4.90 -0.03 0.00 -1.16 0.00 0.00 32.46 26.37 3kni n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3kni h ASN 16 N -0.97 0.90 -4.22 0.55 4.21 -1.87 -3.34 115.58 110.83 3kni h ASN 16 Ca -0.49 -0.46 -0.47 0.00 1.21 0.00 0.00 56.30 56.08 3kni h ASN 16 Cb 1.32 -0.25 0.13 0.00 -1.12 0.00 0.00 38.32 38.40 3kni h ASN 16 CO 0.69 1.18 0.30 0.00 -1.29 0.00 0.00 177.43 178.30 3kni s ARG 17 N -4.40 1.40 0.00 0.81 1.70 -1.26 -2.40 118.95 114.80 3kni s ARG 17 Ca -0.12 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 3kni s ARG 17 Cb 0.10 -1.86 0.00 0.00 -0.57 0.00 0.00 34.95 32.63 3kni s ARG 17 CO 0.86 -2.05 0.00 1.51 -1.08 0.00 0.00 175.30 174.53 3kni n ILE 18 N -3.70 0.00 -1.49 4.99 0.00 -1.26 -4.64 119.36 113.25 3kni n ILE 18 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 62.75 62.50 3kni n ILE 18 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 39.64 40.24 3kni n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3kni n LYS 19 N 0.00 2.49 -4.70 9.51 4.81 -1.01 -4.93 118.16 124.33 3kni n LYS 19 Ca 0.00 -2.84 -0.33 0.00 -0.87 0.00 0.00 58.31 54.27 3kni n LYS 19 Cb 0.00 -2.14 -0.16 0.00 0.02 0.00 0.00 35.03 32.75 3kni n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3kni s ARG 20 N -3.04 3.05 -0.38 1.64 1.81 -1.26 -4.98 118.95 115.80 3kni s ARG 20 Ca 0.54 -0.84 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 3kni s ARG 20 Cb 0.41 -2.45 0.30 0.00 -0.45 0.00 0.00 34.95 32.76 3kni s ARG 20 CO -0.20 0.01 1.22 2.41 -0.68 0.00 0.00 175.30 178.06 3kni n THR 21 N 4.01 0.00 -1.93 0.02 -1.04 -1.26 -4.89 114.28 109.19 3kni n THR 21 Ca -0.20 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 60.88 3kni n THR 21 Cb 0.52 1.22 0.00 0.00 -1.82 0.00 0.00 70.33 70.24 3kni n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kni n GLY 22 N 0.97 0.52 0.54 3.41 0.00 -1.26 -5.14 105.19 104.23 3kni n GLY 22 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3kni n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kni n ARG 23 N 0.00 -0.12 -2.85 1.61 1.74 -1.26 -4.75 116.66 111.03 3kni n ARG 23 Ca 0.00 0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 57.15 3kni n ARG 23 Cb 0.58 -0.62 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 3kni n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kni n LEU 24 N -2.25 -5.66 -4.76 0.55 4.77 -1.26 -4.21 117.00 104.17 3kni n LEU 24 Ca -0.00 1.49 -0.40 0.00 -0.03 0.00 0.00 56.01 57.08 3kni n LEU 24 Cb 0.42 -2.53 -0.06 0.00 -2.33 0.00 0.00 43.42 38.93 3kni n LEU 24 CO 0.00 -3.19 0.56 -0.13 -1.33 0.00 0.00 177.39 173.30 3kni s ARG 25 N -0.67 4.69 -0.71 3.23 0.52 0.24 -1.72 118.95 124.52 3kni s ARG 25 Ca -0.11 1.30 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 3kni s ARG 25 Cb 0.01 -3.28 0.28 0.00 0.52 0.00 0.00 34.95 32.48 3kni s ARG 25 CO 0.44 0.53 0.94 -0.11 0.02 0.00 0.00 175.30 177.12 3kni n LEU 26 N 1.62 4.45 -4.77 2.53 0.00 0.34 0.72 117.00 121.89 3kni n LEU 26 Ca -0.04 -5.45 -0.36 0.00 0.00 0.00 0.00 56.01 50.16 3kni n LEU 26 Cb 0.48 -0.76 0.01 0.00 0.00 0.00 0.00 43.42 43.15 3kni n LEU 26 CO 0.48 2.05 0.81 -0.55 0.00 0.00 0.00 177.39 180.19 3kni s SER 27 N -2.50 5.62 0.03 1.96 0.15 -0.04 -3.59 113.70 115.33 3kni s SER 27 Ca 0.40 2.28 -0.00 0.00 0.70 0.00 0.00 55.95 59.33 3kni s SER 27 Cb 0.16 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3kni s SER 27 CO -0.02 -1.29 -0.03 -0.69 1.20 0.00 0.00 173.24 172.41 3kni s VAL 28 N -1.67 0.14 -0.06 4.45 1.01 -1.26 -1.85 120.40 121.15 3kni s VAL 28 Ca 0.73 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3kni s VAL 28 Cb -0.27 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3kni s VAL 28 CO 0.30 -0.58 -0.07 0.12 0.00 0.00 0.00 175.10 174.87 3kni s PHE 29 N -1.87 1.10 -0.33 5.22 5.99 -0.00 -4.31 117.98 123.78 3kni s PHE 29 Ca -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 56.93 56.38 3kni s PHE 29 Cb -0.07 -0.90 0.05 0.00 0.00 0.00 0.00 43.02 42.11 3kni s PHE 29 CO -0.02 -0.27 0.07 0.50 -0.00 0.00 0.00 175.22 175.49 3kni s ARG 30 N 0.99 2.44 0.30 10.12 6.06 -1.26 -1.64 118.95 135.96 3kni s ARG 30 Ca -0.09 -1.31 0.06 0.00 -2.50 0.00 0.00 55.73 51.89 3kni s ARG 30 Cb -0.15 -3.34 -0.02 0.00 0.06 0.00 0.00 34.95 31.51 3kni s ARG 30 CO 0.00 -0.70 0.42 0.45 -2.50 0.00 0.00 175.30 172.98 3kni s SER 31 N 1.40 6.05 0.37 -2.12 0.15 0.45 -4.97 113.70 115.03 3kni s SER 31 Ca -0.02 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.56 3kni s SER 31 Cb -0.20 -1.42 0.75 0.00 -1.71 0.00 0.00 66.02 63.44 3kni s SER 31 CO -0.00 -0.31 2.00 -0.07 1.20 0.00 0.00 173.24 176.06 3kni h LEU 32 N 1.00 0.62 -3.10 3.45 3.38 -2.06 -2.84 115.31 115.76 3kni h LEU 32 Ca -0.48 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kni h LEU 32 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3kni h LEU 32 CO 0.56 0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.80 3kni n LYS 33 N -4.46 2.09 -2.03 1.13 4.76 -1.26 -5.07 118.16 113.31 3kni n LYS 33 Ca 0.08 -2.62 -0.01 0.00 -2.87 0.00 0.00 58.31 52.89 3kni n LYS 33 Cb 0.14 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 3kni n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3kni n HIS 34 N -0.95 -0.80 -3.02 2.13 8.25 -1.07 -4.78 115.22 114.98 3kni n HIS 34 Ca 0.17 -0.33 0.03 0.00 -0.26 0.00 0.00 57.72 57.33 3kni n HIS 34 Cb 0.72 0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.99 3kni n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3kni s ILE 35 N -2.46 -0.48 0.50 1.59 2.07 -1.25 -0.41 121.20 120.75 3kni s ILE 35 Ca 0.06 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.17 3kni s ILE 35 Cb -0.01 -0.20 -0.06 0.00 0.13 0.00 0.00 42.46 42.32 3kni s ILE 35 CO 0.01 0.00 0.91 -0.31 -1.91 0.00 0.00 174.94 173.64 3kni s TYR 36 N 2.33 3.50 -0.30 3.50 4.12 -0.65 -2.15 117.35 127.70 3kni s TYR 36 Ca 0.18 1.25 -0.00 0.00 0.02 0.00 0.00 57.07 58.52 3kni s TYR 36 Cb -0.01 -2.63 0.19 0.00 -1.52 0.00 0.00 41.96 37.99 3kni s TYR 36 CO -0.17 -0.34 0.60 0.00 0.02 0.00 0.00 175.55 175.66 3kni s ALA 37 N -2.65 -2.28 0.02 3.71 0.00 -0.48 -0.82 121.76 119.26 3kni s ALA 37 Ca 0.55 1.74 0.07 0.00 0.00 0.00 0.00 51.96 54.32 3kni s ALA 37 Cb -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 3kni s ALA 37 CO 0.36 -1.40 -0.21 1.14 0.00 0.00 0.00 175.76 175.66 3kni s GLN 38 N 2.86 2.08 -0.74 0.00 -2.07 -0.77 -1.65 119.66 119.36 3kni s GLN 38 Ca 0.19 -0.96 -0.15 0.00 -1.82 0.00 0.00 55.36 52.62 3kni s GLN 38 Cb -0.14 -2.15 0.18 0.00 -1.09 0.00 0.00 33.01 29.81 3kni s GLN 38 CO -0.22 0.55 0.73 0.42 -1.32 0.00 0.00 175.29 175.45 3kni s ILE 39 N -0.83 5.35 0.46 3.63 1.01 0.35 -0.86 121.20 130.31 3kni s ILE 39 Ca 0.13 -1.99 -0.20 0.00 0.00 0.00 0.00 60.65 58.59 3kni s ILE 39 Cb -0.10 -4.47 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 3kni s ILE 39 CO 0.03 -1.04 0.97 -0.63 0.00 0.00 0.00 174.94 174.26 3kni s ILE 40 N 1.03 4.36 -0.31 2.92 1.01 0.22 -3.01 121.20 127.43 3kni s ILE 40 Ca 0.15 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3kni s ILE 40 Cb -0.16 -3.61 0.07 0.00 0.01 0.00 0.00 42.46 38.76 3kni s ILE 40 CO -0.04 -0.41 0.01 -0.62 0.00 0.00 0.00 174.94 173.87 3kni s ASP 41 N -2.41 4.80 0.70 3.58 2.15 -1.06 -0.60 116.67 123.83 3kni s ASP 41 Ca 0.62 -1.55 -0.05 0.00 0.43 0.00 0.00 52.55 52.00 3kni s ASP 41 Cb -0.10 -1.67 0.08 0.00 -0.30 0.00 0.00 42.92 40.93 3kni s ASP 41 CO 0.19 -0.30 0.99 -1.81 -0.17 0.00 0.00 175.17 174.08 3kni s ASP 42 N 1.24 4.67 0.00 -0.34 1.11 -1.26 -1.58 116.67 120.50 3kni s ASP 42 Ca -0.02 0.22 0.00 0.00 0.18 0.00 0.00 52.55 52.93 3kni s ASP 42 Cb -0.20 -0.82 0.00 0.00 1.07 0.00 0.00 42.92 42.97 3kni s ASP 42 CO -0.04 -1.66 0.00 -0.62 1.18 0.00 0.00 175.17 174.04 3kni n GLU 43 N -2.88 -0.29 0.00 8.23 -0.58 -1.26 -4.47 120.64 119.40 3kni n GLU 43 Ca 0.10 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3kni n GLU 43 Cb 0.60 -3.30 0.00 0.00 -0.57 0.00 0.00 31.44 28.17 3kni n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3kni n LYS 44 N -1.96 0.00 0.00 3.49 4.81 -1.26 -5.09 118.16 118.15 3kni n LYS 44 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kni n LYS 44 Cb 0.07 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.01 3kni n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kni n GLY 45 N -0.57 1.90 1.94 3.14 0.00 -0.62 -5.11 105.19 105.87 3kni n GLY 45 Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 3kni n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kni n VAL 46 N 0.00 0.00 -3.74 1.61 0.31 -1.22 -4.76 118.33 110.52 3kni n VAL 46 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 3kni n VAL 46 Cb 0.00 -0.53 -0.16 0.00 -0.91 0.00 0.00 33.84 32.24 3kni n VAL 46 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kni s THR 47 N -1.62 -0.08 -0.45 2.52 2.01 -1.26 -2.58 115.64 114.18 3kni s THR 47 Ca 0.36 0.24 0.19 0.00 0.31 0.00 0.00 61.69 62.79 3kni s THR 47 Cb -0.06 -0.16 -0.25 0.00 0.01 0.00 0.00 72.50 72.04 3kni s THR 47 CO 0.30 0.10 0.60 0.18 -0.69 0.00 0.00 174.62 175.11 3kni n LEU 48 N 4.40 0.43 -3.64 4.42 4.32 -1.16 -4.99 117.00 120.78 3kni n LEU 48 Ca -0.23 -0.25 -0.08 0.00 -0.02 0.00 0.00 56.01 55.43 3kni n LEU 48 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 3kni n LEU 48 CO 0.18 0.11 0.80 -0.69 -1.22 0.00 0.00 177.39 176.56 3kni s VAL 49 N -3.03 0.00 0.29 4.08 1.01 -1.25 -5.00 120.40 116.49 3kni s VAL 49 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3kni s VAL 49 Cb 0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kni s VAL 49 CO 0.78 0.00 0.16 -0.94 0.00 0.00 0.00 175.10 175.09 3kni s SER 50 N 0.17 1.33 -0.30 3.32 1.04 -1.26 0.13 113.70 118.13 3kni s SER 50 Ca 0.04 -1.53 -0.18 0.00 0.48 0.00 0.00 55.95 54.76 3kni s SER 50 Cb -0.05 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.65 3kni s SER 50 CO -0.07 -0.88 1.26 0.00 0.98 0.00 0.00 173.24 174.53 3kni s ALA 51 N -3.68 -3.00 0.44 5.32 0.00 -0.66 -4.85 121.76 115.34 3kni s ALA 51 Ca 0.37 1.88 0.05 0.00 0.00 0.00 0.00 51.96 54.26 3kni s ALA 51 Cb 0.05 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.97 3kni s ALA 51 CO 0.17 -0.70 0.02 -1.54 0.00 0.00 0.00 175.76 173.71 3kni s SER 52 N 1.65 3.99 0.00 0.00 1.04 -1.26 -1.38 113.70 117.73 3kni s SER 52 Ca -0.03 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 54.94 3kni s SER 52 Cb -0.02 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3kni s SER 52 CO -0.14 -0.59 0.00 -0.24 0.98 0.00 0.00 173.24 173.25 3kni n SER 53 N -1.08 0.00 0.26 7.02 2.88 -0.91 -3.86 113.62 117.92 3kni n SER 53 Ca -0.10 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.51 3kni n SER 53 Cb 0.67 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.50 3kni n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3kni h LEU 54 N 0.00 0.00 0.00 2.46 -0.00 -1.86 1.12 115.31 117.03 3kni h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3kni h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3kni h LEU 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3kni n ALA 55 N -1.60 1.51 -0.10 1.53 0.00 -1.26 -1.27 120.51 119.32 3kni n ALA 55 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kni n ALA 55 Cb 0.57 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3kni n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kni n LEU 56 N -1.17 0.00 0.03 0.00 0.00 0.39 -4.90 117.00 111.35 3kni n LEU 56 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 3kni n LEU 56 Cb 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 43.42 43.04 3kni n LEU 56 CO 0.03 -0.45 0.00 1.17 0.00 0.00 0.00 177.39 178.14 3kni n LYS 57 N -2.40 0.00 0.00 1.96 4.81 -0.40 -5.11 118.16 117.02 3kni n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kni n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3kni n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kni n LEU 58 N -2.64 0.00 0.00 3.14 4.32 -1.26 -4.53 117.00 116.02 3kni n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3kni n LEU 58 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3kni n LEU 58 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 3kni n LYS 59 N 0.00 0.09 0.00 3.23 5.02 -1.26 -4.93 118.16 120.31 3kni n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kni n LYS 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kni n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kni n GLY 60 N 5.00 -0.10 0.00 0.72 0.00 -1.26 -4.95 105.19 104.60 3kni n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kni n ASN 61 N 0.00 0.00 0.00 1.61 4.05 -1.26 -5.01 115.26 114.65 3kni n ASN 61 Ca 0.00 0.37 0.00 0.00 0.45 0.00 0.00 54.58 55.40 3kni n ASN 61 Cb 0.34 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.35 3kni n ASN 61 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3kni n LYS 62 N -0.40 0.00 -0.02 1.20 4.76 -1.26 -4.91 118.16 117.53 3kni n LYS 62 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3kni n LYS 62 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 3kni n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3kni h THR 63 N 0.00 1.35 -0.31 -0.18 1.35 -1.95 -1.29 112.91 111.88 3kni h THR 63 Ca 0.00 -1.53 0.09 0.00 -0.55 0.00 0.00 66.41 64.42 3kni h THR 63 Cb 0.00 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3kni h THR 63 CO 0.00 0.37 0.26 -0.08 -0.25 0.00 0.00 175.52 175.82 3kni h GLU 64 N -0.76 0.00 0.02 4.72 4.81 -1.98 0.24 114.58 121.63 3kni h GLU 64 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kni h GLU 64 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3kni h GLU 64 CO 0.01 0.00 -0.01 0.28 -0.73 0.00 0.00 179.01 178.56 3kni h VAL 65 N 0.00 1.38 -0.61 0.32 2.07 -1.90 -3.22 116.25 114.28 3kni h VAL 65 Ca 0.15 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.52 3kni h VAL 65 Cb 0.67 2.22 -0.12 0.00 -1.52 0.00 0.00 31.29 32.54 3kni h VAL 65 CO -0.00 0.32 -0.32 0.00 0.02 0.00 0.00 177.57 177.59 3kni h ALA 66 N 0.39 0.01 -0.19 1.67 0.00 0.64 -1.36 119.26 120.42 3kni h ALA 66 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kni h ALA 66 Cb 0.54 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kni h ALA 66 CO 0.00 -0.65 0.00 0.54 0.00 0.00 0.00 179.25 179.14 3kni n ARG 67 N -5.44 0.00 -0.30 0.00 5.12 -0.41 -1.39 116.66 114.24 3kni n ARG 67 Ca 0.05 0.83 0.09 0.00 -1.93 0.00 0.00 57.85 56.89 3kni n ARG 67 Cb 0.36 -1.26 0.21 0.00 -1.16 0.00 0.00 32.46 30.61 3kni n ARG 67 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kni h GLN 68 N 0.00 0.06 -0.56 5.56 4.20 -1.28 -0.19 115.11 122.89 3kni h GLN 68 Ca 0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kni h GLN 68 Cb 0.00 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3kni h GLN 68 CO 0.00 0.04 0.30 -0.24 -0.67 0.00 0.00 178.83 178.26 3kni h VAL 69 N 0.06 1.19 -0.16 -0.54 3.04 -0.80 -0.42 116.25 118.61 3kni h VAL 69 Ca 0.50 -0.48 0.02 0.00 -1.01 0.00 0.00 66.70 65.73 3kni h VAL 69 Cb 0.93 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 3kni h VAL 69 CO -0.81 0.20 0.03 1.23 -1.01 0.00 0.00 177.57 177.21 3kni h GLY 70 N 0.75 0.18 -0.12 3.17 0.00 -0.05 0.16 103.07 107.16 3kni h GLY 70 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.53 3kni h GLY 70 CO -0.03 0.00 -0.23 3.21 0.00 0.00 0.00 176.54 179.49 3kni h ARG 71 N 0.10 -0.19 -0.70 4.80 3.08 -0.85 -0.04 114.38 120.58 3kni h ARG 71 Ca 0.07 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.28 3kni h ARG 71 Cb 0.06 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 3kni h ARG 71 CO -0.10 -0.13 0.16 0.00 -1.07 0.00 0.00 179.97 178.84 3kni h ALA 72 N -0.86 0.89 -0.40 0.04 0.00 -0.81 0.09 119.26 118.22 3kni h ALA 72 Ca 0.02 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3kni h ALA 72 Cb 0.26 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3kni h ALA 72 CO -0.22 -0.33 0.13 1.25 0.00 0.00 0.00 179.25 180.08 3kni h LEU 73 N 0.27 0.12 -0.48 0.00 6.46 -0.05 0.96 115.31 122.58 3kni h LEU 73 Ca 0.39 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.27 3kni h LEU 73 Cb 0.64 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 3kni h LEU 73 CO -0.49 0.10 0.15 0.00 -0.62 0.00 0.00 178.44 177.59 3kni h ALA 74 N 1.26 0.57 0.55 1.25 0.00 0.84 -1.08 119.26 122.65 3kni h ALA 74 Ca 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kni h ALA 74 Cb 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kni h ALA 74 CO -0.20 -0.25 -0.32 1.49 0.00 0.00 0.00 179.25 179.98 3kni h GLU 75 N 0.31 -0.77 0.00 0.00 4.81 0.29 -0.76 114.58 118.45 3kni h GLU 75 Ca 0.23 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3kni h GLU 75 Cb 0.26 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kni h GLU 75 CO -0.26 -0.51 0.45 0.87 -0.73 0.00 0.00 179.01 178.83 3kni h LYS 76 N -0.80 0.00 0.00 1.92 1.57 -0.74 -3.23 116.57 115.28 3kni h LYS 76 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kni h LYS 76 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kni h LYS 76 CO 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 3kni n ALA 77 N -1.77 0.00 0.00 3.86 0.00 -0.42 -4.34 120.51 117.84 3kni n ALA 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kni n ALA 77 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3kni n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kni n LEU 78 N 0.00 0.00 0.00 0.00 4.77 -0.40 0.35 117.00 121.72 3kni n LEU 78 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3kni n LEU 78 Cb 0.00 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.39 3kni n LEU 78 CO 0.00 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 176.58 3kni n ALA 79 N 0.00 2.05 -0.03 -1.18 0.00 -1.22 -1.14 120.51 118.99 3kni n ALA 79 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3kni n ALA 79 Cb 0.00 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 3kni n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kni n LEU 80 N -0.83 0.00 0.00 0.00 4.32 1.07 -5.06 117.00 116.49 3kni n LEU 80 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 3kni n LEU 80 Cb 0.04 0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3kni n LEU 80 CO 0.06 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 3kni n GLY 81 N 2.15 0.08 1.48 -0.72 0.00 -0.29 -5.12 105.19 102.77 3kni n GLY 81 Ca -0.09 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 3kni n GLY 81 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kni n ILE 82 N 0.00 0.00 0.00 -0.61 -0.00 -1.26 -4.71 119.36 112.78 3kni n ILE 82 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.50 3kni n ILE 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 3kni n ILE 82 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 3kni n LYS 83 N 1.21 0.00 -5.09 6.28 3.00 -1.26 -4.11 118.16 118.19 3kni n LYS 83 Ca -0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.00 3kni n LYS 83 Cb 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.14 3kni n LYS 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3kni s GLN 84 N -0.24 2.44 0.00 1.64 2.00 -1.26 -1.40 119.66 122.84 3kni s GLN 84 Ca 0.00 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 3kni s GLN 84 Cb 0.00 -1.99 0.00 0.00 0.80 0.00 0.00 33.01 31.82 3kni s GLN 84 CO 0.00 0.25 0.00 1.33 -0.50 0.00 0.00 175.29 176.37 3kni n VAL 85 N 3.26 0.00 0.00 1.34 0.24 -1.26 -4.89 118.33 117.02 3kni n VAL 85 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3kni n VAL 85 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 3kni n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kni n ALA 86 N -3.00 0.00 -1.00 2.33 0.00 -0.70 -4.64 120.51 113.50 3kni n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kni n ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kni n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kni n PHE 87 N 0.00 -0.17 0.00 0.00 7.35 -1.26 -0.51 117.46 122.87 3kni n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3kni n PHE 87 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3kni n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3kni n ASP 88 N 0.00 0.00 -2.32 -2.13 4.64 -1.24 -3.99 116.55 111.51 3kni n ASP 88 Ca 0.00 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3kni n ASP 88 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3kni n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3kni n ARG 89 N 0.00 -4.56 0.00 -0.67 0.00 -1.26 -4.42 116.66 105.75 3kni n ARG 89 Ca 0.00 3.30 0.00 0.00 -0.00 0.00 0.00 57.85 61.15 3kni n ARG 89 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 32.46 28.25 3kni n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kni n GLY 90 N 1.88 -0.38 1.38 5.14 0.00 -1.26 -1.07 105.19 110.88 3kni n GLY 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kni n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kni n PRO 91 N 0.00 0.55 -0.14 1.61 -0.04 -1.26 -4.53 135.00 131.20 3kni n PRO 91 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 3kni n PRO 91 Cb 0.00 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3kni n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3kni n TYR 92 N 1.25 -0.11 -1.95 0.54 4.11 -0.23 -4.70 117.16 116.08 3kni n TYR 92 Ca 0.00 0.42 -0.15 0.00 -0.00 0.00 0.00 57.90 58.17 3kni n TYR 92 Cb 0.28 -0.55 -0.04 0.00 -0.00 0.00 0.00 39.34 39.03 3kni n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3kni n LYS 93 N -4.44 -1.69 0.00 -3.48 3.00 -1.26 -4.07 118.16 106.22 3kni n LYS 93 Ca 0.01 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.15 3kni n LYS 93 Cb 0.10 -5.28 0.00 0.00 0.00 0.00 0.00 35.03 29.84 3kni n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3kni n TYR 94 N -2.83 0.00 -4.01 5.64 9.36 -1.26 -4.74 117.16 119.32 3kni n TYR 94 Ca -0.17 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 60.94 3kni n TYR 94 Cb 0.57 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.25 3kni n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3kni s HIS 95 N 0.00 0.63 0.00 2.98 2.46 -1.26 -4.98 115.29 115.12 3kni s HIS 95 Ca 0.00 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 54.54 3kni s HIS 95 Cb 0.00 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.62 3kni s HIS 95 CO 0.00 -1.15 0.00 0.41 -2.47 0.00 0.00 174.74 171.53 3kni n GLY 96 N -0.48 0.04 0.28 1.59 0.00 -1.26 -0.30 105.19 105.06 3kni n GLY 96 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kni n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kni n ARG 97 N 0.00 0.03 -1.03 1.61 -4.01 -1.26 -4.70 116.66 107.30 3kni n ARG 97 Ca 0.00 0.80 -0.38 0.00 -1.04 0.00 0.00 57.85 57.23 3kni n ARG 97 Cb 0.00 -2.45 -0.04 0.00 -3.04 0.00 0.00 32.46 26.93 3kni n ARG 97 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 3kni n VAL 98 N -2.25 0.60 -3.17 8.89 3.14 0.60 -4.81 118.33 121.33 3kni n VAL 98 Ca 0.00 -0.15 -0.45 0.00 -2.96 0.00 0.00 64.34 60.78 3kni n VAL 98 Cb 0.91 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.69 3kni n VAL 98 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3kni s LYS 99 N -0.30 4.15 -1.46 1.45 -0.14 -1.26 -4.62 119.74 117.56 3kni s LYS 99 Ca 0.56 -2.94 -0.11 0.00 -1.36 0.00 0.00 55.97 52.11 3kni s LYS 99 Cb -0.79 -4.78 0.04 0.00 -1.68 0.00 0.00 37.83 30.62 3kni s LYS 99 CO 0.40 -1.47 2.37 0.00 -0.76 0.00 0.00 175.35 175.89 3kni n ALA 100 N 3.98 6.16 -2.82 5.17 0.00 -1.26 -4.72 120.51 127.02 3kni n ALA 100 Ca 0.29 -3.89 -0.36 0.00 0.00 0.00 0.00 53.44 49.48 3kni n ALA 100 Cb 0.41 -3.33 -0.07 0.00 0.00 0.00 0.00 19.45 16.46 3kni n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kni s LEU 101 N 0.85 4.24 0.00 0.00 -0.00 -1.26 -4.94 118.68 117.58 3kni s LEU 101 Ca 0.52 0.36 0.00 0.00 -0.00 0.00 0.00 54.13 55.01 3kni s LEU 101 Cb 0.15 -2.05 0.00 0.00 -0.00 0.00 0.00 46.19 44.29 3kni s LEU 101 CO -0.07 0.34 0.00 0.00 -0.00 0.00 0.00 176.35 176.62 3kni n ALA 102 N 2.46 0.00 0.00 1.48 0.00 -1.26 -4.03 120.51 119.16 3kni n ALA 102 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3kni n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3kni n ALA 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3kni n GLU 103 N 0.00 0.00 -0.17 0.00 0.00 -1.26 -4.53 120.64 114.68 3kni n GLU 103 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3kni n GLU 103 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.42 3kni n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kni n GLY 104 N 0.00 -0.06 1.31 -1.84 0.00 -1.26 -4.71 105.19 98.63 3kni n GLY 104 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3kni n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kni n ALA 105 N 1.04 3.45 1.04 4.61 0.00 -0.97 -3.62 120.51 126.06 3kni n ALA 105 Ca 0.08 -1.02 0.09 0.00 0.00 0.00 0.00 53.44 52.58 3kni n ALA 105 Cb 0.01 -1.12 0.51 0.00 0.00 0.00 0.00 19.45 18.84 3kni n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3kni n ARG 106 N 0.04 0.47 -0.58 0.00 0.00 -0.49 -4.71 116.66 111.39 3kni n ARG 106 Ca 0.19 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 3kni n ARG 106 Cb 0.83 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.78 3kni n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3kni n GLU 107 N -1.08 -1.52 0.00 -0.14 4.07 -1.24 -4.69 120.64 116.04 3kni n GLU 107 Ca 0.12 1.18 0.00 0.00 -0.06 0.00 0.00 57.16 58.40 3kni n GLU 107 Cb 0.08 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 3kni n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3kni n GLY 108 N -1.98 1.89 0.00 8.31 0.00 -1.26 -4.83 105.19 107.31 3kni n GLY 108 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3kni n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93