#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kaw n GLY 4 N 0.00 -1.58 3.08 5.14 0.00 -1.26 -4.90 105.19 105.67 1kaw n GLY 4 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 1kaw n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kaw s VAL 5 N -1.79 0.92 -0.24 1.61 1.01 -1.26 -5.11 120.40 115.54 1kaw s VAL 5 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1kaw s VAL 5 Cb 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.66 1kaw s VAL 5 CO 0.00 0.15 0.07 0.21 0.00 0.00 0.00 175.10 175.53 1kaw s ASN 6 N -0.55 3.33 -0.00 3.32 3.84 -1.26 -5.12 114.94 118.50 1kaw s ASN 6 Ca 0.03 -1.13 -0.00 0.00 0.21 0.00 0.00 52.86 51.97 1kaw s ASN 6 Cb -0.05 -0.64 0.00 0.00 -0.55 0.00 0.00 41.25 40.01 1kaw s ASN 6 CO 0.00 -0.36 0.00 -0.75 -2.79 0.00 0.00 177.10 173.21 1kaw s LYS 7 N 1.82 0.00 -0.03 0.43 2.20 -1.26 -4.60 119.74 118.30 1kaw s LYS 7 Ca 0.04 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1kaw s LYS 7 Cb -0.17 -0.00 0.01 0.00 -1.51 0.00 0.00 37.83 36.16 1kaw s LYS 7 CO -0.17 -0.00 -0.07 0.08 -0.36 0.00 0.00 175.35 174.83 1kaw s VAL 8 N 0.02 0.64 -0.06 4.02 1.01 -0.74 -4.95 120.40 120.33 1kaw s VAL 8 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1kaw s VAL 8 Cb -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1kaw s VAL 8 CO -0.00 0.23 -0.16 -0.63 0.00 0.00 0.00 175.10 174.54 1kaw s ILE 9 N 0.53 1.38 -0.02 2.22 1.01 -1.26 -1.34 121.20 123.72 1kaw s ILE 9 Ca -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1kaw s ILE 9 Cb -0.11 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1kaw s ILE 9 CO 0.01 0.40 0.10 -0.76 0.00 0.00 0.00 174.94 174.69 1kaw s LEU 10 N 0.29 1.64 -0.11 2.97 1.02 -0.72 -5.01 118.68 118.76 1kaw s LEU 10 Ca -0.09 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1kaw s LEU 10 Cb -0.14 0.43 0.04 0.00 0.02 0.00 0.00 46.19 46.54 1kaw s LEU 10 CO 0.03 -0.15 0.04 -0.69 0.02 0.00 0.00 176.35 175.60 1kaw s VAL 11 N -0.47 0.17 0.10 -1.59 1.01 -1.26 -1.17 120.40 117.19 1kaw s VAL 11 Ca -0.05 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1kaw s VAL 11 Cb -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1kaw s VAL 11 CO 0.00 0.04 0.40 0.61 0.00 0.00 0.00 175.10 176.16 1kaw n GLY 12 N 5.20 1.18 3.63 4.51 0.00 -1.06 -4.83 105.19 113.82 1kaw n GLY 12 Ca -0.06 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1kaw n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kaw s ASN 13 N -1.98 4.70 0.74 1.61 0.02 -1.16 -0.62 114.94 118.25 1kaw s ASN 13 Ca 0.09 -0.26 -0.14 0.00 -1.02 0.00 0.00 52.86 51.53 1kaw s ASN 13 Cb -0.01 -1.03 0.05 0.00 0.02 0.00 0.00 41.25 40.27 1kaw s ASN 13 CO 0.03 0.19 1.16 -0.76 0.02 0.00 0.00 177.10 177.74 1kaw s LEU 14 N -2.12 3.24 -0.14 0.60 1.43 -1.02 -0.46 118.68 120.20 1kaw s LEU 14 Ca 0.23 2.17 0.19 0.00 -1.03 0.00 0.00 54.13 55.69 1kaw s LEU 14 Cb -0.11 -4.57 -0.27 0.00 0.03 0.00 0.00 46.19 41.26 1kaw s LEU 14 CO 0.15 -2.19 0.22 0.61 0.23 0.00 0.00 176.35 175.37 1kaw n GLY 15 N -0.06 -1.01 3.57 -3.19 0.00 -0.39 -3.58 105.19 100.53 1kaw n GLY 15 Ca 0.12 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1kaw n GLY 15 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kaw s GLN 16 N -2.82 0.95 0.66 1.61 -2.07 -1.26 -4.83 119.66 111.91 1kaw s GLN 16 Ca -0.09 0.60 -0.18 0.00 -1.82 0.00 0.00 55.36 53.88 1kaw s GLN 16 Cb 0.09 0.46 -0.13 0.00 -1.09 0.00 0.00 33.01 32.33 1kaw s GLN 16 CO 0.85 -0.22 -0.21 -0.25 -1.32 0.00 0.00 175.29 174.15 1kaw n ASP 17 N 1.74 -3.92 -4.76 12.60 8.00 -1.26 -4.43 116.55 124.52 1kaw n ASP 17 Ca -0.17 0.53 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 1kaw n ASP 17 Cb 0.56 -0.88 0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1kaw n ASP 17 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1kaw s PRO 18 N -1.51 3.59 -0.97 -0.24 0.04 -1.26 -4.82 135.00 129.83 1kaw s PRO 18 Ca 0.54 2.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.98 1kaw s PRO 18 Cb -0.40 -2.60 0.29 0.00 0.04 0.00 0.00 34.50 31.84 1kaw s PRO 18 CO 0.69 -0.90 1.27 0.39 0.04 0.00 0.00 177.00 178.49 1kaw n GLU 19 N -0.33 3.91 -2.57 4.56 1.02 0.46 -4.89 120.64 122.80 1kaw n GLU 19 Ca 0.06 -4.58 -0.38 0.00 -0.02 0.00 0.00 57.16 52.24 1kaw n GLU 19 Cb 0.42 -2.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.35 1kaw n GLU 19 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1kaw s VAL 20 N -2.61 3.73 -0.22 2.62 -7.23 -1.26 -1.53 120.40 113.91 1kaw s VAL 20 Ca 0.33 1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 61.97 1kaw s VAL 20 Cb 0.06 -3.86 0.11 0.00 0.56 0.00 0.00 36.38 33.25 1kaw s VAL 20 CO 0.06 0.18 0.28 -0.13 -0.31 0.00 0.00 175.10 175.18 1kaw s ARG 21 N -1.99 0.25 -0.12 4.82 0.52 0.13 -4.95 118.95 117.60 1kaw s ARG 21 Ca 0.51 0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.77 1kaw s ARG 21 Cb -0.25 -0.91 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 1kaw s ARG 21 CO 0.32 -0.64 1.35 0.71 0.02 0.00 0.00 175.30 177.06 1kaw s TYR 22 N 2.41 2.68 -0.01 -0.53 1.51 -1.26 -2.04 117.35 120.11 1kaw s TYR 22 Ca 0.09 0.83 -0.26 0.00 -1.01 0.00 0.00 57.07 56.72 1kaw s TYR 22 Cb -0.15 -3.60 -0.20 0.00 -0.11 0.00 0.00 41.96 37.90 1kaw s TYR 22 CO -0.13 -2.20 1.30 1.98 -1.11 0.00 0.00 175.55 175.40 1kaw h MET 23 N 8.41 -0.01 0.00 -0.62 4.05 -2.02 -3.48 114.93 121.26 1kaw h MET 23 Ca -0.31 0.00 -0.40 0.00 -0.28 0.00 0.00 59.70 58.71 1kaw h MET 23 Cb 1.13 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.87 1kaw h MET 23 CO 0.95 0.44 -0.25 0.00 0.23 0.00 0.00 176.91 178.28 1kaw n ALA 28 N -2.32 0.38 -3.59 0.39 0.00 -1.26 -5.29 120.51 108.81 1kaw n ALA 28 Ca -0.08 -1.44 -0.02 0.00 0.00 0.00 0.00 53.44 51.89 1kaw n ALA 28 Cb 0.23 0.71 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 1kaw n ALA 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kaw s VAL 29 N -2.00 -0.24 0.11 0.00 1.01 -0.86 -4.09 120.40 114.33 1kaw s VAL 29 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1kaw s VAL 29 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1kaw s VAL 29 CO 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 175.10 175.12 1kaw s ALA 30 N 1.86 3.18 -0.10 5.51 0.00 -0.65 0.17 121.76 131.72 1kaw s ALA 30 Ca -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1kaw s ALA 30 Cb -0.06 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.01 1kaw s ALA 30 CO -0.17 0.64 -0.17 -0.80 0.00 0.00 0.00 175.76 175.26 1kaw s ASN 31 N -2.40 2.52 0.02 0.00 0.01 -0.58 -1.73 114.94 112.78 1kaw s ASN 31 Ca 0.25 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 1kaw s ASN 31 Cb -0.11 -1.14 -0.01 0.00 0.41 0.00 0.00 41.25 40.39 1kaw s ASN 31 CO 0.17 0.05 -0.04 0.27 -1.51 0.00 0.00 177.10 176.04 1kaw s ILE 32 N 0.81 0.27 -0.56 0.60 -4.36 -0.35 -0.40 121.20 117.20 1kaw s ILE 32 Ca -0.10 -0.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1kaw s ILE 32 Cb -0.16 -0.32 0.14 0.00 1.25 0.00 0.00 42.46 43.38 1kaw s ILE 32 CO 0.01 -0.22 0.34 0.28 0.24 0.00 0.00 174.94 175.59 1kaw s THR 33 N -0.81 3.17 0.48 8.37 -1.32 -1.25 0.47 115.64 124.74 1kaw s THR 33 Ca -0.07 -3.06 -0.22 0.00 -1.21 0.00 0.00 61.69 57.13 1kaw s THR 33 Cb -0.06 -3.12 -0.07 0.00 -1.51 0.00 0.00 72.50 67.74 1kaw s THR 33 CO -0.00 -0.83 1.15 -0.76 -2.21 0.00 0.00 174.62 171.97 1kaw s LEU 34 N -0.09 3.93 -0.12 9.08 1.43 0.06 -1.26 118.68 131.71 1kaw s LEU 34 Ca 0.16 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.52 1kaw s LEU 34 Cb -0.23 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1kaw s LEU 34 CO -0.02 -0.99 -0.15 0.00 0.23 0.00 0.00 176.35 175.42 1kaw s ALA 35 N -1.63 1.75 -0.30 4.21 0.00 0.39 0.20 121.76 126.38 1kaw s ALA 35 Ca 0.66 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1kaw s ALA 35 Cb -0.27 -0.91 0.09 0.00 0.00 0.00 0.00 23.12 22.03 1kaw s ALA 35 CO 0.32 -0.19 0.05 0.95 0.00 0.00 0.00 175.76 176.89 1kaw s THR 36 N 1.18 1.45 0.76 0.00 -4.23 -0.56 -2.99 115.64 111.25 1kaw s THR 36 Ca -0.02 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.69 1kaw s THR 36 Cb -0.14 -2.02 0.18 0.00 1.34 0.00 0.00 72.50 71.86 1kaw s THR 36 CO -0.05 -0.54 0.92 -1.20 -0.54 0.00 0.00 174.62 173.21 1kaw n SER 37 N 4.62 -0.44 -3.11 3.99 7.64 -1.26 -3.39 113.62 121.67 1kaw n SER 37 Ca -0.02 -1.25 -0.13 0.00 1.01 0.00 0.00 58.87 58.48 1kaw n SER 37 Cb 0.42 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 1kaw n SER 37 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1kaw s GLU 38 N -5.02 2.03 0.00 1.43 2.02 -1.26 -4.94 118.70 112.96 1kaw s GLU 38 Ca 0.54 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1kaw s GLU 38 Cb -0.02 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.70 1kaw s GLU 38 CO 0.39 -0.88 0.00 -1.13 0.02 0.00 0.00 175.26 173.66 1kaw n SER 39 N -1.47 0.00 0.00 -0.19 3.41 -1.26 -4.64 113.62 109.47 1kaw n SER 39 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1kaw n SER 39 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1kaw n SER 39 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1kaw n GLU 50 N 0.00 0.03 -2.15 4.33 0.00 -1.26 -5.25 120.64 116.33 1kaw n GLU 50 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 57.16 56.91 1kaw n GLU 50 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1kaw n GLU 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1kaw n GLN 51 N -0.02 -1.00 -1.67 3.44 1.13 -1.26 -4.59 117.38 113.41 1kaw n GLN 51 Ca 0.00 0.00 -0.52 0.00 -1.94 0.00 0.00 57.00 54.54 1kaw n GLN 51 Cb 0.29 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.58 1kaw n GLN 51 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1kaw n THR 52 N -0.83 0.28 -3.80 5.09 -1.04 -1.26 -4.67 114.28 108.05 1kaw n THR 52 Ca 0.00 -0.05 -0.21 0.00 -2.04 0.00 0.00 64.05 61.75 1kaw n THR 52 Cb 0.00 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.08 1kaw n THR 52 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1kaw s GLU 53 N 2.71 2.69 0.09 -2.82 2.56 -1.22 -4.95 118.70 117.76 1kaw s GLU 53 Ca 0.91 -1.33 0.07 0.00 0.00 0.00 0.00 54.97 54.62 1kaw s GLU 53 Cb -0.87 -2.45 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 1kaw s GLU 53 CO 0.54 0.07 -0.18 -1.58 -0.56 0.00 0.00 175.26 173.54 1kaw s TRP 54 N -2.33 1.59 0.01 5.30 0.52 -1.26 -1.49 118.94 121.28 1kaw s TRP 54 Ca 0.41 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 56.14 1kaw s TRP 54 Cb -0.05 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.37 1kaw s TRP 54 CO 0.26 0.16 -0.14 -1.01 0.02 0.00 0.00 176.95 176.24 1kaw s HIS 55 N -1.25 1.26 -0.74 -1.98 3.76 0.54 -4.95 115.29 111.94 1kaw s HIS 55 Ca 0.04 -0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 54.52 1kaw s HIS 55 Cb -0.10 -0.78 0.19 0.00 1.11 0.00 0.00 32.58 33.00 1kaw s HIS 55 CO 0.04 0.01 0.67 0.50 -0.85 0.00 0.00 174.74 175.11 1kaw s ARG 56 N -0.69 3.37 -0.11 1.40 3.52 -1.26 -0.76 118.95 124.41 1kaw s ARG 56 Ca 0.04 -2.27 -0.12 0.00 -0.13 0.00 0.00 55.73 53.25 1kaw s ARG 56 Cb -0.06 -4.34 -0.05 0.00 -1.56 0.00 0.00 34.95 28.93 1kaw s ARG 56 CO 0.00 -1.29 0.27 0.08 -0.81 0.00 0.00 175.30 173.55 1kaw s VAL 57 N 0.52 5.30 -0.28 7.11 1.01 0.18 -2.00 120.40 132.23 1kaw s VAL 57 Ca 0.14 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1kaw s VAL 57 Cb -0.16 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1kaw s VAL 57 CO -0.06 0.50 -0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1kaw s VAL 58 N -0.30 2.94 -0.58 2.92 1.01 0.80 -1.21 120.40 125.97 1kaw s VAL 58 Ca 0.17 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1kaw s VAL 58 Cb -0.13 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 33.74 1kaw s VAL 58 CO 0.06 -0.01 0.58 -0.76 0.00 0.00 0.00 175.10 174.96 1kaw s LEU 59 N 1.27 6.01 0.00 3.92 1.43 -0.70 -0.50 118.68 130.11 1kaw s LEU 59 Ca -0.04 -1.77 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 1kaw s LEU 59 Cb -0.19 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1kaw s LEU 59 CO -0.02 -0.91 0.00 0.49 0.23 0.00 0.00 176.35 176.14 1kaw n PHE 60 N 5.45 0.00 0.00 0.29 3.72 -1.09 -1.64 117.46 124.19 1kaw n PHE 60 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1kaw n PHE 60 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1kaw n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kaw n GLY 61 N 1.60 0.00 0.36 1.37 0.00 -1.26 -2.54 105.19 104.73 1kaw n GLY 61 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1kaw n GLY 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1kaw h LYS 62 N 0.00 1.02 0.00 1.61 -0.00 -1.93 -2.02 116.57 115.25 1kaw h LYS 62 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.59 1kaw h LYS 62 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 32.23 32.00 1kaw h LYS 62 CO 0.00 0.67 0.67 -0.07 -0.00 0.00 0.00 179.45 180.72 1kaw h LEU 63 N 1.05 0.00 0.09 7.07 -0.00 -1.90 0.82 115.31 122.43 1kaw h LEU 63 Ca 0.35 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 58.09 1kaw h LEU 63 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1kaw h LEU 63 CO -0.11 0.00 -0.63 0.00 -0.00 0.00 0.00 178.44 177.70 1kaw h ALA 64 N 0.47 -0.02 -0.69 1.53 0.00 -1.07 -3.11 119.26 116.37 1kaw h ALA 64 Ca 0.00 -0.69 0.14 0.00 0.00 0.00 0.00 54.91 54.36 1kaw h ALA 64 Cb 1.34 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.13 1kaw h ALA 64 CO 0.00 0.31 -0.11 0.93 0.00 0.00 0.00 179.25 180.38 1kaw h GLU 65 N -0.59 0.03 -0.57 0.00 4.39 0.51 -0.56 114.58 117.80 1kaw h GLU 65 Ca -0.12 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1kaw h GLU 65 Cb 1.44 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.04 1kaw h GLU 65 CO 0.08 0.02 0.31 0.28 -1.16 0.00 0.00 179.01 178.55 1kaw h VAL 66 N 0.03 0.99 -0.07 3.13 2.07 -1.64 0.26 116.25 121.02 1kaw h VAL 66 Ca 0.35 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1kaw h VAL 66 Cb 0.55 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1kaw h VAL 66 CO -0.68 0.11 -0.25 0.00 0.02 0.00 0.00 177.57 176.78 1kaw h ALA 67 N 1.28 -0.27 0.34 1.67 0.00 -1.05 0.23 119.26 121.46 1kaw h ALA 67 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1kaw h ALA 67 Cb 0.11 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1kaw h ALA 67 CO -0.14 -0.73 -0.19 0.66 0.00 0.00 0.00 179.25 178.85 1kaw h SER 68 N -0.34 -0.45 -0.57 0.00 4.64 -0.99 0.47 113.55 116.31 1kaw h SER 68 Ca 0.08 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 61.53 1kaw h SER 68 Cb 0.46 0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 62.57 1kaw h SER 68 CO -0.27 -0.30 -0.28 -0.33 -0.87 0.00 0.00 176.83 174.77 1kaw h GLU 69 N -0.49 -0.13 0.00 4.77 3.07 0.23 -3.37 114.58 118.67 1kaw h GLU 69 Ca -0.04 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1kaw h GLU 69 Cb 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1kaw h GLU 69 CO 0.05 -0.09 -0.08 2.48 -1.40 0.00 0.00 179.01 179.98 1kaw n TYR 70 N -5.43 0.00 0.00 4.33 0.18 0.76 -5.01 117.16 111.98 1kaw n TYR 70 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 1kaw n TYR 70 Cb 0.35 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 1kaw n TYR 70 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1kaw n LEU 71 N 0.00 0.00 -1.37 -3.48 7.94 0.17 -5.03 117.00 115.23 1kaw n LEU 71 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kaw n LEU 71 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1kaw n LEU 71 CO 0.00 0.00 -0.17 -1.14 -1.11 0.00 0.00 177.39 174.97 1kaw n ARG 72 N 0.00 -1.82 0.00 1.96 0.63 -1.26 -4.65 116.66 111.52 1kaw n ARG 72 Ca 0.00 1.64 0.00 0.00 -0.92 0.00 0.00 57.85 58.57 1kaw n ARG 72 Cb 0.00 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1kaw n ARG 72 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1kaw n LYS 73 N 0.64 0.00 0.00 -0.14 4.81 -1.26 -2.83 118.16 119.37 1kaw n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1kaw n LYS 73 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1kaw n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kaw n GLY 74 N 0.00 2.50 3.65 3.14 0.00 -1.23 -4.90 105.19 108.35 1kaw n GLY 74 Ca 0.00 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.40 1kaw n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kaw n SER 75 N 0.85 2.77 -4.77 1.61 3.41 -1.13 -4.43 113.62 111.94 1kaw n SER 75 Ca 0.00 1.08 -0.39 0.00 -0.26 0.00 0.00 58.87 59.29 1kaw n SER 75 Cb 0.00 -1.35 -0.06 0.00 -0.26 0.00 0.00 64.21 62.54 1kaw n SER 75 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1kaw s GLN 76 N 1.37 4.70 0.13 4.33 2.00 -1.26 -2.43 119.66 128.50 1kaw s GLN 76 Ca 0.83 1.34 -0.10 0.00 -2.00 0.00 0.00 55.36 55.43 1kaw s GLN 76 Cb -0.76 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 29.86 1kaw s GLN 76 CO 0.43 0.49 0.27 0.14 -0.50 0.00 0.00 175.29 176.12 1kaw s VAL 77 N -1.25 0.10 -0.05 1.34 -7.23 0.20 -3.20 120.40 110.31 1kaw s VAL 77 Ca 0.41 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1kaw s VAL 77 Cb -0.24 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1kaw s VAL 77 CO 0.29 -0.44 -0.21 -0.47 -0.31 0.00 0.00 175.10 173.96 1kaw s TYR 78 N -3.90 2.53 -0.01 2.82 6.14 -0.80 -2.56 117.35 121.56 1kaw s TYR 78 Ca 0.10 -0.44 -0.01 0.00 0.64 0.00 0.00 57.07 57.37 1kaw s TYR 78 Cb 0.04 -1.60 0.01 0.00 0.42 0.00 0.00 41.96 40.82 1kaw s TYR 78 CO -0.06 -0.03 0.02 0.42 0.64 0.00 0.00 175.55 176.55 1kaw s ILE 79 N -0.44 -0.01 -0.06 3.14 1.01 -0.32 -2.04 121.20 122.48 1kaw s ILE 79 Ca 0.05 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1kaw s ILE 79 Cb -0.12 -0.05 0.01 0.00 0.01 0.00 0.00 42.46 42.31 1kaw s ILE 79 CO 0.01 0.02 -0.14 -0.70 0.00 0.00 0.00 174.94 174.13 1kaw s GLU 80 N 0.24 1.74 0.00 2.79 2.12 -0.77 -1.76 118.70 123.05 1kaw s GLU 80 Ca -0.02 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1kaw s GLU 80 Cb -0.03 -1.45 0.00 0.00 0.26 0.00 0.00 34.13 32.91 1kaw s GLU 80 CO -0.01 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1kaw n GLY 81 N 3.59 2.73 3.26 -1.50 0.00 -0.45 -0.72 105.19 112.10 1kaw n GLY 81 Ca -0.21 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 1kaw n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kaw s GLN 82 N 1.04 1.08 -0.15 1.61 -0.21 -0.93 -1.80 119.66 120.31 1kaw s GLN 82 Ca 0.00 -1.35 -0.28 0.00 0.02 0.00 0.00 55.36 53.76 1kaw s GLN 82 Cb 0.00 -0.88 -0.01 0.00 1.00 0.00 0.00 33.01 33.12 1kaw s GLN 82 CO 0.00 0.15 0.93 -0.51 -2.12 0.00 0.00 175.29 173.74 1kaw s LEU 83 N -2.77 4.19 -0.10 2.90 1.43 -1.26 -1.31 118.68 121.77 1kaw s LEU 83 Ca 0.13 1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1kaw s LEU 83 Cb -0.02 -3.41 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1kaw s LEU 83 CO 0.03 -0.46 -0.07 -0.60 0.23 0.00 0.00 176.35 175.49 1kaw s ARG 84 N 2.24 1.37 -0.26 1.70 3.52 0.11 -4.96 118.95 122.66 1kaw s ARG 84 Ca 0.43 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1kaw s ARG 84 Cb -0.17 -1.44 0.05 0.00 -1.56 0.00 0.00 34.95 31.83 1kaw s ARG 84 CO 0.14 -0.23 -0.09 0.99 -0.81 0.00 0.00 175.30 175.29 1kaw s THR 85 N 1.61 2.42 -0.09 4.11 2.01 -1.26 0.14 115.64 124.58 1kaw s THR 85 Ca 0.02 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 1kaw s THR 85 Cb -0.13 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1kaw s THR 85 CO -0.06 0.03 -0.04 0.00 -0.69 0.00 0.00 174.62 173.86 1kaw s ARG 86 N 1.18 3.02 -0.15 4.92 1.70 -0.10 -4.91 118.95 124.61 1kaw s ARG 86 Ca -0.06 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.57 1kaw s ARG 86 Cb -0.19 -2.72 -0.05 0.00 -0.57 0.00 0.00 34.95 31.43 1kaw s ARG 86 CO -0.05 0.58 0.26 -1.59 -1.08 0.00 0.00 175.30 173.42 1kaw s LYS 87 N -0.57 4.11 -0.21 3.89 -2.85 -1.26 -0.42 119.74 122.44 1kaw s LYS 87 Ca 0.09 0.05 -0.05 0.00 -1.00 0.00 0.00 55.97 55.06 1kaw s LYS 87 Cb -0.12 -3.38 0.08 0.00 -2.06 0.00 0.00 37.83 32.35 1kaw s LYS 87 CO 0.02 0.36 0.12 1.67 0.10 0.00 0.00 175.35 177.62 1kaw s TRP 88 N 0.12 0.15 0.30 1.78 -2.14 0.30 -4.94 118.94 114.51 1kaw s TRP 88 Ca 0.16 -0.38 -0.30 0.00 2.66 0.00 0.00 56.10 58.24 1kaw s TRP 88 Cb -0.13 -0.70 -0.11 0.00 -3.10 0.00 0.00 33.47 29.43 1kaw s TRP 88 CO 0.04 -0.61 1.59 0.95 -2.66 0.00 0.00 176.95 176.26 1kaw s THR 89 N 2.16 2.05 0.52 0.66 -4.23 -1.26 -3.08 115.64 112.46 1kaw s THR 89 Ca 0.04 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1kaw s THR 89 Cb -0.16 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.69 1kaw s THR 89 CO -0.17 0.01 0.56 1.51 -0.54 0.00 0.00 174.62 175.99 1kaw s ASP 90 N 0.43 4.99 0.26 3.99 -4.77 0.28 -4.88 116.67 116.98 1kaw s ASP 90 Ca 0.62 -0.91 -0.09 0.00 -3.30 0.00 0.00 52.55 48.87 1kaw s ASP 90 Cb -0.48 0.06 0.41 0.00 -1.09 0.00 0.00 42.92 41.82 1kaw s ASP 90 CO 0.50 -1.06 1.59 1.56 0.70 0.00 0.00 175.17 178.45 1kaw h GLN 91 N 0.59 0.01 0.00 2.11 1.08 -1.96 3.66 115.11 120.60 1kaw h GLN 91 Ca -0.36 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 1kaw h GLN 91 Cb 1.29 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1kaw h GLN 91 CO 0.50 0.01 0.00 0.43 -0.95 0.00 0.00 178.83 178.82 1kaw n SER 92 N -5.54 0.00 -0.72 1.46 7.64 -1.26 -4.73 113.62 110.47 1kaw n SER 92 Ca 0.14 -0.58 -0.09 0.00 1.01 0.00 0.00 58.87 59.34 1kaw n SER 92 Cb 0.46 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 1kaw n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kaw n GLY 93 N -0.21 1.09 3.79 0.23 0.00 1.21 -5.01 105.19 106.28 1kaw n GLY 93 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1kaw n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kaw s GLN 94 N -2.66 3.09 -0.25 1.61 -2.07 -1.16 -4.75 119.66 113.47 1kaw s GLN 94 Ca 0.00 -0.47 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1kaw s GLN 94 Cb 0.00 -2.88 -0.00 0.00 -1.09 0.00 0.00 33.01 29.04 1kaw s GLN 94 CO 0.00 0.65 1.24 -0.51 -1.32 0.00 0.00 175.29 175.35 1kaw s ASP 95 N -1.71 6.83 0.14 12.60 1.11 -1.26 0.99 116.67 135.37 1kaw s ASP 95 Ca 0.23 1.36 0.09 0.00 0.18 0.00 0.00 52.55 54.41 1kaw s ASP 95 Cb -0.12 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1kaw s ASP 95 CO 0.14 -0.91 -0.21 -0.13 1.18 0.00 0.00 175.17 175.23 1kaw s ARG 96 N 3.79 1.26 0.02 8.23 1.81 -1.18 -4.92 118.95 127.97 1kaw s ARG 96 Ca 0.53 -1.31 0.06 0.00 -1.72 0.00 0.00 55.73 53.28 1kaw s ARG 96 Cb -0.18 -1.51 -0.02 0.00 -0.45 0.00 0.00 34.95 32.80 1kaw s ARG 96 CO 0.18 0.34 -0.17 0.71 -0.68 0.00 0.00 175.30 175.67 1kaw s TYR 97 N -1.49 1.51 -0.11 -0.53 1.51 -1.26 0.11 117.35 117.09 1kaw s TYR 97 Ca 0.12 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1kaw s TYR 97 Cb -0.08 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 1kaw s TYR 97 CO 0.06 0.03 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.23 1kaw s THR 98 N -0.64 2.19 -0.25 -0.71 -1.32 0.44 -4.96 115.64 110.39 1kaw s THR 98 Ca 0.05 -0.96 -0.09 0.00 -1.21 0.00 0.00 61.69 59.48 1kaw s THR 98 Cb -0.07 -1.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 1kaw s THR 98 CO 0.01 0.55 0.12 0.28 -2.21 0.00 0.00 174.62 173.36 1kaw s THR 99 N 0.47 4.79 0.20 5.08 -1.32 -1.26 -0.92 115.64 122.67 1kaw s THR 99 Ca -0.15 -0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 1kaw s THR 99 Cb -0.17 -3.24 -0.05 0.00 -1.51 0.00 0.00 72.50 67.53 1kaw s THR 99 CO 0.06 0.32 0.06 -1.83 -2.21 0.00 0.00 174.62 171.02 1kaw s GLU 100 N 1.47 1.18 -0.33 7.08 -1.05 0.37 -4.77 118.70 122.65 1kaw s GLU 100 Ca 0.06 -1.60 -0.07 0.00 -0.15 0.00 0.00 54.97 53.21 1kaw s GLU 100 Cb -0.15 -0.11 0.03 0.00 -0.44 0.00 0.00 34.13 33.46 1kaw s GLU 100 CO 0.06 -0.24 0.11 0.14 0.95 0.00 0.00 175.26 176.28 1kaw s VAL 101 N -3.82 3.97 0.05 1.83 -7.23 -0.85 0.05 120.40 114.40 1kaw s VAL 101 Ca 0.30 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.42 1kaw s VAL 101 Cb 0.07 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 1kaw s VAL 101 CO 0.08 -0.10 0.41 0.68 -0.31 0.00 0.00 175.10 175.86 1kaw s VAL 102 N 1.46 5.06 -0.70 1.32 -7.23 -0.43 -0.14 120.40 119.75 1kaw s VAL 102 Ca 0.00 0.63 0.05 0.00 -1.81 0.00 0.00 61.98 60.85 1kaw s VAL 102 Cb -0.19 -3.67 0.23 0.00 0.56 0.00 0.00 36.38 33.31 1kaw s VAL 102 CO 0.03 0.41 0.72 0.52 -0.31 0.00 0.00 175.10 176.47 1kaw n VAL 103 N 1.29 2.37 0.00 1.32 0.31 0.34 -2.19 118.33 121.77 1kaw n VAL 103 Ca -0.10 -5.16 0.00 0.00 -0.01 0.00 0.00 64.34 59.06 1kaw n VAL 103 Cb 0.52 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1kaw n VAL 103 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1kaw n ASN 104 N 1.26 0.00 -4.78 4.52 5.15 -1.26 -2.69 115.26 117.46 1kaw n ASN 104 Ca 0.27 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 54.02 1kaw n ASN 104 Cb 0.39 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.59 1kaw n ASN 104 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1kaw s VAL 105 N 0.41 3.99 0.00 3.44 -7.23 -1.26 -4.68 120.40 115.07 1kaw s VAL 105 Ca 0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 1kaw s VAL 105 Cb 0.00 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1kaw s VAL 105 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1kaw n GLY 106 N -1.14 2.16 2.93 2.32 0.00 -1.26 -4.95 105.19 105.25 1kaw n GLY 106 Ca -0.06 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1kaw n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kaw n GLY 107 N 0.00 -2.34 3.74 -0.02 0.00 -1.25 -4.98 105.19 100.34 1kaw n GLY 107 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1kaw n GLY 107 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kaw s THR 108 N -2.01 0.00 0.01 2.61 -1.32 0.10 -4.90 115.64 110.13 1kaw s THR 108 Ca 0.25 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.77 1kaw s THR 108 Cb 0.07 -1.92 -0.01 0.00 -1.51 0.00 0.00 72.50 69.13 1kaw s THR 108 CO 0.44 -0.01 -0.06 -0.32 -2.21 0.00 0.00 174.62 172.46 1kaw s MET 109 N -3.92 0.46 -0.21 7.08 0.00 -1.26 -1.85 119.30 119.59 1kaw s MET 109 Ca 0.12 -0.34 -0.06 0.00 0.00 0.00 0.00 55.69 55.42 1kaw s MET 109 Cb -0.04 -0.38 0.11 0.00 0.00 0.00 0.00 34.83 34.51 1kaw s MET 109 CO 0.05 0.10 0.41 -1.14 0.00 0.00 0.00 175.02 174.44 1kaw s GLN 110 N -0.51 0.34 0.48 4.11 0.74 -0.86 -4.97 119.66 118.98 1kaw s GLN 110 Ca -0.01 0.90 -0.23 0.00 0.05 0.00 0.00 55.36 56.07 1kaw s GLN 110 Cb -0.04 0.13 -0.07 0.00 1.10 0.00 0.00 33.01 34.13 1kaw s GLN 110 CO -0.00 -0.37 1.31 -1.64 -0.55 0.00 0.00 175.29 174.05 1kaw s MET 111 N 2.60 3.52 0.00 1.67 -1.94 -1.26 -1.91 119.30 121.98 1kaw s MET 111 Ca 0.03 2.14 0.00 0.00 -1.71 0.00 0.00 55.69 56.15 1kaw s MET 111 Cb -0.13 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.26 1kaw s MET 111 CO -0.14 -0.86 0.26 1.28 -0.01 0.00 0.00 175.02 175.56