#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl8 s VAL 2 N 0.00 2.27 -0.28 9.51 0.11 -1.26 -4.10 120.40 126.65 1kl8 s VAL 2 Ca 0.00 -1.66 -0.16 0.00 -2.93 0.00 0.00 61.98 57.24 1kl8 s VAL 2 Cb 0.00 -2.93 0.10 0.00 -1.53 0.00 0.00 36.38 32.02 1kl8 s VAL 2 CO 0.00 0.00 0.77 0.00 -3.33 0.00 0.00 175.10 172.54 1kl8 n HIS 4 N 4.25 -1.21 -0.67 0.00 8.25 -1.26 -2.14 115.22 122.44 1kl8 n HIS 4 Ca -0.19 0.71 -0.32 0.00 -0.26 0.00 0.00 57.72 57.67 1kl8 n HIS 4 Cb 0.58 -1.89 0.17 0.00 1.12 0.00 0.00 29.99 29.97 1kl8 n HIS 4 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1kl8 n THR 5 N -0.67 0.00 0.33 1.59 5.66 -1.25 -4.28 114.28 115.67 1kl8 n THR 5 Ca 0.13 -0.28 0.11 0.00 -3.05 0.00 0.00 64.05 60.96 1kl8 n THR 5 Cb 0.36 -0.58 0.58 0.00 -1.55 0.00 0.00 70.33 69.14 1kl8 n THR 5 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1kl8 h THR 6 N -2.08 0.00 -3.15 1.09 2.02 -1.93 -3.33 112.91 105.53 1kl8 h THR 6 Ca -0.52 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 1kl8 h THR 6 Cb 1.34 0.47 0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1kl8 h THR 6 CO 0.37 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 176.05 1kl8 n ALA 7 N -1.78 -0.67 -0.25 6.16 0.00 -1.26 -3.46 120.51 119.26 1kl8 n ALA 7 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kl8 n ALA 7 Cb 0.56 -1.25 0.12 0.00 0.00 0.00 0.00 19.45 18.87 1kl8 n ALA 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1kl8 h THR 8 N -0.44 0.95 0.00 0.00 1.35 -1.98 -3.46 112.91 109.32 1kl8 h THR 8 Ca -0.16 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1kl8 h THR 8 Cb 1.09 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1kl8 h THR 8 CO 0.13 0.13 0.00 -0.24 -0.25 0.00 0.00 175.52 175.29 1kl8 n SER 9 N -4.77 -1.34 -4.55 5.36 2.88 -1.26 -5.10 113.62 104.84 1kl8 n SER 9 Ca 0.10 0.37 -0.43 0.00 -1.33 0.00 0.00 58.87 57.58 1kl8 n SER 9 Cb 0.20 1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 65.09 1kl8 n SER 9 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kl8 s PRO 10 N -1.46 3.49 -0.48 -1.46 0.04 -1.26 -5.00 135.00 128.87 1kl8 s PRO 10 Ca 0.00 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 60.69 1kl8 s PRO 10 Cb 0.00 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1kl8 s PRO 10 CO 0.00 -0.95 2.17 0.42 0.04 0.00 0.00 177.00 178.68 1kl8 s ILE 11 N 2.97 3.15 0.00 0.56 1.09 -1.26 -4.85 121.20 122.86 1kl8 s ILE 11 Ca 0.26 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 1kl8 s ILE 11 Cb -0.13 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1kl8 s ILE 11 CO 0.19 -0.31 0.00 -1.20 -0.10 0.00 0.00 174.94 173.52 1kl8 n SER 12 N 13.99 0.00 -3.79 3.58 7.64 -1.26 -5.03 113.62 128.74 1kl8 n SER 12 Ca 0.30 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.05 1kl8 n SER 12 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1kl8 n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kl8 s ALA 13 N -2.23 -0.63 0.11 -0.43 0.00 -1.26 -3.76 121.76 113.56 1kl8 s ALA 13 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1kl8 s ALA 13 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1kl8 s ALA 13 CO 0.00 -0.17 0.20 0.08 0.00 0.00 0.00 175.76 175.87 1kl8 s VAL 14 N -0.49 0.12 0.53 0.00 1.01 -0.91 -4.74 120.40 115.92 1kl8 s VAL 14 Ca -0.06 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 1kl8 s VAL 14 Cb -0.04 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 1kl8 s VAL 14 CO 0.02 -0.55 1.02 -0.89 0.00 0.00 0.00 175.10 174.69 1kl8 s THR 15 N -3.91 4.10 0.29 3.92 2.01 -1.26 -0.38 115.64 120.41 1kl8 s THR 15 Ca 0.10 1.08 -0.18 0.00 0.31 0.00 0.00 61.69 63.00 1kl8 s THR 15 Cb 0.05 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.94 1kl8 s THR 15 CO -0.07 -0.50 0.76 0.00 -0.69 0.00 0.00 174.62 174.12 1kl8 n PRO 17 N 0.14 -1.22 -0.17 0.00 -0.02 -1.25 -4.92 135.00 127.57 1kl8 n PRO 17 Ca 0.01 -0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.25 1kl8 n PRO 17 Cb 0.52 -1.61 0.42 0.00 -0.02 0.00 0.00 33.50 32.81 1kl8 n PRO 17 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1kl8 h PRO 18 N -1.85 0.59 0.00 0.52 0.13 -2.03 -3.31 132.00 126.04 1kl8 h PRO 18 Ca -0.51 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1kl8 h PRO 18 Cb 1.36 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kl8 h PRO 18 CO 0.35 0.39 -0.14 0.78 -0.23 0.00 0.00 178.00 179.15 1kl8 h GLY 19 N 0.61 0.00 -1.94 1.56 0.00 -1.99 -3.48 103.07 97.83 1kl8 h GLY 19 Ca 0.33 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.16 1kl8 h GLY 19 CO -0.11 0.00 0.41 -0.54 0.00 0.00 0.00 176.54 176.29 1kl8 s GLU 20 N -1.73 3.19 0.05 4.80 8.01 -1.25 -4.78 118.70 126.99 1kl8 s GLU 20 Ca -0.04 1.51 0.00 0.00 0.01 0.00 0.00 54.97 56.45 1kl8 s GLU 20 Cb 0.01 -1.99 0.00 0.00 -4.31 0.00 0.00 34.13 27.83 1kl8 s GLU 20 CO 0.06 -0.96 0.00 0.09 0.01 0.00 0.00 175.26 174.46 1kl8 n ASN 21 N -1.69 -0.34 -4.76 -0.19 3.02 0.30 -3.77 115.26 107.83 1kl8 n ASN 21 Ca 0.11 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.38 1kl8 n ASN 21 Cb 0.51 0.65 0.02 0.00 -0.61 0.00 0.00 39.78 40.35 1kl8 n ASN 21 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1kl8 s LEU 22 N -5.20 3.82 -0.13 3.41 0.05 -1.03 -4.68 118.68 114.92 1kl8 s LEU 22 Ca 0.00 2.40 -0.18 0.00 0.05 0.00 0.00 54.13 56.41 1kl8 s LEU 22 Cb 0.00 -4.42 -0.04 0.00 -2.05 0.00 0.00 46.19 39.67 1kl8 s LEU 22 CO 0.00 -1.32 0.46 0.00 -0.55 0.00 0.00 176.35 174.93 1kl8 s TYR 24 N 0.65 2.97 -0.06 0.00 -0.85 0.21 -2.08 117.35 118.19 1kl8 s TYR 24 Ca 0.25 -0.12 -0.02 0.00 -0.52 0.00 0.00 57.07 56.65 1kl8 s TYR 24 Cb -0.15 -1.37 0.04 0.00 0.38 0.00 0.00 41.96 40.86 1kl8 s TYR 24 CO 0.09 0.54 0.11 -0.98 -1.52 0.00 0.00 175.55 173.80 1kl8 s ARG 25 N -3.50 0.00 -0.22 -3.49 1.70 -0.68 -2.87 118.95 109.89 1kl8 s ARG 25 Ca 0.31 0.42 -0.07 0.00 -0.47 0.00 0.00 55.73 55.92 1kl8 s ARG 25 Cb -0.08 -0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 1kl8 s ARG 25 CO 0.22 -0.26 0.06 0.15 -1.08 0.00 0.00 175.30 174.39 1kl8 s LYS 26 N 1.85 3.80 -0.01 3.89 1.02 -1.01 -2.11 119.74 127.16 1kl8 s LYS 26 Ca -0.01 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 1kl8 s LYS 26 Cb -0.12 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1kl8 s LYS 26 CO -0.05 0.03 0.02 -1.64 -0.92 0.00 0.00 175.35 172.80 1kl8 s MET 27 N 1.02 0.02 -0.23 1.68 -1.94 -1.20 -1.59 119.30 117.06 1kl8 s MET 27 Ca 0.04 0.04 0.10 0.00 -1.71 0.00 0.00 55.69 54.16 1kl8 s MET 27 Cb -0.14 -0.01 0.44 0.00 2.01 0.00 0.00 34.83 37.13 1kl8 s MET 27 CO 0.03 -0.01 1.20 -2.67 -0.01 0.00 0.00 175.02 173.56 1kl8 n TRP 28 N 3.15 1.15 0.03 -0.03 2.14 -1.26 -3.86 117.44 118.76 1kl8 n TRP 28 Ca -0.13 -1.77 0.00 0.00 2.07 0.00 0.00 57.50 57.67 1kl8 n TRP 28 Cb 0.59 -0.28 0.00 0.00 -0.81 0.00 0.00 31.31 30.81 1kl8 n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1kl8 n ASP 30 N -2.69 -4.75 0.00 0.00 2.03 -1.26 -4.61 116.55 105.28 1kl8 n ASP 30 Ca 0.00 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1kl8 n ASP 30 Cb 0.00 -2.38 0.00 0.00 -0.72 0.00 0.00 41.12 38.02 1kl8 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kl8 n ALA 31 N -4.45 0.00 0.00 -1.67 0.00 -1.26 -5.10 120.51 108.03 1kl8 n ALA 31 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1kl8 n ALA 31 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1kl8 n ALA 31 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1kl8 n PHE 32 N 0.00 0.00 1.65 0.00 -1.74 -1.26 -4.87 117.46 111.23 1kl8 n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1kl8 n PHE 32 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1kl8 n PHE 32 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1kl8 n SER 34 N -0.32 -5.63 0.00 0.00 2.88 -1.25 -4.80 113.62 104.50 1kl8 n SER 34 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1kl8 n SER 34 Cb 0.09 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 1kl8 n SER 34 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1kl8 n SER 35 N -2.67 0.00 -2.73 -3.46 7.64 -1.26 -4.04 113.62 107.09 1kl8 n SER 35 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.59 1kl8 n SER 35 Cb 0.37 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 1kl8 n SER 35 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kl8 n ARG 36 N 0.00 3.33 0.00 1.43 3.00 -1.26 -5.07 116.66 118.09 1kl8 n ARG 36 Ca 0.00 -4.71 0.00 0.00 -0.01 0.00 0.00 57.85 53.13 1kl8 n ARG 36 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 30.22 1kl8 n ARG 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kl8 n GLY 37 N -0.35 0.56 3.23 -0.13 0.00 -1.26 -4.44 105.19 102.81 1kl8 n GLY 37 Ca 0.35 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.83 1kl8 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl8 s LYS 38 N 0.00 0.99 0.17 1.61 0.00 -1.26 0.26 119.74 121.50 1kl8 s LYS 38 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 55.97 54.66 1kl8 s LYS 38 Cb 0.00 -0.86 0.21 0.00 0.00 0.00 0.00 37.83 37.17 1kl8 s LYS 38 CO 0.00 0.17 1.06 1.55 0.00 0.00 0.00 175.35 178.13 1kl8 n VAL 39 N 0.60 -0.34 -3.14 1.79 3.14 -1.26 -4.93 118.33 114.19 1kl8 n VAL 39 Ca -0.16 1.59 -0.00 0.00 -2.96 0.00 0.00 64.34 62.81 1kl8 n VAL 39 Cb 0.57 -2.13 -0.00 0.00 -1.06 0.00 0.00 33.84 31.22 1kl8 n VAL 39 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1kl8 n VAL 40 N -5.04 -1.65 -3.66 1.55 0.24 -1.12 -4.94 118.33 103.71 1kl8 n VAL 40 Ca 0.08 0.29 -0.39 0.00 -2.04 0.00 0.00 64.34 62.28 1kl8 n VAL 40 Cb 0.29 -2.81 -0.11 0.00 -1.47 0.00 0.00 33.84 29.74 1kl8 n VAL 40 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1kl8 s GLU 41 N -0.56 2.58 1.02 7.34 2.02 -0.62 -4.88 118.70 125.59 1kl8 s GLU 41 Ca -0.00 -1.38 -0.12 0.00 0.02 0.00 0.00 54.97 53.49 1kl8 s GLU 41 Cb 0.00 -3.66 0.20 0.00 0.10 0.00 0.00 34.13 30.77 1kl8 s GLU 41 CO 0.01 -0.86 1.08 -0.51 0.02 0.00 0.00 175.26 175.00 1kl8 s LEU 42 N 1.40 1.54 0.00 1.80 2.01 -1.22 -2.41 118.68 121.80 1kl8 s LEU 42 Ca 0.02 1.36 0.00 0.00 0.01 0.00 0.00 54.13 55.52 1kl8 s LEU 42 Cb -0.22 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.47 1kl8 s LEU 42 CO 0.02 -3.34 0.00 0.61 1.01 0.00 0.00 176.35 174.65 1kl8 n GLY 43 N -0.55 3.71 3.80 -3.19 0.00 -1.14 -4.43 105.19 103.38 1kl8 n GLY 43 Ca 0.05 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1kl8 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl8 s ALA 45 N -1.77 1.12 -0.11 0.00 0.00 0.40 -4.84 121.76 116.55 1kl8 s ALA 45 Ca 0.53 -1.61 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1kl8 s ALA 45 Cb -0.16 1.05 -0.14 0.00 0.00 0.00 0.00 23.12 23.87 1kl8 s ALA 45 CO 0.20 -0.51 0.03 0.00 0.00 0.00 0.00 175.76 175.49 1kl8 n ALA 46 N -0.21 1.72 -2.64 0.00 0.00 -1.26 -0.53 120.51 117.58 1kl8 n ALA 46 Ca -0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 53.44 52.42 1kl8 n ALA 46 Cb 0.65 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 1kl8 n ALA 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1kl8 s THR 47 N -2.28 3.48 -0.40 0.00 -4.23 -1.26 -4.88 115.64 106.08 1kl8 s THR 47 Ca -0.06 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1kl8 s THR 47 Cb 0.03 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.24 1kl8 s THR 47 CO 0.46 -0.24 0.34 0.00 -0.54 0.00 0.00 174.62 174.65 1kl8 n PRO 49 N 3.23 -1.71 -3.42 0.00 -0.04 -1.26 -5.04 135.00 126.76 1kl8 n PRO 49 Ca 0.24 -1.29 0.02 0.00 -0.04 0.00 0.00 63.50 62.42 1kl8 n PRO 49 Cb 0.46 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.84 1kl8 n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1kl8 s SER 50 N -3.90 -0.34 -0.32 3.54 0.15 -1.26 -4.90 113.70 106.68 1kl8 s SER 50 Ca 0.50 0.49 0.03 0.00 0.70 0.00 0.00 55.95 57.66 1kl8 s SER 50 Cb -0.03 1.32 0.32 0.00 -1.71 0.00 0.00 66.02 65.92 1kl8 s SER 50 CO 0.37 -0.07 1.40 2.29 1.20 0.00 0.00 173.24 178.43 1kl8 n LYS 51 N 4.35 0.10 -3.20 5.44 2.85 -1.26 -5.06 118.16 121.38 1kl8 n LYS 51 Ca -0.11 -0.64 -0.06 0.00 -1.05 0.00 0.00 58.31 56.45 1kl8 n LYS 51 Cb 0.55 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1kl8 n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1kl8 n LYS 52 N 0.64 -1.45 -0.37 -1.58 4.01 -1.26 -4.90 118.16 113.25 1kl8 n LYS 52 Ca -0.06 1.40 0.01 0.00 -0.51 0.00 0.00 58.31 59.15 1kl8 n LYS 52 Cb 0.76 -5.02 0.15 0.00 -0.51 0.00 0.00 35.03 30.40 1kl8 n LYS 52 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1kl8 h PRO 53 N 0.45 1.21 -0.70 1.97 0.13 -1.99 -3.47 132.00 129.59 1kl8 h PRO 53 Ca -0.13 -0.07 -0.30 0.00 -0.87 0.00 0.00 66.00 64.62 1kl8 h PRO 53 Cb 1.09 -0.27 -0.12 0.00 0.13 0.00 0.00 31.00 31.82 1kl8 h PRO 53 CO 0.31 0.80 -0.27 0.66 -0.23 0.00 0.00 178.00 179.26 1kl8 n TYR 54 N -4.46 0.00 0.00 1.56 4.01 -1.26 -4.33 117.16 112.68 1kl8 n TYR 54 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1kl8 n TYR 54 Cb 0.12 -2.87 0.00 0.00 -0.31 0.00 0.00 39.34 36.27 1kl8 n TYR 54 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1kl8 n GLU 55 N -1.83 0.00 0.00 -0.72 2.13 -1.26 -5.04 120.64 113.91 1kl8 n GLU 55 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1kl8 n GLU 55 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1kl8 n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1kl8 n GLU 56 N 0.04 0.00 -3.86 5.31 2.13 -1.25 -5.03 120.64 117.98 1kl8 n GLU 56 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 1kl8 n GLU 56 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1kl8 n GLU 56 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1kl8 s VAL 57 N -1.30 3.35 0.54 6.31 1.01 -1.26 -3.25 120.40 125.79 1kl8 s VAL 57 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1kl8 s VAL 57 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1kl8 s VAL 57 CO 0.00 0.03 0.74 -0.89 0.00 0.00 0.00 175.10 174.98 1kl8 s THR 58 N 1.37 2.48 0.07 3.92 2.01 -0.90 -4.86 115.64 119.73 1kl8 s THR 58 Ca -0.01 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 1kl8 s THR 58 Cb -0.18 -2.56 0.09 0.00 0.01 0.00 0.00 72.50 69.86 1kl8 s THR 58 CO -0.01 0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.10 1kl8 n SER 61 N 4.65 3.42 -0.53 0.00 7.64 -1.26 -2.83 113.62 124.70 1kl8 n SER 61 Ca -0.18 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1kl8 n SER 61 Cb 0.52 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1kl8 n SER 61 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1kl8 n THR 62 N 6.19 0.00 0.00 0.44 -1.04 -1.26 -4.98 114.28 113.62 1kl8 n THR 62 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1kl8 n THR 62 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1kl8 n THR 62 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1kl8 n ASP 63 N -0.36 0.00 -3.92 8.00 5.75 -1.26 -4.06 116.55 120.71 1kl8 n ASP 63 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 1kl8 n ASP 63 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1kl8 n ASP 63 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1kl8 n LYS 64 N 0.00 0.03 0.00 0.11 2.85 -1.07 -4.18 118.16 115.91 1kl8 n LYS 64 Ca 0.00 -1.16 0.09 0.00 -1.05 0.00 0.00 58.31 56.19 1kl8 n LYS 64 Cb 0.00 -2.88 0.03 0.00 -0.65 0.00 0.00 35.03 31.53 1kl8 n LYS 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1kl8 n ASN 66 N 0.34 3.74 -4.53 0.00 6.94 -1.26 -4.84 115.26 115.65 1kl8 n ASN 66 Ca 0.09 -2.40 -0.34 0.00 -0.02 0.00 0.00 54.58 51.91 1kl8 n ASN 66 Cb 0.40 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 37.21 1kl8 n ASN 66 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1kl8 n PRO 67 N 0.68 0.52 0.09 -0.53 -0.02 -1.26 -4.87 135.00 129.62 1kl8 n PRO 67 Ca 0.19 -0.11 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 1kl8 n PRO 67 Cb 0.73 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1kl8 n PRO 67 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1kl8 h HIS 68 N 15.34 -0.19 0.00 6.00 2.76 -1.99 -3.32 115.15 133.76 1kl8 h HIS 68 Ca -0.12 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1kl8 h HIS 68 Cb 1.24 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.26 1kl8 h HIS 68 CO 1.07 0.04 0.00 -0.35 -1.30 0.00 0.00 177.93 177.39 1kl8 n PRO 69 N -5.09 0.00 -3.00 5.26 -0.04 -1.26 -4.88 135.00 125.99 1kl8 n PRO 69 Ca -0.09 0.59 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 1kl8 n PRO 69 Cb 0.17 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1kl8 n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1kl8 n LYS 70 N -1.99 -2.71 -3.39 0.54 3.00 -1.25 -4.92 118.16 107.44 1kl8 n LYS 70 Ca 0.00 0.33 -0.43 0.00 -0.00 0.00 0.00 58.31 58.21 1kl8 n LYS 70 Cb 0.00 -4.94 -0.09 0.00 0.00 0.00 0.00 35.03 30.00 1kl8 n LYS 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1kl8 s GLN 71 N -5.59 3.02 -0.04 1.64 -2.07 -1.26 -5.04 119.66 110.32 1kl8 s GLN 71 Ca 0.23 -0.98 0.01 0.00 -1.82 0.00 0.00 55.36 52.79 1kl8 s GLN 71 Cb -0.12 -4.01 0.02 0.00 -1.09 0.00 0.00 33.01 27.81 1kl8 s GLN 71 CO 0.28 -0.85 -0.04 0.50 -1.32 0.00 0.00 175.29 173.86 1kl8 s ARG 72 N 1.87 0.77 0.59 9.60 3.52 -1.26 -5.17 118.95 128.87 1kl8 s ARG 72 Ca 0.08 -0.08 -0.10 0.00 -0.13 0.00 0.00 55.73 55.50 1kl8 s ARG 72 Cb -0.19 -0.81 0.15 0.00 -1.56 0.00 0.00 34.95 32.53 1kl8 s ARG 72 CO 0.11 -0.10 0.48 -0.35 -0.81 0.00 0.00 175.30 174.62 1kl8 n PRO 73 N 4.12 -2.33 0.00 5.12 -0.04 -1.26 -5.33 135.00 135.28 1kl8 n PRO 73 Ca -0.24 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 1kl8 n PRO 73 Cb 0.51 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 33.19 1kl8 n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87