#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl3 h GLY 16 N 0.00 0.00 1.44 0.00 0.00 -2.04 -3.35 103.07 99.12 1kl3 h GLY 16 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1kl3 h GLY 16 CO 0.00 0.00 -1.38 -2.22 0.00 0.00 0.00 176.54 172.94 1kl3 h ILE 17 N 0.00 1.34 -3.37 2.60 2.04 -1.98 -3.46 117.51 114.67 1kl3 h ILE 17 Ca -0.00 -2.93 -0.53 0.00 1.00 0.00 0.00 64.86 62.40 1kl3 h ILE 17 Cb 0.98 2.87 0.08 0.00 -0.74 0.00 0.00 36.82 40.01 1kl3 h ILE 17 CO 0.06 0.85 0.85 -0.89 0.00 0.00 0.00 178.15 179.03 1kl3 s THR 18 N -2.64 2.19 -5.00 -0.27 2.01 -1.26 -4.77 115.64 105.91 1kl3 s THR 18 Ca -0.06 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1kl3 s THR 18 Cb 0.07 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1kl3 s THR 18 CO 0.87 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.44 1kl3 n GLY 19 N 2.08 0.58 3.44 4.40 0.00 -0.43 -4.71 105.19 110.55 1kl3 n GLY 19 Ca 0.07 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 1kl3 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl3 s THR 20 N -3.76 2.98 0.03 2.61 2.01 -1.26 -1.45 115.64 116.80 1kl3 s THR 20 Ca 0.00 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1kl3 s THR 20 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1kl3 s THR 20 CO 0.00 0.57 -0.12 0.26 -0.69 0.00 0.00 174.62 174.64 1kl3 s TRP 21 N -0.46 1.07 -0.01 4.92 0.52 -0.04 -4.60 118.94 120.35 1kl3 s TRP 21 Ca 0.06 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.89 1kl3 s TRP 21 Cb -0.12 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.55 1kl3 s TRP 21 CO 0.02 0.01 -0.17 0.71 0.02 0.00 0.00 176.95 177.54 1kl3 s TYR 22 N -0.82 1.54 0.61 -1.98 1.51 0.12 -0.98 117.35 117.35 1kl3 s TYR 22 Ca 0.00 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1kl3 s TYR 22 Cb -0.07 -0.99 0.11 0.00 -0.11 0.00 0.00 41.96 40.90 1kl3 s TYR 22 CO 0.01 -0.02 0.84 0.27 -1.11 0.00 0.00 175.55 175.54 1kl3 n ASN 23 N 2.60 1.94 0.14 2.29 6.94 -0.98 -0.93 115.26 127.25 1kl3 n ASN 23 Ca -0.15 -2.45 0.12 0.00 -0.02 0.00 0.00 54.58 52.09 1kl3 n ASN 23 Cb 0.54 -0.47 0.20 0.00 -2.36 0.00 0.00 39.78 37.69 1kl3 n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1kl3 h GLN 24 N 0.00 0.00 -0.01 -3.83 -0.00 -1.90 -3.18 115.11 106.20 1kl3 h GLN 24 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1kl3 h GLN 24 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 1kl3 h GLN 24 CO 0.38 0.00 -0.07 1.28 -0.00 0.00 0.00 178.83 180.42 1kl3 n LEU 25 N -2.61 0.65 0.00 0.06 4.77 -1.26 -4.91 117.00 113.70 1kl3 n LEU 25 Ca 0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1kl3 n LEU 25 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1kl3 n LEU 25 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1kl3 n GLY 26 N 1.19 0.79 3.91 -0.72 0.00 -1.20 -4.85 105.19 104.31 1kl3 n GLY 26 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1kl3 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl3 s SER 27 N -1.68 6.13 0.03 1.61 0.01 -1.26 -4.29 113.70 114.25 1kl3 s SER 27 Ca 0.00 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.19 1kl3 s SER 27 Cb 0.00 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1kl3 s SER 27 CO 0.00 -0.68 -0.11 -0.89 0.41 0.00 0.00 173.24 171.98 1kl3 s THR 28 N -2.80 0.82 -0.07 1.44 2.01 -0.33 -2.32 115.64 114.39 1kl3 s THR 28 Ca 0.49 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1kl3 s THR 28 Cb -0.10 -0.77 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1kl3 s THR 28 CO 0.45 -0.09 -0.09 0.12 -0.69 0.00 0.00 174.62 174.32 1kl3 s PHE 29 N -0.88 1.23 -0.14 4.92 5.36 -0.16 -1.18 117.98 127.13 1kl3 s PHE 29 Ca -0.02 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1kl3 s PHE 29 Cb -0.07 -0.97 0.00 0.00 -0.34 0.00 0.00 43.02 41.63 1kl3 s PHE 29 CO 0.01 -0.29 -0.18 0.42 -1.46 0.00 0.00 175.22 173.72 1kl3 s ILE 30 N 0.95 2.46 0.01 3.12 1.01 0.50 -0.86 121.20 128.40 1kl3 s ILE 30 Ca -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1kl3 s ILE 30 Cb -0.15 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1kl3 s ILE 30 CO 0.00 0.53 0.01 0.54 0.00 0.00 0.00 174.94 176.03 1kl3 s VAL 31 N 0.73 0.07 -0.14 2.92 0.11 -0.53 -1.31 120.40 122.25 1kl3 s VAL 31 Ca -0.08 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1kl3 s VAL 31 Cb -0.16 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1kl3 s VAL 31 CO 0.01 -0.32 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.42 1kl3 s THR 32 N -0.98 2.82 -0.44 5.04 2.01 0.32 -1.31 115.64 123.09 1kl3 s THR 32 Ca -0.11 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 1kl3 s THR 32 Cb -0.07 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.30 1kl3 s THR 32 CO -0.00 0.52 0.52 0.00 -0.69 0.00 0.00 174.62 174.97 1kl3 s ALA 33 N 0.51 3.41 0.49 7.40 0.00 -1.26 -2.40 121.76 129.90 1kl3 s ALA 33 Ca -0.10 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.16 1kl3 s ALA 33 Cb -0.16 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1kl3 s ALA 33 CO 0.04 -1.72 1.00 0.20 0.00 0.00 0.00 175.76 175.28 1kl3 s GLY 34 N 2.04 2.32 0.43 0.00 0.00 0.01 -4.85 107.32 107.28 1kl3 s GLY 34 Ca 0.15 0.41 0.30 0.00 0.00 0.00 0.00 44.72 45.58 1kl3 s GLY 34 CO 0.14 0.71 1.90 0.00 0.00 0.00 0.00 173.10 175.86 1kl3 h ALA 35 N 1.39 1.00 -0.55 3.20 0.00 -1.98 -1.65 119.26 120.67 1kl3 h ALA 35 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1kl3 h ALA 35 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1kl3 h ALA 35 CO 0.60 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1kl3 n ASP 36 N -2.61 3.14 0.00 0.00 5.75 -1.26 -4.93 116.55 116.65 1kl3 n ASP 36 Ca -0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1kl3 n ASP 36 Cb 0.15 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1kl3 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kl3 n GLY 37 N 1.44 0.36 3.76 6.12 0.00 -0.62 -4.97 105.19 111.28 1kl3 n GLY 37 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1kl3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl3 s ALA 38 N -2.00 3.31 -0.14 4.61 0.00 -1.26 -1.25 121.76 125.04 1kl3 s ALA 38 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1kl3 s ALA 38 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1kl3 s ALA 38 CO 0.00 0.11 -0.11 -0.51 0.00 0.00 0.00 175.76 175.25 1kl3 s LEU 39 N -1.49 2.82 0.01 0.00 1.43 -0.40 -0.81 118.68 120.25 1kl3 s LEU 39 Ca 0.44 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1kl3 s LEU 39 Cb -0.25 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1kl3 s LEU 39 CO 0.32 0.15 -0.04 0.42 0.23 0.00 0.00 176.35 177.43 1kl3 s THR 40 N 0.46 0.23 -2.20 5.49 -4.23 -1.01 -0.86 115.64 113.52 1kl3 s THR 40 Ca -0.08 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1kl3 s THR 40 Cb -0.15 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.40 1kl3 s THR 40 CO 0.04 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1kl3 n GLY 41 N 2.24 -0.67 2.86 3.99 0.00 -0.97 -0.53 105.19 112.11 1kl3 n GLY 41 Ca -0.18 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1kl3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl3 s THR 42 N -4.00 0.08 -0.19 2.61 2.01 -0.43 -1.65 115.64 114.07 1kl3 s THR 42 Ca 0.00 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1kl3 s THR 42 Cb 0.00 -0.11 -0.01 0.00 0.01 0.00 0.00 72.50 72.39 1kl3 s THR 42 CO 0.00 0.05 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.42 1kl3 s TYR 43 N 0.26 2.90 -0.20 4.92 6.14 0.18 -0.37 117.35 131.17 1kl3 s TYR 43 Ca -0.02 -0.92 -0.02 0.00 0.64 0.00 0.00 57.07 56.75 1kl3 s TYR 43 Cb -0.04 -2.00 0.00 0.00 0.42 0.00 0.00 41.96 40.34 1kl3 s TYR 43 CO -0.01 -0.46 -0.11 0.08 0.64 0.00 0.00 175.55 175.69 1kl3 s VAL 44 N 1.09 2.85 1.18 3.14 1.01 -0.33 -1.14 120.40 128.20 1kl3 s VAL 44 Ca 0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1kl3 s VAL 44 Cb -0.15 -2.27 0.27 0.00 0.00 0.00 0.00 36.38 34.24 1kl3 s VAL 44 CO -0.02 0.47 1.07 0.42 0.00 0.00 0.00 175.10 177.04 1kl3 s THR 45 N 1.39 1.71 0.50 3.92 -4.23 -0.65 -1.19 115.64 117.09 1kl3 s THR 45 Ca 0.05 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1kl3 s THR 45 Cb -0.14 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.67 1kl3 s THR 45 CO -0.07 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.04 1kl3 h ALA 46 N -2.53 2.24 0.00 3.99 0.00 -1.89 -2.26 119.26 118.81 1kl3 h ALA 46 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1kl3 h ALA 46 Cb 1.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1kl3 h ALA 46 CO 0.42 -0.34 -0.11 -0.09 0.00 0.00 0.00 179.25 179.13 1kl3 h ARG 47 N 0.12 0.00 0.00 0.00 2.43 -1.91 -3.46 114.38 111.56 1kl3 h ARG 47 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1kl3 h ARG 47 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1kl3 h ARG 47 CO -0.02 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 1kl3 n GLY 48 N -0.68 0.35 3.84 2.80 0.00 -0.85 -5.01 105.19 105.63 1kl3 n GLY 48 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1kl3 n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kl3 s ASN 49 N -2.21 5.10 0.43 1.61 3.04 -1.26 -4.93 114.94 116.72 1kl3 s ASN 49 Ca 0.00 1.30 0.16 0.00 0.04 0.00 0.00 52.86 54.36 1kl3 s ASN 49 Cb 0.00 -2.11 0.97 0.00 -1.54 0.00 0.00 41.25 38.57 1kl3 s ASN 49 CO 0.00 -1.58 1.95 0.00 -3.04 0.00 0.00 177.10 174.42 1kl3 h ALA 50 N -0.82 1.53 0.00 1.71 0.00 -1.98 -0.73 119.26 118.97 1kl3 h ALA 50 Ca -0.46 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1kl3 h ALA 50 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kl3 h ALA 50 CO 0.61 0.30 0.00 0.39 0.00 0.00 0.00 179.25 180.54 1kl3 n GLU 51 N -4.14 0.87 -0.12 0.00 4.71 -1.26 -3.06 120.64 117.63 1kl3 n GLU 51 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.17 1kl3 n GLU 51 Cb 0.30 -1.29 0.11 0.00 -1.01 0.00 0.00 31.44 29.55 1kl3 n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1kl3 n SER 52 N -0.79 2.59 -4.73 1.62 7.64 -0.28 -4.82 113.62 114.85 1kl3 n SER 52 Ca 0.12 -1.89 -0.35 0.00 1.01 0.00 0.00 58.87 57.75 1kl3 n SER 52 Cb 0.06 -0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.01 1kl3 n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1kl3 s ARG 53 N -0.96 3.33 0.01 1.43 0.52 -1.17 -1.63 118.95 120.47 1kl3 s ARG 53 Ca 0.18 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.06 1kl3 s ARG 53 Cb 0.09 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 1kl3 s ARG 53 CO 0.13 0.63 0.00 0.71 0.02 0.00 0.00 175.30 176.79 1kl3 s TYR 54 N -0.65 0.13 0.34 -0.53 1.51 -0.29 -4.82 117.35 113.03 1kl3 s TYR 54 Ca 0.11 -0.26 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 1kl3 s TYR 54 Cb -0.12 -0.10 -0.09 0.00 -0.11 0.00 0.00 41.96 41.54 1kl3 s TYR 54 CO 0.02 -0.12 1.17 0.08 -1.11 0.00 0.00 175.55 175.59 1kl3 s VAL 55 N -0.84 3.21 0.08 0.71 1.01 -1.26 -0.65 120.40 122.65 1kl3 s VAL 55 Ca -0.09 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.08 1kl3 s VAL 55 Cb -0.06 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1kl3 s VAL 55 CO -0.00 0.21 -0.16 -1.48 0.00 0.00 0.00 175.10 173.66 1kl3 s LEU 56 N -1.94 2.28 -0.00 3.92 0.05 -0.66 -4.31 118.68 118.02 1kl3 s LEU 56 Ca 0.50 -0.63 -0.04 0.00 0.05 0.00 0.00 54.13 54.01 1kl3 s LEU 56 Cb -0.33 -0.62 -0.00 0.00 -2.05 0.00 0.00 46.19 43.19 1kl3 s LEU 56 CO 0.42 -0.04 0.08 0.28 -0.55 0.00 0.00 176.35 176.55 1kl3 s THR 57 N -1.23 0.07 0.00 5.48 -1.32 -1.05 -2.30 115.64 115.29 1kl3 s THR 57 Ca 0.00 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 1kl3 s THR 57 Cb -0.10 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1kl3 s THR 57 CO 0.03 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1kl3 n GLY 58 N 1.92 2.22 3.11 6.08 0.00 -0.04 -1.18 105.19 117.30 1kl3 n GLY 58 Ca -0.20 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1kl3 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kl3 s ARG 59 N 0.46 0.58 0.12 1.61 1.81 -0.72 -1.28 118.95 121.53 1kl3 s ARG 59 Ca 0.00 -0.79 -0.11 0.00 -1.72 0.00 0.00 55.73 53.11 1kl3 s ARG 59 Cb 0.00 0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.73 1kl3 s ARG 59 CO 0.00 -0.14 0.27 1.52 -0.68 0.00 0.00 175.30 176.27 1kl3 s TYR 60 N -2.70 0.11 -0.39 -0.53 1.13 -0.38 -1.76 117.35 112.84 1kl3 s TYR 60 Ca -0.04 -0.50 -0.29 0.00 -1.41 0.00 0.00 57.07 54.83 1kl3 s TYR 60 Cb -0.01 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 1kl3 s TYR 60 CO -0.05 -0.64 1.25 0.34 -2.51 0.00 0.00 175.55 173.94 1kl3 s ASP 61 N -2.87 6.60 0.00 -0.18 2.15 -0.49 -4.63 116.67 117.25 1kl3 s ASP 61 Ca 0.07 0.85 0.23 0.00 0.43 0.00 0.00 52.55 54.14 1kl3 s ASP 61 Cb 0.04 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.19 1kl3 s ASP 61 CO -0.08 -1.20 1.73 -1.54 -0.17 0.00 0.00 175.17 173.90 1kl3 n SER 62 N 7.92 0.88 -3.19 -0.34 3.41 -1.26 -4.03 113.62 117.01 1kl3 n SER 62 Ca 0.14 -1.48 -0.22 0.00 -0.26 0.00 0.00 58.87 57.04 1kl3 n SER 62 Cb 0.48 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1kl3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kl3 n ALA 63 N -0.24 2.67 -1.55 7.33 0.00 -1.26 -5.01 120.51 122.45 1kl3 n ALA 63 Ca 0.17 -3.68 -0.29 0.00 0.00 0.00 0.00 53.44 49.64 1kl3 n ALA 63 Cb 0.22 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 18.93 1kl3 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kl3 s PRO 64 N -2.03 1.56 0.72 0.00 0.04 -1.26 -4.98 135.00 129.05 1kl3 s PRO 64 Ca 0.39 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 1kl3 s PRO 64 Cb 0.25 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.95 1kl3 s PRO 64 CO -0.09 -1.94 1.19 0.00 0.04 0.00 0.00 177.00 176.20 1kl3 s ALA 65 N -3.23 2.16 -0.31 8.56 0.00 -1.26 -4.95 121.76 122.73 1kl3 s ALA 65 Ca 0.62 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.52 1kl3 s ALA 65 Cb -0.15 -3.45 0.60 0.00 0.00 0.00 0.00 23.12 20.12 1kl3 s ALA 65 CO 0.54 -1.80 1.62 0.25 0.00 0.00 0.00 175.76 176.37 1kl3 n THR 66 N -2.67 2.71 -0.43 0.00 -2.24 -1.26 -4.63 114.28 105.76 1kl3 n THR 66 Ca 0.13 -2.18 0.06 0.00 -2.27 0.00 0.00 64.05 59.79 1kl3 n THR 66 Cb 0.50 -0.34 0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1kl3 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kl3 n ASP 67 N -0.80 3.04 0.00 3.42 5.75 -1.26 -4.92 116.55 121.78 1kl3 n ASP 67 Ca 0.38 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1kl3 n ASP 67 Cb 1.21 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1kl3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kl3 n GLY 68 N -0.00 0.46 3.78 6.12 0.00 -1.26 -5.07 105.19 109.21 1kl3 n GLY 68 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1kl3 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl3 s SER 69 N -2.04 5.95 1.11 1.61 0.01 -1.26 -5.01 113.70 114.07 1kl3 s SER 69 Ca 0.00 2.15 -0.15 0.00 1.31 0.00 0.00 55.95 59.26 1kl3 s SER 69 Cb 0.00 -2.58 0.24 0.00 0.21 0.00 0.00 66.02 63.89 1kl3 s SER 69 CO 0.00 -1.06 1.08 -0.83 0.41 0.00 0.00 173.24 172.84 1kl3 s GLY 70 N -1.72 1.55 -0.32 3.44 0.00 -1.26 -4.82 107.32 104.19 1kl3 s GLY 70 Ca 0.70 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 1kl3 s GLY 70 CO 0.27 0.19 0.10 -1.59 0.00 0.00 0.00 173.10 172.08 1kl3 s THR 71 N -2.87 3.98 0.43 0.90 2.01 -0.18 -4.74 115.64 115.16 1kl3 s THR 71 Ca 0.68 -0.85 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 1kl3 s THR 71 Cb -0.17 -3.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 1kl3 s THR 71 CO 0.58 -0.04 1.32 0.00 -0.69 0.00 0.00 174.62 175.80 1kl3 s ALA 72 N 1.48 3.20 0.15 7.40 0.00 -1.26 -0.76 121.76 131.96 1kl3 s ALA 72 Ca 0.01 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 1kl3 s ALA 72 Cb -0.18 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.50 1kl3 s ALA 72 CO 0.03 -0.93 0.71 -0.48 0.00 0.00 0.00 175.76 175.09 1kl3 s LEU 73 N -2.63 -0.44 0.16 0.00 0.05 -0.63 -1.39 118.68 113.81 1kl3 s LEU 73 Ca 0.59 -0.14 -0.22 0.00 0.05 0.00 0.00 54.13 54.41 1kl3 s LEU 73 Cb -0.39 2.46 0.06 0.00 -2.05 0.00 0.00 46.19 46.28 1kl3 s LEU 73 CO 0.49 -0.96 0.59 -0.83 -0.55 0.00 0.00 176.35 175.10 1kl3 s GLY 74 N -2.74 -0.56 0.17 -3.48 0.00 -0.72 -1.72 107.32 98.27 1kl3 s GLY 74 Ca 0.04 0.40 -0.17 0.00 0.00 0.00 0.00 44.72 45.00 1kl3 s GLY 74 CO -0.07 0.11 0.46 0.66 0.00 0.00 0.00 173.10 174.26 1kl3 s TRP 75 N -3.76 -0.13 0.00 1.90 -2.14 -0.56 -1.76 118.94 112.49 1kl3 s TRP 75 Ca 0.02 -0.20 0.05 0.00 2.66 0.00 0.00 56.10 58.63 1kl3 s TRP 75 Cb -0.01 0.32 -0.01 0.00 -3.10 0.00 0.00 33.47 30.66 1kl3 s TRP 75 CO -0.12 -0.82 -0.16 0.99 -2.66 0.00 0.00 176.95 174.18 1kl3 s THR 76 N -3.85 1.25 -0.12 0.66 2.01 -0.33 -0.97 115.64 114.29 1kl3 s THR 76 Ca 0.07 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1kl3 s THR 76 Cb 0.00 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1kl3 s THR 76 CO -0.06 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.24 1kl3 s VAL 77 N -0.47 1.99 -0.16 3.82 1.01 -0.56 -2.52 120.40 123.51 1kl3 s VAL 77 Ca 0.05 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1kl3 s VAL 77 Cb -0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1kl3 s VAL 77 CO -0.00 0.54 0.15 0.00 0.00 0.00 0.00 175.10 175.79 1kl3 s ALA 78 N 0.62 3.78 -1.25 5.51 0.00 -1.26 -1.43 121.76 127.74 1kl3 s ALA 78 Ca -0.12 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 1kl3 s ALA 78 Cb -0.17 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1kl3 s ALA 78 CO 0.03 0.39 2.65 0.91 0.00 0.00 0.00 175.76 179.74 1kl3 n TRP 79 N 2.74 2.31 -4.27 0.00 7.02 -0.09 -4.76 117.44 120.38 1kl3 n TRP 79 Ca -0.18 -2.74 -0.20 0.00 -1.02 0.00 0.00 57.50 53.36 1kl3 n TRP 79 Cb 0.53 -1.96 -0.16 0.00 -2.42 0.00 0.00 31.31 27.30 1kl3 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1kl3 s LYS 80 N -0.18 0.94 0.00 -0.99 2.20 -1.26 -0.76 119.74 119.69 1kl3 s LYS 80 Ca 0.60 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1kl3 s LYS 80 Cb 0.21 -0.89 0.00 0.00 -1.51 0.00 0.00 37.83 35.64 1kl3 s LYS 80 CO -0.09 -0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.15 1kl3 n ASN 81 N 3.78 0.61 0.00 1.43 0.23 -0.49 -4.78 115.26 116.04 1kl3 n ASN 81 Ca -0.23 -0.74 0.12 0.00 -0.53 0.00 0.00 54.58 53.20 1kl3 n ASN 81 Cb 0.52 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.87 1kl3 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1kl3 n ASN 82 N -1.77 0.00 -0.04 0.53 3.02 -1.26 -3.83 115.26 111.91 1kl3 n ASN 82 Ca 0.00 -0.17 -0.04 0.00 -0.03 0.00 0.00 54.58 54.34 1kl3 n ASN 82 Cb 0.00 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1kl3 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kl3 n TYR 83 N -1.25 0.00 -3.96 3.10 4.01 -1.26 -5.08 117.16 112.72 1kl3 n TYR 83 Ca 0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1kl3 n TYR 83 Cb 0.18 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.84 1kl3 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1kl3 s ARG 84 N -2.16 1.27 -0.16 -0.72 1.70 -1.25 -5.14 118.95 112.50 1kl3 s ARG 84 Ca -0.07 -1.18 -0.04 0.00 -0.47 0.00 0.00 55.73 53.97 1kl3 s ARG 84 Cb 0.02 0.41 0.08 0.00 -0.57 0.00 0.00 34.95 34.89 1kl3 s ARG 84 CO 0.22 -0.49 0.23 1.21 -1.08 0.00 0.00 175.30 175.39 1kl3 s ASN 85 N -2.98 0.93 0.00 -2.89 3.84 -1.26 -1.39 114.94 111.18 1kl3 s ASN 85 Ca 0.19 0.13 0.15 0.00 0.21 0.00 0.00 52.86 53.54 1kl3 s ASN 85 Cb 0.02 0.48 0.44 0.00 -0.55 0.00 0.00 41.25 41.63 1kl3 s ASN 85 CO 0.02 -0.29 1.36 0.00 -2.79 0.00 0.00 177.10 175.41 1kl3 n ALA 86 N 5.33 2.42 -3.93 1.71 0.00 0.06 -4.99 120.51 121.12 1kl3 n ALA 86 Ca -0.05 -0.84 -0.36 0.00 0.00 0.00 0.00 53.44 52.18 1kl3 n ALA 86 Cb 0.50 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1kl3 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kl3 n HIS 87 N 0.91 -1.62 -3.61 0.00 8.25 -1.26 -4.87 115.22 113.02 1kl3 n HIS 87 Ca 0.16 0.37 -0.10 0.00 -0.26 0.00 0.00 57.72 57.90 1kl3 n HIS 87 Cb 0.41 -3.19 -0.02 0.00 1.12 0.00 0.00 29.99 28.31 1kl3 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kl3 s SER 88 N -3.73 -0.43 -0.05 0.41 1.04 -1.26 -1.38 113.70 108.30 1kl3 s SER 88 Ca 0.36 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1kl3 s SER 88 Cb -0.16 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.63 1kl3 s SER 88 CO 0.92 -1.13 0.14 0.00 0.98 0.00 0.00 173.24 174.14 1kl3 s ALA 89 N -3.81 -0.32 -0.08 5.32 0.00 -0.17 -0.92 121.76 121.78 1kl3 s ALA 89 Ca 0.05 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1kl3 s ALA 89 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1kl3 s ALA 89 CO -0.04 -0.08 -0.11 0.99 0.00 0.00 0.00 175.76 176.52 1kl3 s THR 90 N 0.30 3.31 -0.08 0.00 2.01 -0.51 -1.07 115.64 119.61 1kl3 s THR 90 Ca -0.02 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1kl3 s THR 90 Cb -0.03 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1kl3 s THR 90 CO -0.01 0.57 -0.15 0.42 -0.69 0.00 0.00 174.62 174.76 1kl3 s THR 91 N -0.42 3.00 -0.12 -0.82 -4.23 -0.17 -1.50 115.64 111.38 1kl3 s THR 91 Ca 0.05 -0.72 -0.03 0.00 -1.18 0.00 0.00 61.69 59.80 1kl3 s THR 91 Cb -0.12 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1kl3 s THR 91 CO 0.02 0.57 0.01 0.26 -0.54 0.00 0.00 174.62 174.94 1kl3 s TRP 92 N -0.33 3.16 -0.10 3.99 0.51 -0.14 -1.25 118.94 124.78 1kl3 s TRP 92 Ca 0.03 0.07 0.02 0.00 -2.12 0.00 0.00 56.10 54.10 1kl3 s TRP 92 Cb -0.13 -1.88 0.01 0.00 -0.81 0.00 0.00 33.47 30.67 1kl3 s TRP 92 CO 0.02 0.31 -0.15 0.45 -0.51 0.00 0.00 176.95 177.08 1kl3 s SER 93 N -0.39 2.37 0.00 2.95 0.15 -0.23 -1.50 113.70 117.06 1kl3 s SER 93 Ca 0.08 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1kl3 s SER 93 Cb -0.12 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1kl3 s SER 93 CO 0.02 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1kl3 n GLY 94 N 4.20 1.31 2.97 9.45 0.00 -0.70 -1.33 105.19 121.10 1kl3 n GLY 94 Ca -0.19 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 1kl3 n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kl3 s GLN 95 N 1.01 0.21 -0.03 1.61 -0.21 -0.63 -1.60 119.66 120.02 1kl3 s GLN 95 Ca 0.00 -0.25 -0.21 0.00 0.02 0.00 0.00 55.36 54.92 1kl3 s GLN 95 Cb 0.00 0.08 -0.05 0.00 1.00 0.00 0.00 33.01 34.04 1kl3 s GLN 95 CO 0.00 -0.04 0.61 -0.47 -2.12 0.00 0.00 175.29 173.27 1kl3 s TYR 96 N -0.72 3.65 -0.17 0.91 5.04 0.06 -1.39 117.35 124.73 1kl3 s TYR 96 Ca -0.08 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.74 1kl3 s TYR 96 Cb -0.05 -2.65 0.03 0.00 0.35 0.00 0.00 41.96 39.64 1kl3 s TYR 96 CO -0.00 0.28 -0.13 0.08 -1.34 0.00 0.00 175.55 174.44 1kl3 s VAL 97 N 0.09 1.60 0.25 3.14 1.01 -0.36 -1.01 120.40 125.12 1kl3 s VAL 97 Ca 0.32 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1kl3 s VAL 97 Cb -0.18 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.67 1kl3 s VAL 97 CO 0.17 0.34 0.34 0.61 0.00 0.00 0.00 175.10 176.56 1kl3 n GLY 98 N 4.74 1.05 0.00 4.51 0.00 -1.26 -1.40 105.19 112.82 1kl3 n GLY 98 Ca -0.16 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1kl3 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kl3 n GLY 99 N 2.31 0.43 0.21 -0.02 0.00 -1.26 -4.50 105.19 102.35 1kl3 n GLY 99 Ca 0.06 -2.28 0.08 0.00 0.00 0.00 0.00 46.02 43.87 1kl3 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl3 h ALA 100 N 0.00 1.15 -1.35 4.61 0.00 -2.06 -3.03 119.26 118.57 1kl3 h ALA 100 Ca 0.00 -0.26 -0.68 0.00 0.00 0.00 0.00 54.91 53.97 1kl3 h ALA 100 Cb 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 17.40 1kl3 h ALA 100 CO 0.00 0.35 0.14 0.39 0.00 0.00 0.00 179.25 180.13 1kl3 n GLU 101 N -3.64 3.30 -1.73 0.00 -0.58 -1.26 -5.03 120.64 111.69 1kl3 n GLU 101 Ca -0.01 -4.15 -0.40 0.00 -0.42 0.00 0.00 57.16 52.18 1kl3 n GLU 101 Cb 0.40 -2.27 0.03 0.00 -0.57 0.00 0.00 31.44 29.03 1kl3 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kl3 n ALA 102 N -0.45 1.61 -3.08 0.62 0.00 -1.15 -4.95 120.51 113.11 1kl3 n ALA 102 Ca 0.45 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.98 1kl3 n ALA 102 Cb 0.43 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 1kl3 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1kl3 s ARG 103 N -2.52 1.04 -0.20 0.00 0.52 -0.49 -4.07 118.95 113.24 1kl3 s ARG 103 Ca 0.65 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.29 1kl3 s ARG 103 Cb -0.46 0.46 0.03 0.00 0.52 0.00 0.00 34.95 35.51 1kl3 s ARG 103 CO 0.55 -0.40 -0.17 0.42 0.02 0.00 0.00 175.30 175.71 1kl3 s ILE 104 N -3.41 2.07 -0.22 1.52 1.01 0.47 -1.23 121.20 121.40 1kl3 s ILE 104 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1kl3 s ILE 104 Cb 0.01 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1kl3 s ILE 104 CO -0.09 0.39 0.12 0.20 0.00 0.00 0.00 174.94 175.56 1kl3 s ASN 105 N 1.25 5.85 0.18 3.58 0.02 -0.49 -0.85 114.94 124.47 1kl3 s ASN 105 Ca 0.01 0.07 0.04 0.00 -1.02 0.00 0.00 52.86 51.96 1kl3 s ASN 105 Cb -0.15 -2.04 -0.05 0.00 0.02 0.00 0.00 41.25 39.04 1kl3 s ASN 105 CO -0.11 0.09 -0.07 0.42 0.02 0.00 0.00 177.10 177.45 1kl3 s THR 106 N 0.89 1.12 0.02 1.60 -4.23 0.13 -1.60 115.64 113.57 1kl3 s THR 106 Ca 0.06 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1kl3 s THR 106 Cb -0.13 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1kl3 s THR 106 CO 0.03 -0.60 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.19 1kl3 s GLN 107 N -3.79 2.04 0.14 3.99 -0.21 -0.44 -2.36 119.66 119.03 1kl3 s GLN 107 Ca 0.21 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.67 1kl3 s GLN 107 Cb 0.04 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1kl3 s GLN 107 CO 0.03 0.54 -0.14 1.67 -2.12 0.00 0.00 175.29 175.28 1kl3 s TRP 108 N -0.81 1.47 -0.13 0.91 1.48 0.17 -1.07 118.94 120.96 1kl3 s TRP 108 Ca 0.13 -0.57 -0.00 0.00 -1.06 0.00 0.00 56.10 54.60 1kl3 s TRP 108 Cb -0.10 -0.75 0.02 0.00 -1.16 0.00 0.00 33.47 31.48 1kl3 s TRP 108 CO 0.03 0.18 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.48 1kl3 s LEU 109 N -2.63 1.41 -0.26 -4.66 1.43 -0.38 -2.06 118.68 111.53 1kl3 s LEU 109 Ca 0.12 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1kl3 s LEU 109 Cb -0.04 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 1kl3 s LEU 109 CO 0.04 -0.09 0.05 -0.22 0.23 0.00 0.00 176.35 176.36 1kl3 s LEU 110 N 1.58 3.51 -0.11 1.79 0.20 -0.32 -1.00 118.68 124.32 1kl3 s LEU 110 Ca 0.04 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1kl3 s LEU 110 Cb -0.13 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 1kl3 s LEU 110 CO -0.09 -0.10 -0.17 -0.89 -0.29 0.00 0.00 176.35 174.81 1kl3 s THR 111 N 1.53 2.75 0.01 3.68 2.01 -0.23 -0.57 115.64 124.82 1kl3 s THR 111 Ca 0.04 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1kl3 s THR 111 Cb -0.16 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1kl3 s THR 111 CO 0.02 0.54 0.05 -0.44 -0.69 0.00 0.00 174.62 174.10 1kl3 s SER 112 N 0.21 5.43 0.18 3.53 0.01 -0.17 -1.00 113.70 121.90 1kl3 s SER 112 Ca -0.10 0.05 -0.31 0.00 1.31 0.00 0.00 55.95 56.90 1kl3 s SER 112 Cb -0.16 -1.48 -0.09 0.00 0.21 0.00 0.00 66.02 64.50 1kl3 s SER 112 CO 0.06 0.25 1.40 -0.83 0.41 0.00 0.00 173.24 174.53 1kl3 s GLY 113 N -1.80 2.17 0.19 3.44 0.00 -0.48 -4.78 107.32 106.07 1kl3 s GLY 113 Ca 0.23 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1kl3 s GLY 113 CO 0.14 2.27 0.07 -0.51 0.00 0.00 0.00 173.10 175.07 1kl3 s THR 114 N 0.49 0.34 0.82 0.90 -4.23 -1.26 -5.03 115.64 107.67 1kl3 s THR 114 Ca 0.61 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1kl3 s THR 114 Cb -0.39 -2.31 0.09 0.00 1.34 0.00 0.00 72.50 71.23 1kl3 s THR 114 CO 0.36 -0.25 1.12 0.42 -0.54 0.00 0.00 174.62 175.73 1kl3 s THR 115 N -3.90 2.69 0.36 3.99 -4.23 -1.26 -4.88 115.64 108.41 1kl3 s THR 115 Ca 0.31 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1kl3 s THR 115 Cb 0.07 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.17 1kl3 s THR 115 CO 0.07 -0.29 2.00 -0.33 -0.54 0.00 0.00 174.62 175.53 1kl3 h GLU 116 N -1.17 0.74 -0.17 3.99 5.08 -2.01 -1.32 114.58 119.73 1kl3 h GLU 116 Ca -0.48 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 1kl3 h GLU 116 Cb 1.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1kl3 h GLU 116 CO 0.61 0.49 -0.31 0.00 -1.00 0.00 0.00 179.01 178.80 1kl3 h ALA 117 N 1.63 1.15 -0.52 3.43 0.00 -2.06 -3.21 119.26 119.67 1kl3 h ALA 117 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kl3 h ALA 117 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1kl3 h ALA 117 CO -0.07 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.82 1kl3 n ASN 118 N -4.10 3.96 0.28 0.00 5.03 -0.55 -4.52 115.26 115.38 1kl3 n ASN 118 Ca -0.01 -2.32 0.12 0.00 0.87 0.00 0.00 54.58 53.24 1kl3 n ASN 118 Cb 0.42 -0.46 0.80 0.00 -1.02 0.00 0.00 39.78 39.52 1kl3 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kl3 h ALA 119 N 3.18 1.72 -0.10 5.41 0.00 -1.43 -2.42 119.26 125.62 1kl3 h ALA 119 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1kl3 h ALA 119 Cb 1.16 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1kl3 h ALA 119 CO 0.12 0.00 0.09 0.11 0.00 0.00 0.00 179.25 179.58 1kl3 h TRP 120 N 0.00 0.00 -0.43 0.00 5.08 -1.85 -0.42 115.95 118.32 1kl3 h TRP 120 Ca -0.00 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.87 1kl3 h TRP 120 Cb 0.01 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.11 1kl3 h TRP 120 CO 0.00 0.00 0.06 0.36 -1.28 0.00 0.00 178.44 177.58 1kl3 n LYS 121 N -4.07 3.06 0.09 0.12 2.85 -0.91 -4.55 118.16 114.74 1kl3 n LYS 121 Ca -0.01 -3.00 -0.04 0.00 -1.05 0.00 0.00 58.31 54.21 1kl3 n LYS 121 Cb 0.20 -1.97 -0.05 0.00 -0.65 0.00 0.00 35.03 32.56 1kl3 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kl3 h SER 122 N 2.02 0.00 -3.21 -5.58 4.64 -1.18 -3.46 113.55 106.78 1kl3 h SER 122 Ca 0.12 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 1kl3 h SER 122 Cb 1.78 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.50 1kl3 h SER 122 CO 0.42 0.84 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.52 1kl3 s THR 123 N -2.86 1.28 0.10 2.95 2.01 -1.26 -1.00 115.64 116.86 1kl3 s THR 123 Ca 0.01 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1kl3 s THR 123 Cb 0.10 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.25 1kl3 s THR 123 CO 0.79 0.34 0.37 -0.76 -0.69 0.00 0.00 174.62 174.67 1kl3 s LEU 124 N 1.59 4.31 0.01 4.42 1.43 0.27 -4.93 118.68 125.78 1kl3 s LEU 124 Ca 0.04 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1kl3 s LEU 124 Cb -0.13 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1kl3 s LEU 124 CO -0.09 0.12 -0.22 0.54 0.23 0.00 0.00 176.35 176.93 1kl3 s VAL 125 N -1.52 1.77 0.05 -1.59 0.11 -1.26 -1.18 120.40 116.79 1kl3 s VAL 125 Ca 0.36 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1kl3 s VAL 125 Cb -0.13 -1.50 0.02 0.00 -1.53 0.00 0.00 36.38 33.24 1kl3 s VAL 125 CO 0.21 0.38 0.21 0.61 -3.33 0.00 0.00 175.10 173.18 1kl3 n GLY 126 N 2.20 1.33 3.02 6.54 0.00 -0.88 -5.00 105.19 112.41 1kl3 n GLY 126 Ca -0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1kl3 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kl3 s HIS 127 N -5.85 0.38 -0.06 1.61 -3.43 -1.26 -0.66 115.29 106.01 1kl3 s HIS 127 Ca 0.05 -0.71 -0.09 0.00 -0.80 0.00 0.00 55.06 53.51 1kl3 s HIS 127 Cb -0.01 -0.27 0.02 0.00 -1.43 0.00 0.00 32.58 30.89 1kl3 s HIS 127 CO 0.02 -0.24 0.23 -0.51 -2.00 0.00 0.00 174.74 172.23 1kl3 s ASP 128 N -1.96 -0.19 -0.13 7.38 1.01 -0.99 -4.94 116.67 116.84 1kl3 s ASP 128 Ca -0.08 0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.50 1kl3 s ASP 128 Cb -0.04 0.42 -0.01 0.00 1.01 0.00 0.00 42.92 44.30 1kl3 s ASP 128 CO -0.04 -0.17 -0.16 -0.89 0.21 0.00 0.00 175.17 174.12 1kl3 s THR 129 N -0.31 2.75 -0.05 -1.27 2.01 -1.26 -0.69 115.64 116.82 1kl3 s THR 129 Ca -0.04 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1kl3 s THR 129 Cb -0.03 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1kl3 s THR 129 CO 0.01 0.53 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.98 1kl3 s PHE 130 N 0.49 2.74 0.26 4.92 0.40 -0.03 -4.28 117.98 122.48 1kl3 s PHE 130 Ca -0.11 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1kl3 s PHE 130 Cb -0.16 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.67 1kl3 s PHE 130 CO 0.05 0.19 -0.07 0.95 0.70 0.00 0.00 175.22 177.04 1kl3 s THR 131 N -0.70 1.64 -0.66 0.64 -4.23 -0.11 -0.40 115.64 111.82 1kl3 s THR 131 Ca 0.11 -2.14 0.25 0.00 -1.18 0.00 0.00 61.69 58.73 1kl3 s THR 131 Cb -0.11 -2.36 0.16 0.00 1.34 0.00 0.00 72.50 71.52 1kl3 s THR 131 CO 0.01 -0.36 1.51 0.11 -0.54 0.00 0.00 174.62 175.35 1kl3 h LYS 132 N 2.34 0.00 -6.86 3.99 1.57 -1.81 0.38 116.57 116.18 1kl3 h LYS 132 Ca -0.39 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.70 1kl3 h LYS 132 Cb 1.23 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 1kl3 h LYS 132 CO 0.66 0.00 -0.87 0.08 -0.57 0.00 0.00 179.45 178.75 1kl3 s VAL 133 N -3.15 2.22 -2.44 0.50 1.01 -1.26 -4.87 120.40 112.42 1kl3 s VAL 133 Ca 0.08 -1.71 0.29 0.00 0.00 0.00 0.00 61.98 60.64 1kl3 s VAL 133 Cb 0.12 -1.96 0.60 0.00 0.00 0.00 0.00 36.38 35.14 1kl3 s VAL 133 CO 0.67 0.12 1.81 1.17 0.00 0.00 0.00 175.10 178.86