#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl3 h ILE 17 N 0.00 1.30 -2.36 -0.61 2.04 -1.97 -3.45 117.51 112.47 1kl3 h ILE 17 Ca 0.00 -1.11 -0.59 0.00 1.00 0.00 0.00 64.86 64.16 1kl3 h ILE 17 Cb 0.00 1.66 0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1kl3 h ILE 17 CO 0.00 0.33 0.73 0.41 0.00 0.00 0.00 178.15 179.62 1kl3 n THR 18 N -4.61 0.26 -1.33 -0.27 -1.04 -1.26 -4.83 114.28 101.20 1kl3 n THR 18 Ca -0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1kl3 n THR 18 Cb 0.30 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1kl3 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kl3 n GLY 19 N 3.02 0.49 3.38 3.41 0.00 -0.56 -5.00 105.19 109.94 1kl3 n GLY 19 Ca 0.16 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.99 3.41 0.28 2.61 2.01 -1.26 -1.57 115.64 118.12 1kl3 s THR 20 Ca 0.00 -0.51 0.12 0.00 0.31 0.00 0.00 61.69 61.61 1kl3 s THR 20 Cb 0.00 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1kl3 s THR 20 CO 0.00 0.48 -0.20 0.26 -0.69 0.00 0.00 174.62 174.47 1kl3 s TRP 21 N 0.80 2.29 -0.02 4.92 0.52 0.21 -4.64 118.94 123.03 1kl3 s TRP 21 Ca -0.02 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.78 1kl3 s TRP 21 Cb -0.15 -0.99 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 1kl3 s TRP 21 CO 0.01 0.72 -0.04 0.71 0.02 0.00 0.00 176.95 178.37 1kl3 s TYR 22 N -2.51 0.49 0.51 -1.98 2.02 -0.05 -0.74 117.35 115.09 1kl3 s TYR 22 Ca 0.30 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.91 1kl3 s TYR 22 Cb -0.05 -0.41 0.10 0.00 -0.40 0.00 0.00 41.96 41.20 1kl3 s TYR 22 CO 0.15 -0.08 0.70 0.27 -1.57 0.00 0.00 175.55 175.02 1kl3 n ASN 23 N 3.50 0.96 0.25 2.29 0.23 -0.80 -1.39 115.26 120.30 1kl3 n ASN 23 Ca -0.19 -1.80 0.17 0.00 -0.53 0.00 0.00 54.58 52.22 1kl3 n ASN 23 Cb 0.54 -0.45 0.74 0.00 -2.08 0.00 0.00 39.78 38.53 1kl3 n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1kl3 h GLN 24 N 0.00 0.00 -0.24 -3.83 -0.00 -1.90 -1.46 115.11 107.68 1kl3 h GLN 24 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1kl3 h GLN 24 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.34 1kl3 h GLN 24 CO 0.25 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.36 1kl3 n LEU 25 N -2.84 2.48 0.00 0.06 4.77 -1.26 -4.89 117.00 115.32 1kl3 n LEU 25 Ca 0.00 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1kl3 n LEU 25 Cb 0.22 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1kl3 n LEU 25 CO 0.23 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1kl3 n GLY 26 N 1.30 0.74 3.78 -0.72 0.00 -0.55 -4.77 105.19 104.97 1kl3 n GLY 26 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.44 5.36 -0.11 1.61 0.01 -1.26 -4.39 113.70 112.47 1kl3 s SER 27 Ca 0.00 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.25 1kl3 s SER 27 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 1kl3 s SER 27 CO 0.00 -1.46 -0.17 -0.89 0.41 0.00 0.00 173.24 171.13 1kl3 s THR 28 N -2.31 2.68 -0.28 1.44 2.01 -0.03 -1.90 115.64 117.25 1kl3 s THR 28 Ca 0.67 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1kl3 s THR 28 Cb -0.20 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1kl3 s THR 28 CO 0.39 0.54 -0.00 0.12 -0.69 0.00 0.00 174.62 174.98 1kl3 s PHE 29 N 0.24 3.15 -0.39 4.92 5.36 0.08 -0.68 117.98 130.66 1kl3 s PHE 29 Ca -0.12 -1.48 -0.10 0.00 -0.96 0.00 0.00 56.93 54.27 1kl3 s PHE 29 Cb -0.16 -2.13 0.05 0.00 -0.34 0.00 0.00 43.02 40.44 1kl3 s PHE 29 CO 0.06 -0.71 0.23 0.42 -1.46 0.00 0.00 175.22 173.76 1kl3 s ILE 30 N 1.35 4.38 0.03 3.12 1.01 -0.27 -0.62 121.20 130.22 1kl3 s ILE 30 Ca -0.01 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.57 1kl3 s ILE 30 Cb -0.18 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1kl3 s ILE 30 CO -0.01 -0.36 -0.15 0.54 0.00 0.00 0.00 174.94 174.96 1kl3 s VAL 31 N 1.49 1.17 -0.13 2.92 0.11 -0.61 -0.70 120.40 124.65 1kl3 s VAL 31 Ca 0.02 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1kl3 s VAL 31 Cb -0.21 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1kl3 s VAL 31 CO 0.04 0.07 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.78 1kl3 s THR 32 N -0.77 2.19 -0.36 5.04 2.01 0.49 -1.49 115.64 122.75 1kl3 s THR 32 Ca 0.03 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.93 1kl3 s THR 32 Cb -0.08 -1.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1kl3 s THR 32 CO 0.01 0.55 0.36 0.00 -0.69 0.00 0.00 174.62 174.85 1kl3 s ALA 33 N 0.64 3.48 0.43 7.40 0.00 -1.26 -1.68 121.76 130.77 1kl3 s ALA 33 Ca -0.11 -1.33 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 1kl3 s ALA 33 Cb -0.16 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1kl3 s ALA 33 CO 0.02 -1.19 0.81 0.20 0.00 0.00 0.00 175.76 175.60 1kl3 s GLY 34 N 1.74 1.95 0.61 0.00 0.00 0.12 -4.88 107.32 106.87 1kl3 s GLY 34 Ca 0.11 -0.14 0.37 0.00 0.00 0.00 0.00 44.72 45.06 1kl3 s GLY 34 CO 0.12 0.07 2.26 0.00 0.00 0.00 0.00 173.10 175.54 1kl3 h ALA 35 N 1.16 1.16 -0.42 3.20 0.00 -1.98 -2.16 119.26 120.22 1kl3 h ALA 35 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1kl3 h ALA 35 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kl3 h ALA 35 CO 0.63 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1kl3 n ASP 36 N -3.34 2.60 0.00 0.00 5.75 -1.26 -4.90 116.55 115.40 1kl3 n ASP 36 Ca -0.02 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1kl3 n ASP 36 Cb 0.13 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.30 0.74 3.78 6.12 0.00 -0.81 -5.01 105.19 111.30 1kl3 n GLY 37 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.11 3.46 -0.11 4.61 0.00 -1.25 -1.54 121.76 124.82 1kl3 s ALA 38 Ca 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1kl3 s ALA 38 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 1kl3 s ALA 38 CO 0.00 0.28 -0.09 -0.51 0.00 0.00 0.00 175.76 175.45 1kl3 s LEU 39 N -1.01 3.00 0.05 0.00 1.43 -0.03 -0.71 118.68 121.41 1kl3 s LEU 39 Ca 0.35 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1kl3 s LEU 39 Cb -0.22 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1kl3 s LEU 39 CO 0.25 0.24 -0.04 0.42 0.23 0.00 0.00 176.35 177.44 1kl3 s THR 40 N -0.06 0.32 -5.00 5.49 -4.23 -0.68 -1.51 115.64 109.98 1kl3 s THR 40 Ca -0.01 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1kl3 s THR 40 Cb -0.14 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.57 1kl3 s THR 40 CO 0.03 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 1kl3 n GLY 41 N 0.61 -0.25 2.96 3.99 0.00 -1.14 -0.38 105.19 110.97 1kl3 n GLY 41 Ca -0.17 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.39 0.48 -0.16 2.61 2.01 0.12 -2.08 115.64 115.23 1kl3 s THR 42 Ca 0.00 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.74 1kl3 s THR 42 Cb 0.00 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 1kl3 s THR 42 CO 0.00 0.15 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.54 1kl3 s TYR 43 N 0.03 2.93 -0.18 4.92 6.14 0.84 -1.11 117.35 130.92 1kl3 s TYR 43 Ca 0.00 -0.58 0.01 0.00 0.64 0.00 0.00 57.07 57.14 1kl3 s TYR 43 Cb -0.04 -1.95 0.02 0.00 0.42 0.00 0.00 41.96 40.40 1kl3 s TYR 43 CO -0.00 -0.23 -0.20 0.08 0.64 0.00 0.00 175.55 175.84 1kl3 s VAL 44 N 0.63 2.05 0.80 3.14 1.01 0.15 -0.65 120.40 127.53 1kl3 s VAL 44 Ca -0.04 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1kl3 s VAL 44 Cb -0.15 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.46 1kl3 s VAL 44 CO 0.03 0.54 1.09 0.42 0.00 0.00 0.00 175.10 177.17 1kl3 s THR 45 N 1.26 3.18 0.57 3.92 -4.23 -0.72 -0.86 115.64 118.77 1kl3 s THR 45 Ca 0.04 0.38 0.27 0.00 -1.18 0.00 0.00 61.69 61.21 1kl3 s THR 45 Cb -0.13 -3.01 0.37 0.00 1.34 0.00 0.00 72.50 71.06 1kl3 s THR 45 CO -0.12 -0.50 2.05 0.00 -0.54 0.00 0.00 174.62 175.51 1kl3 h ALA 46 N -1.15 2.01 -0.83 3.99 0.00 -1.86 -0.52 119.26 120.88 1kl3 h ALA 46 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1kl3 h ALA 46 Cb 1.25 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1kl3 h ALA 46 CO 0.56 -0.41 0.53 -0.09 0.00 0.00 0.00 179.25 179.84 1kl3 h ARG 47 N 0.00 1.11 0.00 0.00 2.43 -1.91 -3.47 114.38 112.55 1kl3 h ARG 47 Ca 0.13 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1kl3 h ARG 47 Cb 0.67 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1kl3 h ARG 47 CO -0.00 0.75 0.00 0.41 -1.51 0.00 0.00 179.97 179.62 1kl3 n GLY 48 N -1.35 0.79 2.96 2.80 0.00 -0.21 -5.04 105.19 105.14 1kl3 n GLY 48 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1kl3 n GLY 48 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kl3 n ASN 49 N 0.00 0.89 -0.34 1.61 0.23 -1.26 -4.94 115.26 111.45 1kl3 n ASN 49 Ca 0.00 -1.80 -0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1kl3 n ASN 49 Cb 0.00 -0.54 0.16 0.00 -2.08 0.00 0.00 39.78 37.32 1kl3 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kl3 h ALA 50 N -0.76 1.35 0.00 -2.53 0.00 -1.99 -0.88 119.26 114.46 1kl3 h ALA 50 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1kl3 h ALA 50 Cb 0.93 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1kl3 h ALA 50 CO 0.27 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.48 1kl3 n GLU 51 N -4.41 0.54 -0.34 0.00 4.71 -1.26 -3.15 120.64 116.73 1kl3 n GLU 51 Ca 0.12 0.03 0.07 0.00 -0.01 0.00 0.00 57.16 57.37 1kl3 n GLU 51 Cb 0.05 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.20 1kl3 n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1kl3 n SER 52 N -1.07 3.50 -4.63 1.62 3.41 -0.33 -4.89 113.62 111.22 1kl3 n SER 52 Ca 0.14 -2.59 -0.35 0.00 -0.26 0.00 0.00 58.87 55.81 1kl3 n SER 52 Cb 0.09 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 1kl3 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kl3 s ARG 53 N -2.06 3.54 0.02 4.33 0.52 -1.19 -1.75 118.95 122.36 1kl3 s ARG 53 Ca 0.34 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1kl3 s ARG 53 Cb 0.25 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 1kl3 s ARG 53 CO 0.12 0.44 -0.07 0.71 0.02 0.00 0.00 175.30 176.52 1kl3 s TYR 54 N -0.14 0.61 0.28 -0.53 1.51 0.17 -4.83 117.35 114.43 1kl3 s TYR 54 Ca 0.05 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 1kl3 s TYR 54 Cb -0.12 -0.37 -0.10 0.00 -0.11 0.00 0.00 41.96 41.26 1kl3 s TYR 54 CO 0.02 -0.05 1.09 0.08 -1.11 0.00 0.00 175.55 175.58 1kl3 s VAL 55 N -0.83 3.50 0.10 0.71 1.01 -1.26 -0.11 120.40 123.52 1kl3 s VAL 55 Ca -0.04 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.50 1kl3 s VAL 55 Cb -0.07 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1kl3 s VAL 55 CO 0.00 0.34 -0.17 -1.48 0.00 0.00 0.00 175.10 173.80 1kl3 s LEU 56 N -1.50 2.32 0.02 3.92 0.05 -0.88 -4.40 118.68 118.20 1kl3 s LEU 56 Ca 0.45 -0.70 -0.06 0.00 0.05 0.00 0.00 54.13 53.87 1kl3 s LEU 56 Cb -0.31 -0.67 -0.01 0.00 -2.05 0.00 0.00 46.19 43.15 1kl3 s LEU 56 CO 0.40 -0.04 0.11 0.28 -0.55 0.00 0.00 176.35 176.55 1kl3 s THR 57 N -1.46 0.10 0.00 5.48 -1.32 -1.03 -2.91 115.64 114.50 1kl3 s THR 57 Ca 0.04 -0.86 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1kl3 s THR 57 Cb -0.09 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1kl3 s THR 57 CO 0.03 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.58 1kl3 n GLY 58 N 1.22 1.35 3.07 6.08 0.00 -0.57 -0.97 105.19 115.36 1kl3 n GLY 58 Ca -0.22 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.87 0.55 0.10 1.61 1.81 -0.66 -0.85 118.95 119.64 1kl3 s ARG 59 Ca 0.00 -0.96 -0.07 0.00 -1.72 0.00 0.00 55.73 52.98 1kl3 s ARG 59 Cb 0.00 -0.02 -0.01 0.00 -0.45 0.00 0.00 34.95 34.46 1kl3 s ARG 59 CO 0.00 -0.04 0.17 1.52 -0.68 0.00 0.00 175.30 176.28 1kl3 s TYR 60 N -2.56 0.32 -0.49 -0.53 1.13 -0.59 -1.42 117.35 113.22 1kl3 s TYR 60 Ca -0.03 -0.74 -0.28 0.00 -1.41 0.00 0.00 57.07 54.61 1kl3 s TYR 60 Cb -0.02 -0.14 0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1kl3 s TYR 60 CO -0.04 -0.56 1.46 0.34 -2.51 0.00 0.00 175.55 174.23 1kl3 s ASP 61 N -2.91 6.16 0.00 -0.18 2.15 -0.53 -4.58 116.67 116.78 1kl3 s ASP 61 Ca 0.10 0.56 0.21 0.00 0.43 0.00 0.00 52.55 53.85 1kl3 s ASP 61 Cb 0.05 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 41.10 1kl3 s ASP 61 CO -0.07 -1.63 1.66 -1.54 -0.17 0.00 0.00 175.17 173.42 1kl3 n SER 62 N 9.47 0.91 -3.02 -0.34 3.41 -1.26 -4.18 113.62 118.62 1kl3 n SER 62 Ca 0.15 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 57.05 1kl3 n SER 62 Cb 0.49 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.19 0.62 -1.24 7.33 0.00 -1.26 -5.04 120.51 120.73 1kl3 n ALA 63 Ca 0.16 -2.36 -0.29 0.00 0.00 0.00 0.00 53.44 50.95 1kl3 n ALA 63 Cb 0.21 -1.07 0.15 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.08 0.87 0.44 0.00 0.04 -1.26 -4.99 135.00 130.02 1kl3 s PRO 64 Ca 0.33 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 1kl3 s PRO 64 Cb 0.15 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 1kl3 s PRO 64 CO -0.16 -2.45 1.04 0.00 0.04 0.00 0.00 177.00 175.47 1kl3 s ALA 65 N -3.00 2.99 -1.84 8.56 0.00 -1.26 -4.95 121.76 122.27 1kl3 s ALA 65 Ca 0.64 0.66 0.14 0.00 0.00 0.00 0.00 51.96 53.41 1kl3 s ALA 65 Cb -0.18 -3.26 0.44 0.00 0.00 0.00 0.00 23.12 20.12 1kl3 s ALA 65 CO 0.57 -0.25 1.36 0.25 0.00 0.00 0.00 175.76 177.68 1kl3 n THR 66 N -0.46 0.77 1.39 0.00 -2.24 -1.26 -4.33 114.28 108.16 1kl3 n THR 66 Ca 0.07 -0.68 0.01 0.00 -2.27 0.00 0.00 64.05 61.18 1kl3 n THR 66 Cb 0.51 0.26 0.03 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.88 0.79 -0.16 3.42 5.68 -1.26 -4.86 116.55 121.03 1kl3 n ASP 67 Ca 0.17 -2.03 -0.01 0.00 -0.50 0.00 0.00 54.79 52.41 1kl3 n ASP 67 Cb 0.46 -0.24 -0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1kl3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kl3 n GLY 68 N 0.37 0.34 3.94 6.12 0.00 -1.26 -5.08 105.19 109.61 1kl3 n GLY 68 Ca 0.02 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.94 6.31 0.95 1.61 0.01 -1.26 -5.12 113.70 113.26 1kl3 s SER 69 Ca 0.00 0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.54 1kl3 s SER 69 Cb 0.00 -2.02 0.16 0.00 0.21 0.00 0.00 66.02 64.37 1kl3 s SER 69 CO 0.00 -0.24 1.17 -0.83 0.41 0.00 0.00 173.24 173.74 1kl3 s GLY 70 N -3.91 1.61 -0.36 3.44 0.00 -1.26 -4.79 107.32 102.05 1kl3 s GLY 70 Ca 0.39 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 44.28 1kl3 s GLY 70 CO 0.34 -0.08 0.25 -1.59 0.00 0.00 0.00 173.10 172.03 1kl3 s THR 71 N -3.38 5.18 0.49 0.90 2.01 -0.22 -4.76 115.64 115.86 1kl3 s THR 71 Ca 0.66 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 1kl3 s THR 71 Cb -0.12 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1kl3 s THR 71 CO 0.53 -0.10 1.26 0.00 -0.69 0.00 0.00 174.62 175.63 1kl3 s ALA 72 N 1.69 2.96 0.15 7.40 0.00 -1.26 -1.01 121.76 131.69 1kl3 s ALA 72 Ca 0.05 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 1kl3 s ALA 72 Cb -0.18 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1kl3 s ALA 72 CO 0.10 -0.97 0.73 -0.48 0.00 0.00 0.00 175.76 175.13 1kl3 s LEU 73 N -3.14 -0.41 0.10 0.00 0.05 -0.47 -1.45 118.68 113.36 1kl3 s LEU 73 Ca 0.66 -0.19 -0.19 0.00 0.05 0.00 0.00 54.13 54.46 1kl3 s LEU 73 Cb -0.35 2.46 0.04 0.00 -2.05 0.00 0.00 46.19 46.30 1kl3 s LEU 73 CO 0.42 -0.98 0.46 -0.83 -0.55 0.00 0.00 176.35 174.88 1kl3 s GLY 74 N -2.76 -0.37 0.15 -3.48 0.00 -0.50 -1.39 107.32 98.98 1kl3 s GLY 74 Ca 0.05 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.84 1kl3 s GLY 74 CO -0.06 -0.03 0.50 0.66 0.00 0.00 0.00 173.10 174.18 1kl3 s TRP 75 N -3.24 -0.32 0.04 1.90 -2.14 -0.36 -1.66 118.94 113.16 1kl3 s TRP 75 Ca -0.01 0.04 0.06 0.00 2.66 0.00 0.00 56.10 58.86 1kl3 s TRP 75 Cb 0.00 0.40 -0.02 0.00 -3.10 0.00 0.00 33.47 30.75 1kl3 s TRP 75 CO -0.08 -0.80 -0.18 0.99 -2.66 0.00 0.00 176.95 174.22 1kl3 s THR 76 N -3.79 1.42 -0.07 0.66 2.01 -0.14 -0.98 115.64 114.74 1kl3 s THR 76 Ca 0.03 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1kl3 s THR 76 Cb 0.00 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.28 1kl3 s THR 76 CO -0.11 0.12 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.14 1kl3 s VAL 77 N -0.81 1.12 -0.12 3.82 1.01 -0.63 -2.48 120.40 122.31 1kl3 s VAL 77 Ca 0.05 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1kl3 s VAL 77 Cb -0.08 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1kl3 s VAL 77 CO 0.02 0.36 0.34 0.00 0.00 0.00 0.00 175.10 175.81 1kl3 s ALA 78 N 0.85 3.61 -1.02 5.51 0.00 -1.26 -0.48 121.76 128.97 1kl3 s ALA 78 Ca -0.11 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1kl3 s ALA 78 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1kl3 s ALA 78 CO 0.01 0.18 2.75 0.91 0.00 0.00 0.00 175.76 179.62 1kl3 n TRP 79 N 3.17 2.01 -4.33 0.00 7.02 -0.49 -4.78 117.44 120.03 1kl3 n TRP 79 Ca -0.12 -2.52 -0.20 0.00 -1.02 0.00 0.00 57.50 53.64 1kl3 n TRP 79 Cb 0.52 -1.84 -0.16 0.00 -2.42 0.00 0.00 31.31 27.41 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 -0.33 0.94 0.06 -0.99 2.20 -1.26 -1.21 119.74 119.15 1kl3 s LYS 80 Ca 0.60 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1kl3 s LYS 80 Cb 0.25 -0.88 -0.01 0.00 -1.51 0.00 0.00 37.83 35.68 1kl3 s LYS 80 CO -0.11 0.06 0.05 0.27 -0.36 0.00 0.00 175.35 175.26 1kl3 n ASN 81 N 3.50 -0.09 0.08 1.43 0.23 -0.53 -4.79 115.26 115.08 1kl3 n ASN 81 Ca -0.20 -1.41 0.09 0.00 -0.53 0.00 0.00 54.58 52.53 1kl3 n ASN 81 Cb 0.53 0.31 0.40 0.00 -2.08 0.00 0.00 39.78 38.95 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 -2.72 0.39 -0.06 0.53 3.02 -1.26 -3.31 115.26 111.84 1kl3 n ASN 82 Ca 0.01 0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 55.15 1kl3 n ASN 82 Cb 0.11 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.43 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 -1.95 0.05 -3.58 3.10 4.01 -1.26 -5.05 117.16 112.48 1kl3 n TYR 83 Ca 0.02 0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.67 1kl3 n TYR 83 Cb 0.17 -0.84 -0.03 0.00 -0.31 0.00 0.00 39.34 38.33 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 -2.85 1.33 -0.12 -0.72 1.70 -1.21 -5.13 118.95 111.94 1kl3 s ARG 84 Ca -0.09 -0.66 -0.04 0.00 -0.47 0.00 0.00 55.73 54.47 1kl3 s ARG 84 Cb 0.09 0.55 0.05 0.00 -0.57 0.00 0.00 34.95 35.08 1kl3 s ARG 84 CO 0.86 -0.57 0.12 1.21 -1.08 0.00 0.00 175.30 175.84 1kl3 s ASN 85 N -2.81 1.46 0.00 -2.89 3.84 -1.26 -1.46 114.94 111.82 1kl3 s ASN 85 Ca 0.04 -0.12 0.18 0.00 0.21 0.00 0.00 52.86 53.17 1kl3 s ASN 85 Cb -0.01 0.03 0.58 0.00 -0.55 0.00 0.00 41.25 41.29 1kl3 s ASN 85 CO -0.08 -0.29 1.44 0.00 -2.79 0.00 0.00 177.10 175.38 1kl3 n ALA 86 N 5.30 2.48 -3.90 1.71 0.00 -0.35 -4.97 120.51 120.78 1kl3 n ALA 86 Ca -0.05 -0.65 -0.35 0.00 0.00 0.00 0.00 53.44 52.39 1kl3 n ALA 86 Cb 0.50 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 0.60 -1.66 -3.62 0.00 8.25 -1.26 -4.86 115.22 112.66 1kl3 n HIS 87 Ca 0.16 0.41 -0.08 0.00 -0.26 0.00 0.00 57.72 57.94 1kl3 n HIS 87 Cb 0.37 -3.26 -0.02 0.00 1.12 0.00 0.00 29.99 28.20 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 -3.74 -0.38 -0.01 0.41 1.04 -1.26 -1.17 113.70 108.60 1kl3 s SER 88 Ca 0.35 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 1kl3 s SER 88 Cb -0.15 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1kl3 s SER 88 CO 0.91 -1.02 0.17 0.00 0.98 0.00 0.00 173.24 174.28 1kl3 s ALA 89 N -3.62 -0.41 -0.06 5.32 0.00 -0.08 -1.40 121.76 121.51 1kl3 s ALA 89 Ca 0.07 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1kl3 s ALA 89 Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1kl3 s ALA 89 CO -0.04 -0.20 -0.16 0.99 0.00 0.00 0.00 175.76 176.35 1kl3 s THR 90 N -1.16 1.39 -0.06 0.00 2.01 0.37 -0.81 115.64 117.37 1kl3 s THR 90 Ca -0.12 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1kl3 s THR 90 Cb -0.06 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1kl3 s THR 90 CO 0.02 0.41 -0.10 0.42 -0.69 0.00 0.00 174.62 174.68 1kl3 s THR 91 N 0.30 3.45 -0.18 -0.82 -4.23 -0.23 -1.60 115.64 112.33 1kl3 s THR 91 Ca -0.10 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1kl3 s THR 91 Cb -0.14 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 1kl3 s THR 91 CO 0.04 0.59 -0.09 0.26 -0.54 0.00 0.00 174.62 174.88 1kl3 s TRP 92 N -0.72 2.90 -0.10 3.99 0.51 -0.15 -1.21 118.94 124.16 1kl3 s TRP 92 Ca 0.11 -0.80 0.03 0.00 -2.12 0.00 0.00 56.10 53.32 1kl3 s TRP 92 Cb -0.11 -1.97 -0.01 0.00 -0.81 0.00 0.00 33.47 30.57 1kl3 s TRP 92 CO 0.01 -0.38 -0.20 0.45 -0.51 0.00 0.00 176.95 176.33 1kl3 s SER 93 N 0.90 3.46 0.00 2.95 0.15 -0.28 -1.22 113.70 119.65 1kl3 s SER 93 Ca -0.02 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1kl3 s SER 93 Cb -0.15 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1kl3 s SER 93 CO 0.00 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1kl3 n GLY 94 N 3.35 1.24 3.18 9.45 0.00 -0.49 -1.14 105.19 120.78 1kl3 n GLY 94 Ca -0.18 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1kl3 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kl3 s GLN 95 N 1.19 0.58 -0.12 1.61 -2.07 -0.66 -1.37 119.66 118.82 1kl3 s GLN 95 Ca 0.00 -0.27 -0.12 0.00 -1.82 0.00 0.00 55.36 53.14 1kl3 s GLN 95 Cb 0.00 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 32.13 1kl3 s GLN 95 CO 0.00 -0.15 0.27 -0.47 -1.32 0.00 0.00 175.29 173.62 1kl3 s TYR 96 N -1.33 3.54 -0.24 9.60 5.04 -0.18 -1.58 117.35 132.19 1kl3 s TYR 96 Ca -0.14 0.64 0.02 0.00 -2.44 0.00 0.00 57.07 55.15 1kl3 s TYR 96 Cb -0.06 -2.24 0.05 0.00 0.35 0.00 0.00 41.96 40.06 1kl3 s TYR 96 CO 0.03 0.42 -0.10 0.08 -1.34 0.00 0.00 175.55 174.64 1kl3 s VAL 97 N -0.14 1.94 0.00 3.14 1.01 -0.13 -1.05 120.40 125.17 1kl3 s VAL 97 Ca 0.17 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1kl3 s VAL 97 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1kl3 s VAL 97 CO 0.05 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1kl3 n GLY 98 N 4.54 -0.15 0.16 4.51 0.00 -1.26 -1.80 105.19 111.18 1kl3 n GLY 98 Ca -0.14 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 5.00 -0.15 0.26 -0.02 0.00 -1.26 -4.65 105.19 104.37 1kl3 n GLY 99 Ca 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.76 -3.46 4.61 0.00 -2.06 -3.26 119.26 114.34 1kl3 h ALA 100 Ca 0.00 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 1kl3 h ALA 100 Cb 0.00 0.74 -0.39 0.00 0.00 0.00 0.00 17.79 18.14 1kl3 h ALA 100 CO 0.00 -0.84 -0.63 -1.83 0.00 0.00 0.00 179.25 175.95 1kl3 s GLU 101 N -4.50 1.81 0.57 0.00 4.04 -1.26 -5.09 118.70 114.26 1kl3 s GLU 101 Ca -0.09 -2.11 -0.18 0.00 0.04 0.00 0.00 54.97 52.63 1kl3 s GLU 101 Cb 0.04 -3.36 -0.04 0.00 0.02 0.00 0.00 34.13 30.78 1kl3 s GLU 101 CO 0.33 -1.03 1.12 0.00 -1.84 0.00 0.00 175.26 173.84 1kl3 s ALA 102 N 0.57 2.65 0.11 -0.84 0.00 -1.23 -4.95 121.76 118.07 1kl3 s ALA 102 Ca 0.12 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1kl3 s ALA 102 Cb -0.22 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1kl3 s ALA 102 CO -0.05 -0.87 0.28 -0.98 0.00 0.00 0.00 175.76 174.15 1kl3 s ARG 103 N -3.51 0.96 -0.18 0.00 1.70 -0.74 -4.32 118.95 112.86 1kl3 s ARG 103 Ca 0.71 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 1kl3 s ARG 103 Cb -0.22 0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.57 1kl3 s ARG 103 CO 0.30 -0.34 -0.18 0.42 -1.08 0.00 0.00 175.30 174.42 1kl3 s ILE 104 N -3.84 2.24 -0.24 4.99 1.01 -0.10 -0.96 121.20 124.29 1kl3 s ILE 104 Ca 0.05 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1kl3 s ILE 104 Cb 0.03 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 1kl3 s ILE 104 CO -0.11 0.53 0.20 0.20 0.00 0.00 0.00 174.94 175.76 1kl3 s ASN 105 N 1.27 6.15 0.14 3.58 0.02 -0.62 -1.00 114.94 124.48 1kl3 s ASN 105 Ca 0.04 0.15 0.01 0.00 -1.02 0.00 0.00 52.86 52.05 1kl3 s ASN 105 Cb -0.13 -2.13 -0.04 0.00 0.02 0.00 0.00 41.25 38.97 1kl3 s ASN 105 CO -0.11 0.02 -0.02 0.42 0.02 0.00 0.00 177.10 177.43 1kl3 s THR 106 N 1.23 0.61 0.11 1.60 -4.23 -0.19 -1.66 115.64 113.11 1kl3 s THR 106 Ca 0.09 -1.95 0.10 0.00 -1.18 0.00 0.00 61.69 58.75 1kl3 s THR 106 Cb -0.14 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1kl3 s THR 106 CO 0.06 -0.63 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.16 1kl3 s GLN 107 N -3.90 1.56 0.08 3.99 -0.21 -0.29 -2.05 119.66 118.85 1kl3 s GLN 107 Ca 0.19 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.34 1kl3 s GLN 107 Cb 0.06 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.07 1kl3 s GLN 107 CO 0.00 0.47 -0.10 1.67 -2.12 0.00 0.00 175.29 175.21 1kl3 s TRP 108 N -1.03 1.00 -0.10 0.91 1.48 -0.34 -1.13 118.94 119.73 1kl3 s TRP 108 Ca 0.14 -0.62 0.03 0.00 -1.06 0.00 0.00 56.10 54.59 1kl3 s TRP 108 Cb -0.10 -0.56 0.01 0.00 -1.16 0.00 0.00 33.47 31.66 1kl3 s TRP 108 CO 0.06 -0.02 -0.19 -0.51 -4.06 0.00 0.00 176.95 172.23 1kl3 s LEU 109 N -2.25 1.91 -0.25 -4.66 1.43 -0.35 -2.01 118.68 112.50 1kl3 s LEU 109 Ca 0.02 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1kl3 s LEU 109 Cb -0.04 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1kl3 s LEU 109 CO 0.00 0.08 -0.05 -0.22 0.23 0.00 0.00 176.35 176.39 1kl3 s LEU 110 N 0.67 3.23 -0.06 1.79 0.20 -0.52 -1.07 118.68 122.92 1kl3 s LEU 110 Ca -0.12 -0.86 0.03 0.00 0.69 0.00 0.00 54.13 53.87 1kl3 s LEU 110 Cb -0.16 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1kl3 s LEU 110 CO 0.03 -0.13 -0.14 -0.89 -0.29 0.00 0.00 176.35 174.93 1kl3 s THR 111 N 1.34 3.09 0.03 3.68 2.01 0.01 -1.49 115.64 124.31 1kl3 s THR 111 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1kl3 s THR 111 Cb -0.17 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 1kl3 s THR 111 CO -0.04 0.58 0.08 -0.44 -0.69 0.00 0.00 174.62 174.11 1kl3 s SER 112 N -0.55 5.64 0.16 3.53 0.01 -0.42 -0.90 113.70 121.17 1kl3 s SER 112 Ca 0.08 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.13 1kl3 s SER 112 Cb -0.12 -1.59 -0.08 0.00 0.21 0.00 0.00 66.02 64.45 1kl3 s SER 112 CO 0.01 0.24 1.30 -0.83 0.41 0.00 0.00 173.24 174.37 1kl3 s GLY 113 N -1.97 2.37 0.22 3.44 0.00 -0.31 -4.79 107.32 106.29 1kl3 s GLY 113 Ca 0.25 1.05 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1kl3 s GLY 113 CO 0.17 2.10 0.13 -0.51 0.00 0.00 0.00 173.10 174.98 1kl3 s THR 114 N 0.43 0.14 0.94 0.90 -4.23 -1.26 -5.03 115.64 107.53 1kl3 s THR 114 Ca 0.58 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.96 1kl3 s THR 114 Cb -0.35 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.11 1kl3 s THR 114 CO 0.35 0.00 1.15 0.42 -0.54 0.00 0.00 174.62 176.00 1kl3 s THR 115 N -4.02 1.97 0.27 3.99 -4.23 -1.26 -4.90 115.64 107.47 1kl3 s THR 115 Ca 0.39 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1kl3 s THR 115 Cb 0.07 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.44 1kl3 s THR 115 CO 0.13 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.73 1kl3 h GLU 116 N -1.61 1.01 0.00 3.99 5.08 -2.01 -1.28 114.58 119.77 1kl3 h GLU 116 Ca -0.50 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1kl3 h GLU 116 Cb 1.32 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1kl3 h GLU 116 CO 0.58 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 179.26 1kl3 h ALA 117 N 1.50 1.00 -0.34 3.43 0.00 -2.06 -2.76 119.26 120.03 1kl3 h ALA 117 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1kl3 h ALA 117 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1kl3 h ALA 117 CO -0.23 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.11 1kl3 n ASN 118 N -2.43 3.24 0.32 0.00 3.02 -0.53 -4.68 115.26 114.20 1kl3 n ASN 118 Ca 0.03 -2.27 0.19 0.00 -0.03 0.00 0.00 54.58 52.50 1kl3 n ASN 118 Cb 0.34 -0.32 1.07 0.00 -0.61 0.00 0.00 39.78 40.26 1kl3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kl3 h ALA 119 N 2.05 1.26 0.00 5.41 0.00 -1.13 -2.44 119.26 124.41 1kl3 h ALA 119 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kl3 h ALA 119 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1kl3 h ALA 119 CO 0.06 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.65 1kl3 n TRP 120 N -3.47 0.55 -0.97 0.00 4.27 -1.26 -1.78 117.44 114.78 1kl3 n TRP 120 Ca -0.03 0.22 0.08 0.00 -3.89 0.00 0.00 57.50 53.88 1kl3 n TRP 120 Cb 0.08 -0.85 0.31 0.00 -1.36 0.00 0.00 31.31 29.49 1kl3 n TRP 120 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1kl3 n LYS 121 N -2.00 3.60 0.12 -2.67 2.85 -0.92 -4.62 118.16 114.52 1kl3 n LYS 121 Ca 0.02 -2.96 -0.01 0.00 -1.05 0.00 0.00 58.31 54.31 1kl3 n LYS 121 Cb 0.20 -2.00 0.08 0.00 -0.65 0.00 0.00 35.03 32.67 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 2.55 0.00 -3.20 -5.58 4.64 -1.42 -3.46 113.55 107.08 1kl3 h SER 122 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.73 1kl3 h SER 122 Cb 1.64 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.38 1kl3 h SER 122 CO 0.32 0.66 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.22 1kl3 s THR 123 N -3.17 1.56 0.09 2.95 2.01 -1.26 -1.30 115.64 116.52 1kl3 s THR 123 Ca 0.01 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1kl3 s THR 123 Cb 0.10 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1kl3 s THR 123 CO 0.76 0.45 0.27 -0.76 -0.69 0.00 0.00 174.62 174.66 1kl3 s LEU 124 N 1.21 4.33 0.11 4.42 1.43 -0.56 -4.93 118.68 124.69 1kl3 s LEU 124 Ca -0.01 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 1kl3 s LEU 124 Cb -0.14 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1kl3 s LEU 124 CO -0.06 0.13 -0.20 0.54 0.23 0.00 0.00 176.35 176.99 1kl3 s VAL 125 N -1.55 1.69 0.01 -1.59 0.11 -1.26 -1.44 120.40 116.36 1kl3 s VAL 125 Ca 0.37 -1.58 -0.02 0.00 -2.93 0.00 0.00 61.98 57.82 1kl3 s VAL 125 Cb -0.13 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1kl3 s VAL 125 CO 0.26 -0.10 0.08 0.61 -3.33 0.00 0.00 175.10 172.62 1kl3 n GLY 126 N 0.99 1.03 3.00 6.54 0.00 -0.85 -5.01 105.19 110.90 1kl3 n GLY 126 Ca -0.19 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -4.80 -0.13 0.05 1.61 -3.43 -1.26 -1.20 115.29 106.14 1kl3 s HIS 127 Ca 0.02 0.31 0.05 0.00 -0.80 0.00 0.00 55.06 54.65 1kl3 s HIS 127 Cb -0.00 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1kl3 s HIS 127 CO 0.00 -0.07 -0.15 -0.51 -2.00 0.00 0.00 174.74 172.01 1kl3 s ASP 128 N 0.04 1.83 -0.13 7.38 1.01 -0.87 -4.98 116.67 120.95 1kl3 s ASP 128 Ca -0.00 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1kl3 s ASP 128 Cb -0.01 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 1kl3 s ASP 128 CO 0.00 0.02 -0.21 -0.89 0.21 0.00 0.00 175.17 174.31 1kl3 s THR 129 N -0.97 2.22 -0.15 -1.27 2.01 -1.26 -1.03 115.64 115.19 1kl3 s THR 129 Ca 0.02 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1kl3 s THR 129 Cb -0.09 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1kl3 s THR 129 CO 0.02 0.54 0.01 -0.36 -0.69 0.00 0.00 174.62 174.14 1kl3 s PHE 130 N 0.68 3.14 0.31 4.92 0.40 -0.17 -3.48 117.98 123.78 1kl3 s PHE 130 Ca -0.10 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1kl3 s PHE 130 Cb -0.16 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.34 1kl3 s PHE 130 CO 0.01 0.13 0.08 0.95 0.70 0.00 0.00 175.22 177.10 1kl3 s THR 131 N 0.13 0.90 -1.05 0.64 -4.23 -0.49 -0.92 115.64 110.62 1kl3 s THR 131 Ca 0.02 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.80 1kl3 s THR 131 Cb -0.13 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.19 1kl3 s THR 131 CO 0.02 0.00 1.75 0.29 -0.54 0.00 0.00 174.62 176.14 1kl3 n LYS 132 N -0.62 0.06 -3.86 3.99 5.02 -1.26 -0.88 118.16 120.61 1kl3 n LYS 132 Ca -0.02 -0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 1kl3 n LYS 132 Cb 0.66 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.10 1kl3 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kl3 s VAL 133 N -2.95 5.28 -0.01 -0.18 1.01 -1.26 -4.83 120.40 117.45 1kl3 s VAL 133 Ca 0.14 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 1kl3 s VAL 133 Cb 0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1kl3 s VAL 133 CO 0.58 0.51 0.74 -0.75 0.00 0.00 0.00 175.10 176.18 1kl3 s LYS 134 N -0.12 4.46 0.84 2.72 2.20 -1.26 -4.67 119.74 123.91 1kl3 s LYS 134 Ca 0.10 0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 56.61 1kl3 s LYS 134 Cb -0.12 -3.41 0.18 0.00 -1.51 0.00 0.00 37.83 32.98 1kl3 s LYS 134 CO 0.00 0.17 1.15 -0.35 -0.36 0.00 0.00 175.35 175.96 1kl3 n PRO 135 N 3.30 -0.65 0.00 4.03 -0.04 -1.26 -5.15 135.00 135.24 1kl3 n PRO 135 Ca -0.02 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 1kl3 n PRO 135 Cb 0.51 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1kl3 n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91