#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kl4 h ILE 17 N 0.00 1.31 -2.64 -0.61 2.04 -1.98 -3.45 117.51 112.19 1kl4 h ILE 17 Ca 0.00 -1.66 -0.55 0.00 1.00 0.00 0.00 64.86 63.65 1kl4 h ILE 17 Cb 0.00 1.63 0.06 0.00 -0.74 0.00 0.00 36.82 37.77 1kl4 h ILE 17 CO 0.00 0.52 0.90 0.41 0.00 0.00 0.00 178.15 179.99 1kl4 n THR 18 N -4.00 0.22 -1.43 -0.27 -1.04 -1.26 -4.81 114.28 101.69 1kl4 n THR 18 Ca -0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1kl4 n THR 18 Cb 0.56 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 1kl4 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1kl4 n GLY 19 N 3.42 0.27 3.24 3.41 0.00 -0.47 -5.00 105.19 110.06 1kl4 n GLY 19 Ca 0.15 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1kl4 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl4 s THR 20 N -3.23 2.49 0.15 2.61 2.01 -1.26 -1.17 115.64 117.25 1kl4 s THR 20 Ca 0.00 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1kl4 s THR 20 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1kl4 s THR 20 CO 0.00 0.53 -0.19 0.26 -0.69 0.00 0.00 174.62 174.53 1kl4 s TRP 21 N 0.80 1.82 0.00 4.92 0.52 0.54 -4.55 118.94 122.99 1kl4 s TRP 21 Ca -0.06 -0.45 0.05 0.00 0.02 0.00 0.00 56.10 55.65 1kl4 s TRP 21 Cb -0.15 -0.93 -0.01 0.00 -1.15 0.00 0.00 33.47 31.22 1kl4 s TRP 21 CO -0.00 0.30 -0.15 0.71 0.02 0.00 0.00 176.95 177.83 1kl4 s TYR 22 N -1.82 1.32 0.58 -1.98 2.02 0.46 -0.42 117.35 117.50 1kl4 s TYR 22 Ca 0.14 -0.28 0.10 0.00 -0.37 0.00 0.00 57.07 56.65 1kl4 s TYR 22 Cb -0.07 -0.83 0.09 0.00 -0.40 0.00 0.00 41.96 40.75 1kl4 s TYR 22 CO 0.06 -0.00 0.79 0.54 -1.57 0.00 0.00 175.55 175.37 1kl4 s ASN 23 N -0.57 5.03 0.45 2.29 4.22 -0.95 -1.02 114.94 124.39 1kl4 s ASN 23 Ca 0.05 -0.90 0.30 0.00 -2.14 0.00 0.00 52.86 50.16 1kl4 s ASN 23 Cb -0.06 0.38 1.17 0.00 1.28 0.00 0.00 41.25 44.02 1kl4 s ASN 23 CO -0.00 -1.38 1.88 0.06 -2.04 0.00 0.00 177.10 175.62 1kl4 h GLN 24 N 0.17 0.00 -0.53 3.55 -0.00 -1.91 -3.12 115.11 113.26 1kl4 h GLN 24 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1kl4 h GLN 24 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 1kl4 h GLN 24 CO 0.41 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.52 1kl4 n LEU 25 N -2.82 4.81 0.00 0.06 4.77 -1.26 -4.94 117.00 117.62 1kl4 n LEU 25 Ca 0.01 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1kl4 n LEU 25 Cb 0.30 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1kl4 n LEU 25 CO 0.26 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1kl4 n GLY 26 N 0.62 0.19 3.85 -0.72 0.00 -1.18 -4.73 105.19 103.22 1kl4 n GLY 26 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1kl4 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl4 s SER 27 N -2.20 6.58 -0.01 1.61 0.01 -1.26 -4.26 113.70 114.17 1kl4 s SER 27 Ca 0.00 1.49 0.07 0.00 1.31 0.00 0.00 55.95 58.82 1kl4 s SER 27 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 1kl4 s SER 27 CO 0.00 -0.57 -0.21 -0.89 0.41 0.00 0.00 173.24 171.97 1kl4 s THR 28 N -2.62 2.48 -0.18 1.44 2.01 0.01 -2.25 115.64 116.53 1kl4 s THR 28 Ca 0.57 -1.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 1kl4 s THR 28 Cb -0.10 -1.94 0.04 0.00 0.01 0.00 0.00 72.50 70.51 1kl4 s THR 28 CO 0.33 0.52 -0.06 0.12 -0.69 0.00 0.00 174.62 174.83 1kl4 s PHE 29 N -0.72 1.90 -0.23 4.92 5.36 0.44 -0.03 117.98 129.61 1kl4 s PHE 29 Ca 0.11 -1.26 -0.06 0.00 -0.96 0.00 0.00 56.93 54.76 1kl4 s PHE 29 Cb -0.10 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.15 1kl4 s PHE 29 CO 0.01 -0.66 0.03 0.42 -1.46 0.00 0.00 175.22 173.56 1kl4 s ILE 30 N 1.57 4.05 0.02 3.12 1.01 0.53 -0.34 121.20 131.15 1kl4 s ILE 30 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1kl4 s ILE 30 Cb -0.16 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1kl4 s ILE 30 CO -0.08 0.37 -0.05 0.54 0.00 0.00 0.00 174.94 175.73 1kl4 s VAL 31 N 1.46 0.30 -0.12 2.92 0.11 -0.31 -0.77 120.40 123.99 1kl4 s VAL 31 Ca 0.05 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1kl4 s VAL 31 Cb -0.15 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1kl4 s VAL 31 CO 0.02 -0.29 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.44 1kl4 s THR 32 N -1.01 1.69 -0.43 5.04 2.01 0.51 -1.37 115.64 122.08 1kl4 s THR 32 Ca -0.09 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 60.97 1kl4 s THR 32 Cb -0.07 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1kl4 s THR 32 CO -0.00 0.48 0.58 0.00 -0.69 0.00 0.00 174.62 174.99 1kl4 s ALA 33 N 1.00 3.37 0.66 7.40 0.00 -1.26 -1.78 121.76 131.15 1kl4 s ALA 33 Ca -0.05 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 50.51 1kl4 s ALA 33 Cb -0.15 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1kl4 s ALA 33 CO -0.03 -1.71 1.04 0.20 0.00 0.00 0.00 175.76 175.26 1kl4 s GLY 34 N 1.94 1.67 0.51 0.00 0.00 0.15 -4.90 107.32 106.68 1kl4 s GLY 34 Ca 0.19 -0.01 0.26 0.00 0.00 0.00 0.00 44.72 45.17 1kl4 s GLY 34 CO 0.17 0.28 2.03 0.00 0.00 0.00 0.00 173.10 175.59 1kl4 h ALA 35 N -0.51 1.26 -0.32 3.20 0.00 -1.97 -2.83 119.26 118.09 1kl4 h ALA 35 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1kl4 h ALA 35 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kl4 h ALA 35 CO 0.59 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 1kl4 n ASP 36 N -3.63 1.89 0.00 0.00 5.75 -1.26 -4.87 116.55 114.43 1kl4 n ASP 36 Ca -0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1kl4 n ASP 36 Cb 0.27 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1kl4 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kl4 n GLY 37 N 0.93 0.70 3.73 6.12 0.00 -1.07 -5.00 105.19 110.61 1kl4 n GLY 37 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1kl4 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl4 s ALA 38 N -2.39 3.27 -0.16 4.61 0.00 -1.26 -1.08 121.76 124.76 1kl4 s ALA 38 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.56 1kl4 s ALA 38 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1kl4 s ALA 38 CO 0.00 -0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.13 1kl4 s LEU 39 N -0.04 3.21 0.04 0.00 1.43 -0.38 0.31 118.68 123.25 1kl4 s LEU 39 Ca 0.48 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1kl4 s LEU 39 Cb -0.25 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1kl4 s LEU 39 CO 0.31 0.16 -0.06 0.42 0.23 0.00 0.00 176.35 177.41 1kl4 s THR 40 N 0.41 0.41 -4.25 5.49 -4.23 -0.74 -1.31 115.64 111.42 1kl4 s THR 40 Ca -0.04 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1kl4 s THR 40 Cb -0.14 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.95 1kl4 s THR 40 CO 0.03 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 1kl4 n GLY 41 N 1.15 -0.56 2.99 3.99 0.00 -1.10 -0.36 105.19 111.30 1kl4 n GLY 41 Ca -0.21 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 1kl4 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kl4 s THR 42 N -3.00 0.63 -0.13 2.61 2.01 0.05 -1.84 115.64 115.97 1kl4 s THR 42 Ca 0.00 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1kl4 s THR 42 Cb 0.00 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1kl4 s THR 42 CO 0.00 0.19 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.59 1kl4 s TYR 43 N 0.05 2.97 -0.16 4.92 6.14 0.10 -0.35 117.35 131.02 1kl4 s TYR 43 Ca -0.00 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.42 1kl4 s TYR 43 Cb -0.06 -1.88 0.02 0.00 0.42 0.00 0.00 41.96 40.46 1kl4 s TYR 43 CO -0.00 0.01 -0.15 0.42 0.64 0.00 0.00 175.55 176.47 1kl4 s ILE 44 N 0.10 1.69 0.99 3.14 1.01 0.96 -0.44 121.20 128.64 1kl4 s ILE 44 Ca -0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1kl4 s ILE 44 Cb -0.14 -1.58 0.19 0.00 0.01 0.00 0.00 42.46 40.93 1kl4 s ILE 44 CO 0.03 0.45 1.08 -0.83 0.00 0.00 0.00 174.94 175.67 1kl4 s GLY 45 N 1.44 1.58 0.29 6.18 0.00 -0.12 -0.81 107.32 115.87 1kl4 s GLY 45 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.61 1kl4 s GLY 45 CO -0.11 0.40 1.72 0.00 0.00 0.00 0.00 173.10 175.11 1kl4 h ALA 46 N -1.92 1.43 -0.99 3.20 0.00 -1.85 -0.21 119.26 118.92 1kl4 h ALA 46 Ca -0.54 0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1kl4 h ALA 46 Cb 1.31 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1kl4 h ALA 46 CO 0.55 -0.27 0.60 -0.09 0.00 0.00 0.00 179.25 180.03 1kl4 h ARG 47 N 0.47 0.81 0.00 0.00 2.43 -1.90 -3.47 114.38 112.72 1kl4 h ARG 47 Ca 0.54 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 1kl4 h ARG 47 Cb 0.98 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1kl4 h ARG 47 CO -0.48 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 1kl4 n GLY 48 N -1.33 1.45 3.95 2.80 0.00 -0.09 -5.05 105.19 106.92 1kl4 n GLY 48 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1kl4 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kl4 s ASN 49 N -3.22 4.42 0.55 1.61 2.20 -1.26 -4.94 114.94 114.30 1kl4 s ASN 49 Ca 0.00 0.16 0.23 0.00 -0.94 0.00 0.00 52.86 52.30 1kl4 s ASN 49 Cb 0.00 -0.65 1.52 0.00 -2.00 0.00 0.00 41.25 40.12 1kl4 s ASN 49 CO 0.00 -1.83 2.18 0.00 -2.94 0.00 0.00 177.10 174.51 1kl4 h ALA 50 N -0.71 1.83 0.00 3.54 0.00 -1.98 0.19 119.26 122.13 1kl4 h ALA 50 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1kl4 h ALA 50 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1kl4 h ALA 50 CO 0.50 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1kl4 n GLU 51 N -4.22 0.01 -0.55 0.00 4.71 -1.26 -2.77 120.64 116.56 1kl4 n GLU 51 Ca -0.02 0.27 0.03 0.00 -0.01 0.00 0.00 57.16 57.43 1kl4 n GLU 51 Cb 0.13 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.27 1kl4 n GLU 51 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1kl4 n SER 52 N -1.49 2.97 -4.71 1.62 3.41 0.06 -4.83 113.62 110.64 1kl4 n SER 52 Ca 0.03 -3.39 -0.35 0.00 -0.26 0.00 0.00 58.87 54.90 1kl4 n SER 52 Cb 0.15 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1kl4 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1kl4 s ARG 53 N -3.04 4.01 0.04 4.33 0.52 -1.11 -0.95 118.95 122.76 1kl4 s ARG 53 Ca 0.42 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 1kl4 s ARG 53 Cb 0.36 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1kl4 s ARG 53 CO 0.03 0.35 -0.10 0.71 0.02 0.00 0.00 175.30 176.31 1kl4 s TYR 54 N 0.19 0.87 0.29 -0.53 1.51 0.41 -4.81 117.35 115.28 1kl4 s TYR 54 Ca 0.07 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.44 1kl4 s TYR 54 Cb -0.12 -0.52 -0.09 0.00 -0.11 0.00 0.00 41.96 41.12 1kl4 s TYR 54 CO -0.01 -0.02 1.08 0.08 -1.11 0.00 0.00 175.55 175.57 1kl4 s VAL 55 N -1.06 3.57 0.07 0.71 1.01 -1.26 0.02 120.40 123.46 1kl4 s VAL 55 Ca -0.04 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.55 1kl4 s VAL 55 Cb -0.08 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1kl4 s VAL 55 CO 0.01 0.33 -0.18 -1.48 0.00 0.00 0.00 175.10 173.78 1kl4 s LEU 56 N -1.55 2.25 -0.02 3.92 0.05 -0.77 -4.38 118.68 118.17 1kl4 s LEU 56 Ca 0.46 -0.60 -0.03 0.00 0.05 0.00 0.00 54.13 54.00 1kl4 s LEU 56 Cb -0.30 -0.78 0.00 0.00 -2.05 0.00 0.00 46.19 43.06 1kl4 s LEU 56 CO 0.39 0.05 0.09 0.28 -0.55 0.00 0.00 176.35 176.60 1kl4 s THR 57 N -1.06 0.02 0.00 5.48 -1.32 -0.96 -2.71 115.64 115.09 1kl4 s THR 57 Ca 0.04 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1kl4 s THR 57 Cb -0.09 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1kl4 s THR 57 CO 0.03 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.94 1kl4 n GLY 58 N 2.67 2.54 3.07 6.08 0.00 -0.43 -1.00 105.19 118.12 1kl4 n GLY 58 Ca -0.15 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1kl4 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kl4 s ARG 59 N -0.55 0.46 0.07 1.61 1.81 -0.57 -1.25 118.95 120.54 1kl4 s ARG 59 Ca 0.00 -0.56 -0.06 0.00 -1.72 0.00 0.00 55.73 53.38 1kl4 s ARG 59 Cb 0.00 0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.67 1kl4 s ARG 59 CO 0.00 -0.10 0.13 1.52 -0.68 0.00 0.00 175.30 176.16 1kl4 s TYR 60 N -1.74 0.25 -0.43 -0.53 1.13 -0.24 -1.38 117.35 114.41 1kl4 s TYR 60 Ca -0.12 -0.70 -0.29 0.00 -1.41 0.00 0.00 57.07 54.55 1kl4 s TYR 60 Cb -0.07 -0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.65 1kl4 s TYR 60 CO -0.01 -0.49 1.42 0.34 -2.51 0.00 0.00 175.55 174.31 1kl4 s ASP 61 N -2.82 6.29 0.00 -0.18 -1.08 -0.76 -4.58 116.67 113.54 1kl4 s ASP 61 Ca 0.05 0.76 0.27 0.00 -0.52 0.00 0.00 52.55 53.10 1kl4 s ASP 61 Cb 0.05 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.21 1kl4 s ASP 61 CO -0.10 -1.48 1.84 -1.54 0.52 0.00 0.00 175.17 174.40 1kl4 n SER 62 N 8.98 0.97 -3.20 -0.34 3.41 -1.26 -4.18 113.62 118.01 1kl4 n SER 62 Ca 0.16 -1.39 -0.24 0.00 -0.26 0.00 0.00 58.87 57.14 1kl4 n SER 62 Cb 0.48 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 1kl4 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kl4 n ALA 63 N -0.21 2.47 -1.19 7.33 0.00 -1.26 -5.05 120.51 122.60 1kl4 n ALA 63 Ca 0.19 -3.44 -0.29 0.00 0.00 0.00 0.00 53.44 49.91 1kl4 n ALA 63 Cb 0.26 -0.81 0.18 0.00 0.00 0.00 0.00 19.45 19.07 1kl4 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kl4 s PRO 64 N -1.23 0.43 0.58 0.00 0.04 -1.26 -5.00 135.00 128.56 1kl4 s PRO 64 Ca 0.35 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 1kl4 s PRO 64 Cb 0.17 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 1kl4 s PRO 64 CO -0.11 -2.72 1.12 0.00 0.04 0.00 0.00 177.00 175.33 1kl4 s ALA 65 N -2.99 2.64 -0.30 8.56 0.00 -1.26 -4.96 121.76 123.45 1kl4 s ALA 65 Ca 0.65 0.73 0.11 0.00 0.00 0.00 0.00 51.96 53.45 1kl4 s ALA 65 Cb -0.18 -3.34 0.73 0.00 0.00 0.00 0.00 23.12 20.32 1kl4 s ALA 65 CO 0.57 -0.90 1.75 0.25 0.00 0.00 0.00 175.76 177.43 1kl4 n THR 66 N -1.63 2.85 -1.05 0.00 -2.24 -1.26 -4.48 114.28 106.47 1kl4 n THR 66 Ca 0.11 -1.70 0.01 0.00 -2.27 0.00 0.00 64.05 60.20 1kl4 n THR 66 Cb 0.51 -0.34 0.30 0.00 -2.10 0.00 0.00 70.33 68.71 1kl4 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kl4 n ASP 67 N -0.15 4.54 -0.44 3.42 5.68 -1.26 -4.91 116.55 123.43 1kl4 n ASP 67 Ca 0.37 -3.17 -0.04 0.00 -0.50 0.00 0.00 54.79 51.46 1kl4 n ASP 67 Cb 1.31 -0.67 -0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1kl4 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kl4 n GLY 68 N -0.20 0.21 3.92 6.12 0.00 -1.26 -5.07 105.19 108.92 1kl4 n GLY 68 Ca 0.32 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1kl4 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kl4 s SER 69 N -2.83 6.39 1.03 1.61 0.01 -1.26 -5.12 113.70 113.54 1kl4 s SER 69 Ca 0.00 0.54 -0.15 0.00 1.31 0.00 0.00 55.95 57.65 1kl4 s SER 69 Cb 0.00 -2.07 0.21 0.00 0.21 0.00 0.00 66.02 64.37 1kl4 s SER 69 CO 0.00 -0.17 1.14 -0.83 0.41 0.00 0.00 173.24 173.79 1kl4 s GLY 70 N -3.39 1.60 -0.37 3.44 0.00 -1.26 -4.82 107.32 102.52 1kl4 s GLY 70 Ca 0.41 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1kl4 s GLY 70 CO 0.31 0.01 0.21 -1.59 0.00 0.00 0.00 173.10 172.04 1kl4 s THR 71 N -3.18 4.69 0.56 0.90 2.01 0.21 -4.81 115.64 116.02 1kl4 s THR 71 Ca 0.68 -0.74 -0.20 0.00 0.31 0.00 0.00 61.69 61.73 1kl4 s THR 71 Cb -0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1kl4 s THR 71 CO 0.55 -0.19 1.22 0.00 -0.69 0.00 0.00 174.62 175.52 1kl4 s ALA 72 N 1.58 2.67 0.14 7.40 0.00 -1.26 -0.84 121.76 131.45 1kl4 s ALA 72 Ca 0.03 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 1kl4 s ALA 72 Cb -0.19 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.54 1kl4 s ALA 72 CO 0.07 -1.10 0.79 -0.48 0.00 0.00 0.00 175.76 175.04 1kl4 s LEU 73 N -3.79 -0.36 0.14 0.00 0.05 -0.29 -1.83 118.68 112.60 1kl4 s LEU 73 Ca 0.74 -0.23 -0.24 0.00 0.05 0.00 0.00 54.13 54.45 1kl4 s LEU 73 Cb -0.32 2.38 0.07 0.00 -2.05 0.00 0.00 46.19 46.27 1kl4 s LEU 73 CO 0.36 -0.95 0.64 -0.83 -0.55 0.00 0.00 176.35 175.02 1kl4 s GLY 74 N -2.76 -0.58 0.19 -3.48 0.00 -0.48 -1.51 107.32 98.69 1kl4 s GLY 74 Ca 0.07 0.53 -0.23 0.00 0.00 0.00 0.00 44.72 45.09 1kl4 s GLY 74 CO -0.04 0.17 0.63 0.66 0.00 0.00 0.00 173.10 174.53 1kl4 s TRP 75 N -3.67 -0.46 0.06 1.90 -2.14 -0.85 -1.51 118.94 112.28 1kl4 s TRP 75 Ca 0.02 0.19 0.06 0.00 2.66 0.00 0.00 56.10 59.03 1kl4 s TRP 75 Cb -0.01 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.93 1kl4 s TRP 75 CO -0.12 -0.93 -0.18 0.99 -2.66 0.00 0.00 176.95 174.05 1kl4 s THR 76 N -3.78 1.41 -0.07 0.66 2.01 -0.17 -0.96 115.64 114.74 1kl4 s THR 76 Ca 0.03 -1.22 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 1kl4 s THR 76 Cb -0.02 -1.27 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1kl4 s THR 76 CO -0.08 0.02 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.17 1kl4 s VAL 77 N -0.97 0.39 -0.00 3.82 1.01 -0.67 -2.27 120.40 121.71 1kl4 s VAL 77 Ca 0.04 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1kl4 s VAL 77 Cb -0.09 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1kl4 s VAL 77 CO 0.02 0.25 0.56 0.00 0.00 0.00 0.00 175.10 175.93 1kl4 s ALA 78 N 1.78 3.52 -1.20 5.51 0.00 -1.26 -1.02 121.76 129.09 1kl4 s ALA 78 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1kl4 s ALA 78 Cb -0.13 -2.68 0.10 0.00 0.00 0.00 0.00 23.12 20.41 1kl4 s ALA 78 CO -0.04 0.22 2.46 0.91 0.00 0.00 0.00 175.76 179.31 1kl4 n TRP 79 N 2.55 2.44 -4.05 0.00 7.02 0.12 -4.76 117.44 120.75 1kl4 n TRP 79 Ca -0.08 -2.70 -0.24 0.00 -1.02 0.00 0.00 57.50 53.46 1kl4 n TRP 79 Cb 0.51 -1.79 -0.17 0.00 -2.42 0.00 0.00 31.31 27.44 1kl4 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1kl4 s LYS 80 N -1.13 1.15 0.00 -0.99 2.20 -1.26 -0.95 119.74 118.76 1kl4 s LYS 80 Ca 0.55 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1kl4 s LYS 80 Cb 0.21 -1.22 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1kl4 s LYS 80 CO -0.11 -0.18 0.00 0.27 -0.36 0.00 0.00 175.35 174.97 1kl4 n ASN 81 N 4.58 0.75 0.13 1.43 0.23 -0.35 -4.81 115.26 117.23 1kl4 n ASN 81 Ca -0.16 -0.38 0.13 0.00 -0.53 0.00 0.00 54.58 53.64 1kl4 n ASN 81 Cb 0.50 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.65 1kl4 n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1kl4 h ASN 82 N 0.00 0.00 0.21 0.53 -0.26 -1.96 -3.24 115.58 110.87 1kl4 h ASN 82 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.40 1kl4 h ASN 82 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1kl4 h ASN 82 CO 0.00 0.00 -2.05 -1.22 -1.06 0.00 0.00 177.43 173.10 1kl4 n TYR 83 N -2.35 0.68 -3.94 1.19 4.01 -1.26 -5.03 117.16 110.47 1kl4 n TYR 83 Ca 0.04 0.20 -0.09 0.00 -0.16 0.00 0.00 57.90 57.89 1kl4 n TYR 83 Cb 0.34 -1.11 -0.03 0.00 -0.31 0.00 0.00 39.34 38.24 1kl4 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1kl4 s ARG 84 N -2.55 1.77 -0.24 -0.72 1.70 -1.23 -5.15 118.95 112.53 1kl4 s ARG 84 Ca -0.15 -1.25 -0.02 0.00 -0.47 0.00 0.00 55.73 53.84 1kl4 s ARG 84 Cb 0.07 0.54 0.13 0.00 -0.57 0.00 0.00 34.95 35.12 1kl4 s ARG 84 CO 0.78 -0.78 0.34 1.21 -1.08 0.00 0.00 175.30 175.77 1kl4 s ASN 85 N -3.02 0.65 0.00 -2.89 3.84 -1.26 -1.21 114.94 111.05 1kl4 s ASN 85 Ca 0.19 -0.04 0.31 0.00 0.21 0.00 0.00 52.86 53.53 1kl4 s ASN 85 Cb -0.03 0.89 1.76 0.00 -0.55 0.00 0.00 41.25 43.32 1kl4 s ASN 85 CO 0.10 -0.32 2.15 0.00 -2.79 0.00 0.00 177.10 176.23 1kl4 n ALA 86 N 5.35 2.67 -3.88 1.71 0.00 -0.13 -4.97 120.51 121.26 1kl4 n ALA 86 Ca -0.03 -0.24 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 1kl4 n ALA 86 Cb 0.50 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 1kl4 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1kl4 n HIS 87 N -0.80 -1.70 -3.57 0.00 8.25 -1.26 -4.85 115.22 111.28 1kl4 n HIS 87 Ca 0.23 0.62 -0.10 0.00 -0.26 0.00 0.00 57.72 58.21 1kl4 n HIS 87 Cb 0.15 -3.60 -0.02 0.00 1.12 0.00 0.00 29.99 27.65 1kl4 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kl4 s SER 88 N -4.06 -0.46 -0.14 0.41 1.04 -1.26 -0.63 113.70 108.60 1kl4 s SER 88 Ca 0.17 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1kl4 s SER 88 Cb -0.07 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.73 1kl4 s SER 88 CO 0.89 -1.09 0.37 0.00 0.98 0.00 0.00 173.24 174.38 1kl4 s ALA 89 N -3.81 -0.90 -0.07 5.32 0.00 -0.01 -0.71 121.76 121.58 1kl4 s ALA 89 Ca 0.04 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1kl4 s ALA 89 Cb -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1kl4 s ALA 89 CO -0.06 -0.18 -0.18 0.99 0.00 0.00 0.00 175.76 176.33 1kl4 s THR 90 N 0.25 2.68 -0.09 0.00 2.01 -0.19 -0.79 115.64 119.50 1kl4 s THR 90 Ca -0.00 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1kl4 s THR 90 Cb -0.03 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1kl4 s THR 90 CO -0.00 0.57 -0.24 0.42 -0.69 0.00 0.00 174.62 174.67 1kl4 s THR 91 N -0.23 2.05 -0.15 -0.82 -4.23 -0.36 -1.67 115.64 110.23 1kl4 s THR 91 Ca -0.00 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1kl4 s THR 91 Cb -0.13 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 1kl4 s THR 91 CO 0.03 0.56 -0.00 0.26 -0.54 0.00 0.00 174.62 174.93 1kl4 s TRP 92 N 0.27 3.12 -0.07 3.99 0.51 -0.14 -1.01 118.94 125.61 1kl4 s TRP 92 Ca -0.17 -0.09 0.03 0.00 -2.12 0.00 0.00 56.10 53.75 1kl4 s TRP 92 Cb -0.17 -1.96 0.01 0.00 -0.81 0.00 0.00 33.47 30.54 1kl4 s TRP 92 CO 0.08 0.12 -0.15 0.45 -0.51 0.00 0.00 176.95 176.95 1kl4 s SER 93 N 0.11 2.07 0.00 2.95 0.15 0.15 -2.01 113.70 117.11 1kl4 s SER 93 Ca 0.01 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1kl4 s SER 93 Cb -0.13 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 1kl4 s SER 93 CO 0.02 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1kl4 n GLY 94 N 3.67 1.22 2.99 9.45 0.00 -0.57 -1.08 105.19 120.87 1kl4 n GLY 94 Ca -0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 1kl4 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kl4 s GLN 95 N -0.48 0.24 -0.09 1.61 -2.07 -0.82 -1.14 119.66 116.91 1kl4 s GLN 95 Ca 0.00 -0.22 -0.12 0.00 -1.82 0.00 0.00 55.36 53.20 1kl4 s GLN 95 Cb 0.00 0.10 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1kl4 s GLN 95 CO 0.00 -0.05 0.29 -0.47 -1.32 0.00 0.00 175.29 173.74 1kl4 s TYR 96 N -0.72 3.59 -0.20 9.60 5.04 -0.02 -1.56 117.35 133.07 1kl4 s TYR 96 Ca -0.08 0.71 0.02 0.00 -2.44 0.00 0.00 57.07 55.28 1kl4 s TYR 96 Cb -0.05 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.09 1kl4 s TYR 96 CO 0.00 0.52 -0.16 0.08 -1.34 0.00 0.00 175.55 174.66 1kl4 s VAL 97 N -0.49 2.00 0.86 3.14 1.01 -0.34 -0.62 120.40 125.95 1kl4 s VAL 97 Ca 0.19 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1kl4 s VAL 97 Cb -0.14 -1.94 0.19 0.00 0.00 0.00 0.00 36.38 34.49 1kl4 s VAL 97 CO 0.07 0.31 1.17 0.61 0.00 0.00 0.00 175.10 177.26 1kl4 n GLY 98 N 4.58 -0.45 0.00 4.51 0.00 -1.26 -1.92 105.19 110.65 1kl4 n GLY 98 Ca -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1kl4 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kl4 n GLY 99 N -3.21 0.80 0.35 -0.02 0.00 -1.26 -4.80 105.19 97.05 1kl4 n GLY 99 Ca 0.17 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1kl4 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl4 h ALA 100 N 0.00 -0.91 -3.37 4.61 0.00 -2.06 -3.31 119.26 114.22 1kl4 h ALA 100 Ca 0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 1kl4 h ALA 100 Cb 0.00 0.74 -0.37 0.00 0.00 0.00 0.00 17.79 18.16 1kl4 h ALA 100 CO 0.00 -0.99 -0.60 -1.21 0.00 0.00 0.00 179.25 176.45 1kl4 s GLU 101 N -5.00 1.86 0.44 0.00 0.41 -1.26 -5.07 118.70 110.08 1kl4 s GLU 101 Ca -0.12 -2.00 -0.24 0.00 -0.41 0.00 0.00 54.97 52.20 1kl4 s GLU 101 Cb 0.04 -3.43 -0.08 0.00 -1.78 0.00 0.00 34.13 28.88 1kl4 s GLU 101 CO 0.44 -1.04 1.20 0.00 -0.49 0.00 0.00 175.26 175.37 1kl4 s ALA 102 N 0.78 3.05 0.11 5.21 0.00 -1.25 -4.95 121.76 124.71 1kl4 s ALA 102 Ca 0.11 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1kl4 s ALA 102 Cb -0.21 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1kl4 s ALA 102 CO -0.05 -0.70 0.26 -0.98 0.00 0.00 0.00 175.76 174.29 1kl4 s ARG 103 N -2.53 0.95 -0.13 0.00 1.70 -0.81 -4.27 118.95 113.86 1kl4 s ARG 103 Ca 0.61 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.96 1kl4 s ARG 103 Cb -0.31 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1kl4 s ARG 103 CO 0.39 -0.33 -0.18 0.42 -1.08 0.00 0.00 175.30 174.52 1kl4 s ILE 104 N -3.87 1.76 -0.18 4.99 1.01 -0.51 -1.20 121.20 123.20 1kl4 s ILE 104 Ca 0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1kl4 s ILE 104 Cb 0.04 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1kl4 s ILE 104 CO -0.09 0.49 0.05 0.20 0.00 0.00 0.00 174.94 175.59 1kl4 s ASN 105 N 1.03 5.49 0.09 3.58 0.02 -0.60 -0.93 114.94 123.62 1kl4 s ASN 105 Ca -0.04 0.03 -0.00 0.00 -1.02 0.00 0.00 52.86 51.83 1kl4 s ASN 105 Cb -0.15 -1.94 -0.04 0.00 0.02 0.00 0.00 41.25 39.14 1kl4 s ASN 105 CO -0.04 0.16 -0.02 0.42 0.02 0.00 0.00 177.10 177.64 1kl4 s THR 106 N 0.47 0.33 0.22 1.60 -4.23 -0.27 -1.94 115.64 111.83 1kl4 s THR 106 Ca 0.02 -1.87 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1kl4 s THR 106 Cb -0.13 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.94 1kl4 s THR 106 CO 0.01 -0.81 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.02 1kl4 s GLN 107 N -3.93 1.81 0.04 3.99 -1.52 -0.24 -2.05 119.66 117.76 1kl4 s GLN 107 Ca 0.13 -1.51 -0.02 0.00 -1.95 0.00 0.00 55.36 52.01 1kl4 s GLN 107 Cb 0.07 -1.95 -0.03 0.00 -0.22 0.00 0.00 33.01 30.89 1kl4 s GLN 107 CO -0.05 0.38 -0.00 1.67 -0.25 0.00 0.00 175.29 177.04 1kl4 s TRP 108 N -2.00 0.35 -0.06 0.91 1.48 0.38 -0.68 118.94 119.33 1kl4 s TRP 108 Ca 0.26 -0.74 0.03 0.00 -1.06 0.00 0.00 56.10 54.59 1kl4 s TRP 108 Cb -0.07 -0.26 0.01 0.00 -1.16 0.00 0.00 33.47 31.99 1kl4 s TRP 108 CO 0.14 -0.31 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.08 1kl4 s LEU 109 N -2.20 1.73 -0.22 -4.66 1.43 -0.18 -2.09 118.68 112.49 1kl4 s LEU 109 Ca -0.04 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1kl4 s LEU 109 Cb -0.01 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.40 1kl4 s LEU 109 CO -0.05 0.07 -0.16 -0.22 0.23 0.00 0.00 176.35 176.22 1kl4 s LEU 110 N 0.48 2.75 -0.12 1.79 0.20 -0.46 -1.22 118.68 122.10 1kl4 s LEU 110 Ca -0.12 -1.00 -0.01 0.00 0.69 0.00 0.00 54.13 53.69 1kl4 s LEU 110 Cb -0.14 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.09 1kl4 s LEU 110 CO 0.03 -0.09 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.04 1kl4 s THR 111 N 1.20 3.60 0.03 3.68 2.01 0.03 -0.80 115.64 125.39 1kl4 s THR 111 Ca -0.02 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1kl4 s THR 111 Cb -0.16 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1kl4 s THR 111 CO -0.09 0.54 0.12 -0.44 -0.69 0.00 0.00 174.62 174.06 1kl4 s SER 112 N -0.05 5.87 0.22 3.53 0.01 -0.72 -0.83 113.70 121.74 1kl4 s SER 112 Ca -0.00 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.12 1kl4 s SER 112 Cb -0.13 -1.71 -0.08 0.00 0.21 0.00 0.00 66.02 64.30 1kl4 s SER 112 CO 0.03 0.23 1.17 -0.83 0.41 0.00 0.00 173.24 174.25 1kl4 s GLY 113 N -2.08 2.81 0.23 3.44 0.00 0.20 -4.81 107.32 107.10 1kl4 s GLY 113 Ca 0.27 0.94 -0.00 0.00 0.00 0.00 0.00 44.72 45.93 1kl4 s GLY 113 CO 0.19 1.75 0.18 -0.51 0.00 0.00 0.00 173.10 174.72 1kl4 s THR 114 N -0.41 0.00 0.89 0.90 -4.23 -1.26 -5.02 115.64 106.51 1kl4 s THR 114 Ca 0.50 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1kl4 s THR 114 Cb -0.33 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.16 1kl4 s THR 114 CO 0.39 0.00 1.17 0.42 -0.54 0.00 0.00 174.62 176.06 1kl4 s THR 115 N -4.02 1.98 0.23 3.99 -4.23 -1.26 -4.86 115.64 107.47 1kl4 s THR 115 Ca 0.38 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1kl4 s THR 115 Cb 0.06 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1kl4 s THR 115 CO 0.14 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.64 1kl4 h GLU 116 N -1.40 0.48 0.00 3.99 5.08 -2.01 -1.64 114.58 119.08 1kl4 h GLU 116 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kl4 h GLU 116 Cb 1.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1kl4 h GLU 116 CO 0.60 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.92 1kl4 h ALA 117 N 1.48 1.00 -0.19 3.43 0.00 -2.06 -2.54 119.26 120.38 1kl4 h ALA 117 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1kl4 h ALA 117 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kl4 h ALA 117 CO -0.34 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.00 1kl4 n ASN 118 N -3.08 2.57 0.29 0.00 3.02 -0.82 -4.65 115.26 112.59 1kl4 n ASN 118 Ca -0.01 -2.09 0.18 0.00 -0.03 0.00 0.00 54.58 52.63 1kl4 n ASN 118 Cb 0.21 -0.16 0.87 0.00 -0.61 0.00 0.00 39.78 40.08 1kl4 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kl4 h ALA 119 N 1.11 1.08 0.00 5.41 0.00 -0.87 -0.34 119.26 125.66 1kl4 h ALA 119 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kl4 h ALA 119 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kl4 h ALA 119 CO 0.01 0.05 0.00 0.11 0.00 0.00 0.00 179.25 179.42 1kl4 h TRP 120 N 0.00 0.00 -0.12 0.00 5.08 -1.82 -2.38 115.95 116.71 1kl4 h TRP 120 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 1kl4 h TRP 120 Cb 0.30 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.43 1kl4 h TRP 120 CO 0.00 0.00 -0.33 0.36 -1.28 0.00 0.00 178.44 177.19 1kl4 n LYS 121 N -2.59 1.68 0.13 0.12 2.85 -0.14 -4.70 118.16 115.51 1kl4 n LYS 121 Ca -0.01 -3.23 -0.01 0.00 -1.05 0.00 0.00 58.31 54.01 1kl4 n LYS 121 Cb 0.13 -1.68 0.16 0.00 -0.65 0.00 0.00 35.03 32.99 1kl4 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kl4 h SER 122 N 0.97 0.00 -3.55 -5.58 4.64 -1.49 -3.46 113.55 105.08 1kl4 h SER 122 Ca 0.07 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.72 1kl4 h SER 122 Cb 1.23 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.00 1kl4 h SER 122 CO 0.13 0.63 -0.73 -0.89 -0.87 0.00 0.00 176.83 175.10 1kl4 s THR 123 N -3.51 2.97 0.21 2.95 2.01 -1.26 -1.75 115.64 117.26 1kl4 s THR 123 Ca -0.01 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 1kl4 s THR 123 Cb 0.12 -2.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.02 1kl4 s THR 123 CO 0.76 0.15 0.59 -0.76 -0.69 0.00 0.00 174.62 174.67 1kl4 s LEU 124 N 1.33 4.23 0.02 4.42 1.43 0.02 -4.92 118.68 125.21 1kl4 s LEU 124 Ca -0.00 1.07 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1kl4 s LEU 124 Cb -0.17 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1kl4 s LEU 124 CO -0.04 -0.02 -0.19 0.54 0.23 0.00 0.00 176.35 176.88 1kl4 s VAL 125 N -1.69 1.48 0.05 -1.59 0.11 -1.26 -1.35 120.40 116.14 1kl4 s VAL 125 Ca 0.45 -1.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1kl4 s VAL 125 Cb -0.13 -1.27 0.01 0.00 -1.53 0.00 0.00 36.38 33.46 1kl4 s VAL 125 CO 0.20 0.24 0.17 0.61 -3.33 0.00 0.00 175.10 172.99 1kl4 n GLY 126 N 2.15 1.47 3.15 6.54 0.00 -0.89 -5.01 105.19 112.61 1kl4 n GLY 126 Ca -0.16 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1kl4 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kl4 s HIS 127 N -6.43 -0.10 0.01 1.61 -3.43 -1.26 -0.47 115.29 105.22 1kl4 s HIS 127 Ca 0.04 0.16 0.01 0.00 -0.80 0.00 0.00 55.06 54.47 1kl4 s HIS 127 Cb -0.01 0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.16 1kl4 s HIS 127 CO 0.02 -0.29 -0.04 -0.51 -2.00 0.00 0.00 174.74 171.92 1kl4 s ASP 128 N -1.04 0.45 -0.10 7.38 1.01 -0.87 -4.95 116.67 118.55 1kl4 s ASP 128 Ca -0.11 -0.20 0.04 0.00 0.71 0.00 0.00 52.55 52.98 1kl4 s ASP 128 Cb -0.06 -0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.86 1kl4 s ASP 128 CO 0.02 -0.05 -0.23 -0.89 0.21 0.00 0.00 175.17 174.23 1kl4 s THR 129 N -0.49 2.15 0.00 -1.27 2.01 -1.26 -1.11 115.64 115.67 1kl4 s THR 129 Ca -0.03 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1kl4 s THR 129 Cb -0.04 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1kl4 s THR 129 CO -0.00 0.56 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.99 1kl4 s PHE 130 N 0.35 2.71 0.17 4.92 0.40 -0.11 -3.63 117.98 122.79 1kl4 s PHE 130 Ca -0.18 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 1kl4 s PHE 130 Cb -0.18 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1kl4 s PHE 130 CO 0.08 0.27 -0.03 0.95 0.70 0.00 0.00 175.22 177.20 1kl4 s THR 131 N -0.90 0.83 -1.49 0.64 -4.23 -0.19 -1.43 115.64 108.89 1kl4 s THR 131 Ca 0.15 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.95 1kl4 s THR 131 Cb -0.11 -2.03 0.44 0.00 1.34 0.00 0.00 72.50 72.13 1kl4 s THR 131 CO 0.05 -0.57 1.90 0.29 -0.54 0.00 0.00 174.62 175.75 1kl4 n LYS 132 N -0.23 0.51 -3.92 3.99 5.02 -1.26 -0.41 118.16 121.86 1kl4 n LYS 132 Ca -0.08 -0.12 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 1kl4 n LYS 132 Cb 0.62 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 1kl4 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kl4 s VAL 133 N -2.58 4.73 0.05 -0.18 1.01 -1.26 -4.87 120.40 117.29 1kl4 s VAL 133 Ca 0.27 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1kl4 s VAL 133 Cb 0.20 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1kl4 s VAL 133 CO 0.49 0.41 1.02 -0.75 0.00 0.00 0.00 175.10 176.27 1kl4 s LYS 134 N 0.76 4.58 0.00 2.72 2.20 -1.26 -4.77 119.74 123.98 1kl4 s LYS 134 Ca 0.04 1.50 0.27 0.00 -0.36 0.00 0.00 55.97 57.42 1kl4 s LYS 134 Cb -0.13 -3.41 1.58 0.00 -1.51 0.00 0.00 37.83 34.36 1kl4 s LYS 134 CO 0.02 -0.00 1.93 -2.30 -0.36 0.00 0.00 175.35 174.64