#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 1.21 -3.19 -0.61 2.04 -1.98 -3.44 117.51 111.55 1kl4 h ILE 17 Ca 0.00 -0.52 -0.53 0.00 1.00 0.00 0.00 64.86 64.81 1kl4 h ILE 17 Cb 0.00 0.22 0.06 0.00 -0.74 0.00 0.00 36.82 36.36 1kl4 h ILE 17 CO 0.00 0.24 0.82 -0.89 0.00 0.00 0.00 178.15 178.31 1kl4 s THR 18 N -5.69 2.57 -5.00 -0.27 2.01 -1.26 -4.81 115.64 103.19 1kl4 s THR 18 Ca -0.11 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1kl4 s THR 18 Cb 0.17 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1kl4 s THR 18 CO 0.80 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1kl4 n GLY 19 N 2.71 0.49 3.31 4.40 0.00 -0.33 -5.00 105.19 110.78 1kl4 n GLY 19 Ca 0.09 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.80 3.36 0.21 2.61 2.01 -1.26 -1.27 115.64 118.50 1kl4 s THR 20 Ca 0.00 -0.50 0.11 0.00 0.31 0.00 0.00 61.69 61.62 1kl4 s THR 20 Cb 0.00 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.94 1kl4 s THR 20 CO 0.00 0.42 -0.22 0.26 -0.69 0.00 0.00 174.62 174.39 1kl4 s TRP 21 N 1.47 2.31 -0.02 4.92 0.52 -0.01 -4.48 118.94 123.66 1kl4 s TRP 21 Ca 0.06 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1kl4 s TRP 21 Cb -0.14 -1.11 -0.00 0.00 -1.15 0.00 0.00 33.47 31.06 1kl4 s TRP 21 CO -0.03 0.55 -0.10 0.71 0.02 0.00 0.00 176.95 178.10 1kl4 s TYR 22 N -1.88 0.95 0.68 -1.98 1.51 0.08 -0.35 117.35 116.36 1kl4 s TYR 22 Ca 0.23 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1kl4 s TYR 22 Cb -0.07 -0.64 0.12 0.00 -0.11 0.00 0.00 41.96 41.26 1kl4 s TYR 22 CO 0.11 -0.05 0.93 0.54 -1.11 0.00 0.00 175.55 175.97 1kl4 s ASN 23 N -0.06 4.57 0.49 2.29 4.22 -0.71 -2.07 114.94 123.68 1kl4 s ASN 23 Ca 0.01 -0.59 0.16 0.00 -2.14 0.00 0.00 52.86 50.30 1kl4 s ASN 23 Cb -0.06 0.18 1.19 0.00 1.28 0.00 0.00 41.25 43.84 1kl4 s ASN 23 CO -0.00 -1.72 2.09 1.56 -2.04 0.00 0.00 177.10 177.00 1kl4 h GLN 24 N -0.30 0.00 -0.01 3.55 4.20 -1.90 -3.02 115.11 117.64 1kl4 h GLN 24 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1kl4 h GLN 24 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1kl4 h GLN 24 CO 0.39 0.07 -0.26 1.28 -0.67 0.00 0.00 178.83 179.65 1kl4 n LEU 25 N -4.43 1.31 0.00 1.46 4.77 -1.26 -4.94 117.00 113.91 1kl4 n LEU 25 Ca -0.03 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1kl4 n LEU 25 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1kl4 n LEU 25 CO 0.35 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1kl4 n GLY 26 N 1.33 0.89 3.88 -0.72 0.00 -1.14 -4.86 105.19 104.56 1kl4 n GLY 26 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.78 6.55 -0.08 1.61 0.01 -1.26 -3.84 113.70 114.91 1kl4 s SER 27 Ca 0.00 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.31 1kl4 s SER 27 Cb 0.00 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1kl4 s SER 27 CO 0.00 -0.28 -0.16 -0.89 0.41 0.00 0.00 173.24 172.32 1kl4 s THR 28 N -2.17 2.81 -0.23 1.44 2.01 -0.63 -1.73 115.64 117.14 1kl4 s THR 28 Ca 0.49 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1kl4 s THR 28 Cb -0.10 -2.12 0.05 0.00 0.01 0.00 0.00 72.50 70.34 1kl4 s THR 28 CO 0.27 0.56 -0.12 0.12 -0.69 0.00 0.00 174.62 174.76 1kl4 s PHE 29 N -0.17 3.01 -0.33 4.92 5.36 0.53 -0.70 117.98 130.59 1kl4 s PHE 29 Ca -0.01 -2.07 -0.11 0.00 -0.96 0.00 0.00 56.93 53.78 1kl4 s PHE 29 Cb -0.13 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1kl4 s PHE 29 CO 0.03 -0.84 0.20 0.42 -1.46 0.00 0.00 175.22 173.57 1kl4 s ILE 30 N 1.19 4.89 0.06 3.12 1.01 0.27 -0.83 121.20 130.92 1kl4 s ILE 30 Ca -0.05 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1kl4 s ILE 30 Cb -0.18 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1kl4 s ILE 30 CO -0.07 -0.00 -0.16 0.54 0.00 0.00 0.00 174.94 175.24 1kl4 s VAL 31 N 1.65 1.29 -0.08 2.92 0.11 -0.40 -1.33 120.40 124.56 1kl4 s VAL 31 Ca 0.05 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 57.90 1kl4 s VAL 31 Cb -0.17 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.49 1kl4 s VAL 31 CO 0.08 -0.07 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.68 1kl4 s THR 32 N -1.06 1.82 -0.31 5.04 2.01 0.41 -1.19 115.64 122.36 1kl4 s THR 32 Ca 0.02 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1kl4 s THR 32 Cb -0.09 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1kl4 s THR 32 CO 0.02 0.51 0.19 0.00 -0.69 0.00 0.00 174.62 174.66 1kl4 s ALA 33 N 0.33 3.43 0.54 7.40 0.00 -1.26 -2.23 121.76 129.97 1kl4 s ALA 33 Ca -0.15 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.46 1kl4 s ALA 33 Cb -0.17 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1kl4 s ALA 33 CO 0.07 -0.81 0.84 0.20 0.00 0.00 0.00 175.76 176.06 1kl4 s GLY 34 N 1.70 1.56 0.48 0.00 0.00 0.13 -4.90 107.32 106.29 1kl4 s GLY 34 Ca 0.06 -0.61 0.25 0.00 0.00 0.00 0.00 44.72 44.42 1kl4 s GLY 34 CO 0.09 -0.39 1.98 0.00 0.00 0.00 0.00 173.10 174.79 1kl4 h ALA 35 N 0.02 1.22 -0.01 3.20 0.00 -1.99 -2.50 119.26 119.21 1kl4 h ALA 35 Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1kl4 h ALA 35 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1kl4 h ALA 35 CO 0.61 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 1kl4 n ASP 36 N -3.62 0.15 0.00 0.00 5.75 -1.26 -4.83 116.55 112.74 1kl4 n ASP 36 Ca -0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1kl4 n ASP 36 Cb 0.31 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.47 0.76 3.83 6.12 0.00 -0.94 -5.02 105.19 110.41 1kl4 n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.74 3.62 -0.18 4.61 0.00 -1.25 -1.52 121.76 124.30 1kl4 s ALA 38 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 1kl4 s ALA 38 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1kl4 s ALA 38 CO 0.00 0.45 -0.03 -0.51 0.00 0.00 0.00 175.76 175.67 1kl4 s LEU 39 N -1.38 3.18 0.02 0.00 1.43 -0.28 0.20 118.68 121.84 1kl4 s LEU 39 Ca 0.30 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1kl4 s LEU 39 Cb -0.17 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1kl4 s LEU 39 CO 0.17 0.11 -0.04 0.42 0.23 0.00 0.00 176.35 177.25 1kl4 s THR 40 N 0.71 0.21 -1.97 5.49 -4.23 -0.95 -1.46 115.64 113.45 1kl4 s THR 40 Ca -0.02 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1kl4 s THR 40 Cb -0.14 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.39 1kl4 s THR 40 CO 0.02 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1kl4 n GLY 41 N 1.93 -0.83 2.88 3.99 0.00 -1.01 -0.44 105.19 111.71 1kl4 n GLY 41 Ca -0.21 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1kl4 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kl4 s THR 42 N -3.00 -0.00 -0.18 2.61 -4.23 -0.44 -1.49 115.64 108.90 1kl4 s THR 42 Ca 0.00 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 1kl4 s THR 42 Cb 0.00 -0.04 -0.04 0.00 1.34 0.00 0.00 72.50 73.76 1kl4 s THR 42 CO 0.00 0.00 0.10 -0.47 -0.54 0.00 0.00 174.62 173.71 1kl4 s TYR 43 N 0.06 3.36 -0.24 3.99 5.04 0.09 -0.57 117.35 129.09 1kl4 s TYR 43 Ca -0.00 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1kl4 s TYR 43 Cb -0.01 -2.08 0.06 0.00 0.35 0.00 0.00 41.96 40.28 1kl4 s TYR 43 CO -0.00 0.31 -0.05 0.42 -1.34 0.00 0.00 175.55 174.89 1kl4 s ILE 44 N 0.12 1.52 1.02 3.14 1.01 0.12 -0.51 121.20 127.62 1kl4 s ILE 44 Ca 0.07 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 1kl4 s ILE 44 Cb -0.12 -1.80 0.20 0.00 0.01 0.00 0.00 42.46 40.75 1kl4 s ILE 44 CO -0.00 -0.12 1.10 -0.83 0.00 0.00 0.00 174.94 175.08 1kl4 s GLY 45 N 1.39 1.63 0.29 6.18 0.00 -0.76 -1.61 107.32 114.44 1kl4 s GLY 45 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 44.72 45.07 1kl4 s GLY 45 CO -0.07 0.86 1.35 0.00 0.00 0.00 0.00 173.10 175.25 1kl4 n ALA 46 N -4.53 0.61 -0.20 3.20 0.00 -1.25 0.03 120.51 118.37 1kl4 n ALA 46 Ca 0.08 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.40 1kl4 n ALA 46 Cb 0.53 -0.75 0.07 0.00 0.00 0.00 0.00 19.45 19.30 1kl4 n ALA 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kl4 h ARG 47 N 0.00 0.58 -0.20 0.00 2.43 -1.89 -3.47 114.38 111.83 1kl4 h ARG 47 Ca 0.60 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.70 1kl4 h ARG 47 Cb 1.40 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1kl4 h ARG 47 CO -0.76 0.39 -0.04 0.41 -1.51 0.00 0.00 179.97 178.46 1kl4 n GLY 48 N -1.27 0.37 3.96 2.80 0.00 0.10 -5.07 105.19 106.09 1kl4 n GLY 48 Ca 0.06 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.94 5.03 0.29 1.61 4.22 -1.26 -5.02 114.94 116.87 1kl4 s ASN 49 Ca 0.00 -0.88 -0.01 0.00 -2.14 0.00 0.00 52.86 49.84 1kl4 s ASN 49 Cb 0.00 0.00 0.44 0.00 1.28 0.00 0.00 41.25 42.98 1kl4 s ASN 49 CO 0.00 -1.04 1.86 0.00 -2.04 0.00 0.00 177.10 175.89 1kl4 h ALA 50 N 0.60 1.28 0.00 3.54 0.00 -1.98 -2.00 119.26 120.70 1kl4 h ALA 50 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1kl4 h ALA 50 Cb 1.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kl4 h ALA 50 CO 0.50 0.52 0.00 0.39 0.00 0.00 0.00 179.25 180.66 1kl4 n GLU 51 N -4.31 0.13 -0.31 0.00 4.71 -1.26 -2.06 120.64 117.54 1kl4 n GLU 51 Ca 0.05 0.21 0.07 0.00 -0.01 0.00 0.00 57.16 57.48 1kl4 n GLU 51 Cb 0.18 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.34 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 -1.33 3.49 -4.77 1.62 3.41 -0.75 -4.84 113.62 110.44 1kl4 n SER 52 Ca 0.05 -2.23 -0.36 0.00 -0.26 0.00 0.00 58.87 56.07 1kl4 n SER 52 Cb 0.10 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 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 -1.41 4.02 0.04 4.33 0.52 -0.87 -1.83 118.95 123.73 1kl4 s ARG 53 Ca 0.34 -0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.49 1kl4 s ARG 53 Cb 0.20 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 1kl4 s ARG 53 CO 0.18 0.42 -0.09 0.71 0.02 0.00 0.00 175.30 176.55 1kl4 s TYR 54 N -0.02 0.75 0.17 -0.53 1.51 0.33 -4.82 117.35 114.74 1kl4 s TYR 54 Ca 0.13 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1kl4 s TYR 54 Cb -0.12 -0.45 -0.07 0.00 -0.11 0.00 0.00 41.96 41.21 1kl4 s TYR 54 CO 0.02 -0.05 1.05 0.08 -1.11 0.00 0.00 175.55 175.54 1kl4 s VAL 55 N -1.15 4.05 0.02 0.71 1.01 -1.26 -0.73 120.40 123.05 1kl4 s VAL 55 Ca -0.06 1.79 0.07 0.00 0.00 0.00 0.00 61.98 63.77 1kl4 s VAL 55 Cb -0.09 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1kl4 s VAL 55 CO 0.01 0.31 -0.21 -1.48 0.00 0.00 0.00 175.10 173.73 1kl4 s LEU 56 N -0.38 2.40 -0.00 3.92 0.05 -0.56 -4.38 118.68 119.73 1kl4 s LEU 56 Ca 0.48 -0.44 -0.06 0.00 0.05 0.00 0.00 54.13 54.15 1kl4 s LEU 56 Cb -0.27 -1.43 0.00 0.00 -2.05 0.00 0.00 46.19 42.44 1kl4 s LEU 56 CO 0.33 0.28 0.12 0.28 -0.55 0.00 0.00 176.35 176.82 1kl4 s THR 57 N -0.80 0.08 0.00 5.48 -1.32 -0.94 -2.41 115.64 115.72 1kl4 s THR 57 Ca 0.12 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 1kl4 s THR 57 Cb -0.10 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1kl4 s THR 57 CO 0.02 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1kl4 n GLY 58 N 1.68 2.22 3.16 6.08 0.00 -0.53 -0.67 105.19 117.13 1kl4 n GLY 58 Ca -0.21 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.48 0.62 0.06 1.61 1.81 -0.17 -1.13 118.95 121.27 1kl4 s ARG 59 Ca 0.00 -0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 53.43 1kl4 s ARG 59 Cb 0.00 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.73 1kl4 s ARG 59 CO 0.00 -0.17 0.05 1.52 -0.68 0.00 0.00 175.30 176.03 1kl4 s TYR 60 N -2.12 0.35 -0.51 -0.53 1.13 -0.57 -1.40 117.35 113.68 1kl4 s TYR 60 Ca -0.09 -0.80 -0.28 0.00 -1.41 0.00 0.00 57.07 54.49 1kl4 s TYR 60 Cb -0.03 -0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1kl4 s TYR 60 CO -0.02 -0.41 1.43 0.34 -2.51 0.00 0.00 175.55 174.38 1kl4 s ASP 61 N -2.69 6.17 0.00 -0.18 -1.08 -0.53 -4.64 116.67 113.71 1kl4 s ASP 61 Ca 0.03 0.47 0.28 0.00 -0.52 0.00 0.00 52.55 52.81 1kl4 s ASP 61 Cb 0.05 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.37 1kl4 s ASP 61 CO -0.09 -1.64 1.94 -1.54 0.52 0.00 0.00 175.17 174.36 1kl4 n SER 62 N 9.44 0.66 -3.20 -0.34 3.41 -1.26 -4.05 113.62 118.28 1kl4 n SER 62 Ca 0.14 -1.29 -0.23 0.00 -0.26 0.00 0.00 58.87 57.23 1kl4 n SER 62 Cb 0.49 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.46 2.91 -1.05 7.33 0.00 -1.26 -5.05 120.51 122.93 1kl4 n ALA 63 Ca 0.20 -3.82 -0.31 0.00 0.00 0.00 0.00 53.44 49.50 1kl4 n ALA 63 Cb 0.21 -0.85 0.12 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.09 1.78 0.82 0.00 0.04 -1.26 -4.99 135.00 129.30 1kl4 s PRO 64 Ca 0.39 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1kl4 s PRO 64 Cb 0.23 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 33.01 1kl4 s PRO 64 CO -0.09 -2.03 1.00 0.00 0.04 0.00 0.00 177.00 175.92 1kl4 n ALA 65 N -3.71 -0.61 -0.72 8.56 0.00 -1.26 -4.94 120.51 117.83 1kl4 n ALA 65 Ca 0.11 -0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.26 1kl4 n ALA 65 Cb 0.52 -2.13 0.30 0.00 0.00 0.00 0.00 19.45 18.15 1kl4 n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kl4 n THR 66 N -3.24 2.00 -0.70 0.00 -2.24 -1.26 -4.60 114.28 104.25 1kl4 n THR 66 Ca 0.12 -1.43 -0.03 0.00 -2.27 0.00 0.00 64.05 60.44 1kl4 n THR 66 Cb 0.51 -0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.40 4.52 0.00 3.42 5.68 -1.26 -4.88 116.55 124.44 1kl4 n ASP 67 Ca 0.22 -2.99 0.00 0.00 -0.50 0.00 0.00 54.79 51.53 1kl4 n ASP 67 Cb 0.87 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 0.03 0.78 3.83 6.12 0.00 -1.26 -5.08 105.19 109.61 1kl4 n GLY 68 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.56 5.72 0.96 1.61 0.01 -1.26 -5.05 113.70 113.12 1kl4 s SER 69 Ca 0.00 1.58 -0.12 0.00 1.31 0.00 0.00 55.95 58.72 1kl4 s SER 69 Cb 0.00 -2.49 0.17 0.00 0.21 0.00 0.00 66.02 63.90 1kl4 s SER 69 CO 0.00 -1.22 1.10 -0.83 0.41 0.00 0.00 173.24 172.70 1kl4 s GLY 70 N -3.74 1.58 -0.31 3.44 0.00 -1.26 -4.83 107.32 102.19 1kl4 s GLY 70 Ca 0.58 -0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 1kl4 s GLY 70 CO 0.51 0.26 0.23 -1.59 0.00 0.00 0.00 173.10 172.51 1kl4 s THR 71 N -3.00 5.29 0.38 0.90 2.01 -0.36 -4.78 115.64 116.07 1kl4 s THR 71 Ca 0.65 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 1kl4 s THR 71 Cb -0.18 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 1kl4 s THR 71 CO 0.57 0.09 1.24 0.00 -0.69 0.00 0.00 174.62 175.84 1kl4 s ALA 72 N 1.75 3.29 0.24 7.40 0.00 -1.26 -1.09 121.76 132.10 1kl4 s ALA 72 Ca 0.07 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 1kl4 s ALA 72 Cb -0.17 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1kl4 s ALA 72 CO 0.11 -0.63 0.67 -0.48 0.00 0.00 0.00 175.76 175.42 1kl4 s LEU 73 N -2.21 -0.34 0.15 0.00 0.05 -0.53 -1.46 118.68 114.35 1kl4 s LEU 73 Ca 0.54 -0.41 -0.21 0.00 0.05 0.00 0.00 54.13 54.10 1kl4 s LEU 73 Cb -0.36 2.64 0.06 0.00 -2.05 0.00 0.00 46.19 46.49 1kl4 s LEU 73 CO 0.46 -1.21 0.53 -0.83 -0.55 0.00 0.00 176.35 174.75 1kl4 s GLY 74 N -2.86 -0.49 0.12 -3.48 0.00 -0.50 -1.68 107.32 98.43 1kl4 s GLY 74 Ca 0.08 0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 1kl4 s GLY 74 CO 0.00 -0.01 0.34 0.66 0.00 0.00 0.00 173.10 174.09 1kl4 s TRP 75 N -3.77 -0.07 -0.01 1.90 -2.14 -0.68 -0.99 118.94 113.18 1kl4 s TRP 75 Ca 0.02 -0.29 0.05 0.00 2.66 0.00 0.00 56.10 58.54 1kl4 s TRP 75 Cb -0.00 0.16 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1kl4 s TRP 75 CO -0.12 -0.67 -0.16 0.99 -2.66 0.00 0.00 176.95 174.33 1kl4 s THR 76 N -3.83 1.28 -0.14 0.66 2.01 0.15 -0.82 115.64 114.95 1kl4 s THR 76 Ca 0.04 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1kl4 s THR 76 Cb 0.03 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1kl4 s THR 76 CO -0.11 0.32 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.25 1kl4 s VAL 77 N -0.43 1.94 -0.13 3.82 1.01 -0.25 -2.22 120.40 124.15 1kl4 s VAL 77 Ca 0.06 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1kl4 s VAL 77 Cb -0.06 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1kl4 s VAL 77 CO -0.00 0.53 0.37 0.00 0.00 0.00 0.00 175.10 176.00 1kl4 s ALA 78 N 0.90 3.56 -0.16 5.51 0.00 -1.26 -0.54 121.76 129.77 1kl4 s ALA 78 Ca -0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1kl4 s ALA 78 Cb -0.15 -2.48 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 1kl4 s ALA 78 CO -0.03 0.11 3.30 0.91 0.00 0.00 0.00 175.76 180.05 1kl4 n TRP 79 N 3.39 0.56 -4.48 0.00 7.02 0.09 -4.78 117.44 119.25 1kl4 n TRP 79 Ca -0.10 -1.65 -0.22 0.00 -1.02 0.00 0.00 57.50 54.50 1kl4 n TRP 79 Cb 0.52 -1.51 -0.16 0.00 -2.42 0.00 0.00 31.31 27.74 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 0.03 1.28 0.00 -0.99 2.20 -1.26 -1.29 119.74 119.71 1kl4 s LYS 80 Ca 0.63 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1kl4 s LYS 80 Cb 0.34 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 1kl4 s LYS 80 CO -0.08 0.07 0.00 0.27 -0.36 0.00 0.00 175.35 175.25 1kl4 n ASN 81 N 3.56 0.47 0.07 1.43 0.23 -0.37 -4.82 115.26 115.83 1kl4 n ASN 81 Ca -0.21 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 53.95 1kl4 n ASN 81 Cb 0.53 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.66 1kl4 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1kl4 n ASN 82 N 0.00 0.40 -0.02 0.53 3.02 -1.26 -3.89 115.26 114.03 1kl4 n ASN 82 Ca 0.00 0.58 0.01 0.00 -0.03 0.00 0.00 54.58 55.15 1kl4 n ASN 82 Cb 0.00 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 1kl4 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1kl4 n TYR 83 N -1.92 0.00 -3.60 3.10 4.01 -1.26 -5.06 117.16 112.43 1kl4 n TYR 83 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1kl4 n TYR 83 Cb 0.24 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.85 1kl4 n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1kl4 s ARG 84 N -2.59 1.02 -0.17 -0.72 0.52 -1.25 -5.14 118.95 110.62 1kl4 s ARG 84 Ca -0.05 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 1kl4 s ARG 84 Cb 0.06 0.46 0.08 0.00 0.52 0.00 0.00 34.95 36.07 1kl4 s ARG 84 CO 0.47 -0.38 0.20 1.21 0.02 0.00 0.00 175.30 176.82 1kl4 s ASN 85 N -2.16 1.28 0.00 0.23 3.84 -1.26 -1.24 114.94 115.63 1kl4 s ASN 85 Ca -0.04 -0.09 0.28 0.00 0.21 0.00 0.00 52.86 53.22 1kl4 s ASN 85 Cb -0.00 0.32 1.04 0.00 -0.55 0.00 0.00 41.25 42.06 1kl4 s ASN 85 CO -0.04 -0.31 1.74 0.00 -2.79 0.00 0.00 177.10 175.71 1kl4 n ALA 86 N 5.32 2.87 -3.73 1.71 0.00 -0.41 -4.96 120.51 121.31 1kl4 n ALA 86 Ca -0.05 -0.33 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1kl4 n ALA 86 Cb 0.50 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.79 -1.88 -3.77 0.00 8.25 -1.26 -4.83 115.22 110.94 1kl4 n HIS 87 Ca 0.14 0.83 -0.09 0.00 -0.26 0.00 0.00 57.72 58.33 1kl4 n HIS 87 Cb 0.31 -4.31 -0.04 0.00 1.12 0.00 0.00 29.99 27.07 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 -4.37 -0.25 -0.10 0.41 1.04 -1.26 -0.87 113.70 108.30 1kl4 s SER 88 Ca 0.00 -0.53 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 1kl4 s SER 88 Cb -0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1kl4 s SER 88 CO 0.82 -1.10 0.27 0.00 0.98 0.00 0.00 173.24 174.21 1kl4 s ALA 89 N -3.89 -0.67 -0.08 5.32 0.00 -0.56 -0.73 121.76 121.16 1kl4 s ALA 89 Ca 0.11 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1kl4 s ALA 89 Cb -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1kl4 s ALA 89 CO -0.00 -0.14 -0.07 0.99 0.00 0.00 0.00 175.76 176.53 1kl4 s THR 90 N 0.29 3.66 -0.09 0.00 2.01 0.30 -1.09 115.64 120.73 1kl4 s THR 90 Ca -0.01 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1kl4 s THR 90 Cb -0.03 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1kl4 s THR 90 CO -0.01 0.59 -0.22 0.42 -0.69 0.00 0.00 174.62 174.71 1kl4 s THR 91 N -0.69 2.27 -0.13 -0.82 -4.23 0.38 -1.09 115.64 111.34 1kl4 s THR 91 Ca 0.10 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.61 1kl4 s THR 91 Cb -0.11 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 1kl4 s THR 91 CO 0.02 0.56 0.01 0.26 -0.54 0.00 0.00 174.62 174.92 1kl4 s TRP 92 N 0.08 3.15 -0.10 3.99 0.51 -0.00 -1.36 118.94 125.21 1kl4 s TRP 92 Ca -0.10 0.02 -0.00 0.00 -2.12 0.00 0.00 56.10 53.90 1kl4 s TRP 92 Cb -0.16 -1.92 0.02 0.00 -0.81 0.00 0.00 33.47 30.61 1kl4 s TRP 92 CO 0.06 0.24 -0.07 0.45 -0.51 0.00 0.00 176.95 177.11 1kl4 s SER 93 N -0.18 1.97 0.00 2.95 0.15 0.50 -1.68 113.70 117.41 1kl4 s SER 93 Ca 0.05 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1kl4 s SER 93 Cb -0.12 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1kl4 s SER 93 CO 0.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1kl4 n GLY 94 N 4.73 1.64 3.23 9.45 0.00 -0.67 -1.25 105.19 122.31 1kl4 n GLY 94 Ca -0.14 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 1.84 0.50 -0.05 1.61 -2.07 -0.48 -1.45 119.66 119.56 1kl4 s GLN 95 Ca 0.00 0.20 -0.19 0.00 -1.82 0.00 0.00 55.36 53.55 1kl4 s GLN 95 Cb 0.00 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.10 1kl4 s GLN 95 CO 0.00 -0.10 0.53 -0.47 -1.32 0.00 0.00 175.29 173.93 1kl4 s TYR 96 N -0.43 3.62 -0.19 9.60 5.04 -0.25 -1.92 117.35 132.82 1kl4 s TYR 96 Ca -0.05 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 1kl4 s TYR 96 Cb -0.04 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.75 1kl4 s TYR 96 CO 0.02 0.31 -0.17 0.08 -1.34 0.00 0.00 175.55 174.45 1kl4 s VAL 97 N 0.04 2.21 0.20 3.14 1.01 0.30 -1.23 120.40 126.08 1kl4 s VAL 97 Ca 0.28 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1kl4 s VAL 97 Cb -0.17 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1kl4 s VAL 97 CO 0.14 0.46 0.28 0.61 0.00 0.00 0.00 175.10 176.59 1kl4 n GLY 98 N 4.62 0.60 0.00 4.51 0.00 -1.26 -1.30 105.19 112.36 1kl4 n GLY 98 Ca -0.20 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 2.89 -0.01 3.83 -0.02 0.00 -1.26 -4.75 105.19 105.87 1kl4 n GLY 99 Ca 0.04 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 1kl4 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kl4 s ALA 100 N -2.00 3.62 -0.16 4.61 0.00 -1.26 -3.78 121.76 122.79 1kl4 s ALA 100 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 1kl4 s ALA 100 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1kl4 s ALA 100 CO 0.00 0.45 0.13 0.39 0.00 0.00 0.00 175.76 176.73 1kl4 n GLU 101 N 1.39 -0.87 -1.89 0.00 -0.58 -1.26 -4.98 120.64 112.45 1kl4 n GLU 101 Ca -0.09 0.11 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 1kl4 n GLU 101 Cb 0.52 -2.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1kl4 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kl4 s ALA 102 N -3.04 3.37 0.05 0.62 0.00 -1.25 -4.93 121.76 116.58 1kl4 s ALA 102 Ca 0.01 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 1kl4 s ALA 102 Cb -0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1kl4 s ALA 102 CO 0.09 -1.01 0.20 -0.98 0.00 0.00 0.00 175.76 174.06 1kl4 s ARG 103 N -2.23 0.73 -0.24 0.00 1.70 -0.42 -4.36 118.95 114.13 1kl4 s ARG 103 Ca 0.56 -0.68 -0.02 0.00 -0.47 0.00 0.00 55.73 55.13 1kl4 s ARG 103 Cb -0.43 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.28 1kl4 s ARG 103 CO 0.56 -0.22 -0.06 0.42 -1.08 0.00 0.00 175.30 174.93 1kl4 s ILE 104 N -2.78 2.89 -0.23 4.99 1.01 -0.45 -0.53 121.20 126.10 1kl4 s ILE 104 Ca -0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 1kl4 s ILE 104 Cb -0.00 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1kl4 s ILE 104 CO -0.05 0.22 0.14 0.20 0.00 0.00 0.00 174.94 175.45 1kl4 s ASN 105 N 1.34 5.98 0.18 3.58 0.02 -0.81 -0.81 114.94 124.43 1kl4 s ASN 105 Ca 0.01 0.09 0.04 0.00 -1.02 0.00 0.00 52.86 51.98 1kl4 s ASN 105 Cb -0.16 -2.07 -0.05 0.00 0.02 0.00 0.00 41.25 38.99 1kl4 s ASN 105 CO -0.05 0.08 -0.06 0.42 0.02 0.00 0.00 177.10 177.51 1kl4 s THR 106 N 0.98 1.11 0.10 1.60 -4.23 -0.42 -1.39 115.64 113.39 1kl4 s THR 106 Ca 0.07 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1kl4 s THR 106 Cb -0.13 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1kl4 s THR 106 CO 0.04 -0.58 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.20 1kl4 s GLN 107 N -3.79 1.28 0.08 3.99 -0.21 -0.38 -2.02 119.66 118.61 1kl4 s GLN 107 Ca 0.21 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.43 1kl4 s GLN 107 Cb 0.04 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 1kl4 s GLN 107 CO 0.04 0.38 -0.09 1.67 -2.12 0.00 0.00 175.29 175.17 1kl4 s TRP 108 N -1.07 0.95 -0.09 0.91 1.48 0.25 -0.37 118.94 121.01 1kl4 s TRP 108 Ca 0.09 -0.67 0.01 0.00 -1.06 0.00 0.00 56.10 54.47 1kl4 s TRP 108 Cb -0.10 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.70 1kl4 s TRP 108 CO 0.04 -0.05 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.29 1kl4 s LEU 109 N -2.35 1.35 -0.24 -4.66 1.43 -0.46 -1.81 118.68 111.93 1kl4 s LEU 109 Ca 0.03 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1kl4 s LEU 109 Cb -0.03 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.43 1kl4 s LEU 109 CO -0.01 -0.06 -0.05 -0.22 0.23 0.00 0.00 176.35 176.24 1kl4 s LEU 110 N 1.24 3.15 -0.10 1.79 0.20 -0.41 -0.47 118.68 124.07 1kl4 s LEU 110 Ca -0.04 -0.78 -0.01 0.00 0.69 0.00 0.00 54.13 53.99 1kl4 s LEU 110 Cb -0.14 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1kl4 s LEU 110 CO -0.03 -0.11 -0.06 -0.89 -0.29 0.00 0.00 176.35 174.97 1kl4 s THR 111 N 1.36 3.71 -0.00 3.68 2.01 -0.25 -0.79 115.64 125.37 1kl4 s THR 111 Ca 0.01 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1kl4 s THR 111 Cb -0.16 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1kl4 s THR 111 CO -0.04 0.56 0.03 -0.44 -0.69 0.00 0.00 174.62 174.04 1kl4 s SER 112 N -0.31 5.32 0.15 3.53 0.01 0.13 -1.49 113.70 121.04 1kl4 s SER 112 Ca 0.04 0.05 -0.31 0.00 1.31 0.00 0.00 55.95 57.04 1kl4 s SER 112 Cb -0.13 -1.44 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 1kl4 s SER 112 CO 0.02 0.28 1.38 -0.83 0.41 0.00 0.00 173.24 174.50 1kl4 s GLY 113 N -1.63 2.10 0.24 3.44 0.00 -0.05 -4.83 107.32 106.59 1kl4 s GLY 113 Ca 0.21 1.15 0.01 0.00 0.00 0.00 0.00 44.72 46.08 1kl4 s GLY 113 CO 0.12 2.29 0.14 -0.51 0.00 0.00 0.00 173.10 175.13 1kl4 s THR 114 N 0.77 0.18 0.75 0.90 -4.23 -1.26 -5.02 115.64 107.72 1kl4 s THR 114 Ca 0.62 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1kl4 s THR 114 Cb -0.38 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1kl4 s THR 114 CO 0.33 0.00 1.13 0.42 -0.54 0.00 0.00 174.62 175.96 1kl4 s THR 115 N -3.93 2.78 0.37 3.99 -4.23 -1.26 -4.85 115.64 108.49 1kl4 s THR 115 Ca 0.38 0.24 0.05 0.00 -1.18 0.00 0.00 61.69 61.18 1kl4 s THR 115 Cb 0.07 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.88 1kl4 s THR 115 CO 0.14 -0.32 1.97 -0.33 -0.54 0.00 0.00 174.62 175.54 1kl4 h GLU 116 N -0.84 0.59 -0.42 3.99 5.08 -2.01 -2.45 114.58 118.52 1kl4 h GLU 116 Ca -0.45 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1kl4 h GLU 116 Cb 1.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1kl4 h GLU 116 CO 0.65 0.48 0.16 0.00 -1.00 0.00 0.00 179.01 179.30 1kl4 h ALA 117 N 1.61 1.49 -0.53 3.43 0.00 -2.06 -2.82 119.26 120.39 1kl4 h ALA 117 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kl4 h ALA 117 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kl4 h ALA 117 CO -0.02 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1kl4 n ASN 118 N -4.37 3.57 -0.18 0.00 3.02 -0.97 -4.56 115.26 111.78 1kl4 n ASN 118 Ca 0.03 -1.98 0.16 0.00 -0.03 0.00 0.00 54.58 52.76 1kl4 n ASN 118 Cb 0.15 -0.35 0.50 0.00 -0.61 0.00 0.00 39.78 39.47 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 4.01 2.10 0.00 5.41 0.00 -1.18 -1.66 119.26 127.95 1kl4 h ALA 119 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kl4 h ALA 119 Cb 0.94 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1kl4 h ALA 119 CO 0.00 -0.32 -0.02 0.11 0.00 0.00 0.00 179.25 179.02 1kl4 h TRP 120 N 0.43 0.00 -0.48 0.00 5.08 -1.81 0.41 115.95 119.57 1kl4 h TRP 120 Ca 0.39 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 60.09 1kl4 h TRP 120 Cb 0.87 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 26.87 1kl4 h TRP 120 CO -0.00 0.02 -0.00 0.36 -1.28 0.00 0.00 178.44 177.54 1kl4 n LYS 121 N -3.72 2.03 0.19 0.12 2.85 -0.63 -4.73 118.16 114.28 1kl4 n LYS 121 Ca -0.03 -3.25 0.10 0.00 -1.05 0.00 0.00 58.31 54.09 1kl4 n LYS 121 Cb 0.11 -1.91 0.12 0.00 -0.65 0.00 0.00 35.03 32.70 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 1.12 0.00 -3.13 -5.58 4.64 -0.94 -3.46 113.55 106.19 1kl4 h SER 122 Ca 0.30 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.02 1kl4 h SER 122 Cb 1.75 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.49 1kl4 h SER 122 CO 0.55 0.10 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.89 1kl4 s THR 123 N -3.18 1.58 0.24 2.95 2.01 -1.26 -0.69 115.64 117.29 1kl4 s THR 123 Ca 0.06 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 1kl4 s THR 123 Cb 0.06 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1kl4 s THR 123 CO 0.70 0.46 0.47 -0.76 -0.69 0.00 0.00 174.62 174.80 1kl4 s LEU 124 N 1.42 4.15 0.01 4.42 1.43 0.03 -4.92 118.68 125.22 1kl4 s LEU 124 Ca 0.04 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1kl4 s LEU 124 Cb -0.13 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1kl4 s LEU 124 CO -0.10 -0.11 -0.11 0.54 0.23 0.00 0.00 176.35 176.80 1kl4 s VAL 125 N -1.96 0.87 0.00 -1.59 0.11 -1.26 -1.29 120.40 115.28 1kl4 s VAL 125 Ca 0.41 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1kl4 s VAL 125 Cb -0.11 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 1kl4 s VAL 125 CO 0.29 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1kl4 n GLY 126 N 2.40 1.93 2.97 6.54 0.00 -0.75 -5.00 105.19 113.27 1kl4 n GLY 126 Ca -0.16 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 -6.52 0.19 0.01 1.61 -3.43 -1.26 -0.58 115.29 105.31 1kl4 s HIS 127 Ca 0.00 -0.39 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 1kl4 s HIS 127 Cb 0.00 -0.14 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1kl4 s HIS 127 CO 0.00 -0.16 -0.03 -0.51 -2.00 0.00 0.00 174.74 172.04 1kl4 s ASP 128 N -1.16 0.33 -0.08 7.38 1.01 -0.85 -4.95 116.67 118.35 1kl4 s ASP 128 Ca -0.13 -0.20 0.04 0.00 0.71 0.00 0.00 52.55 52.97 1kl4 s ASP 128 Cb -0.08 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.86 1kl4 s ASP 128 CO -0.01 -0.07 -0.22 -0.89 0.21 0.00 0.00 175.17 174.20 1kl4 s THR 129 N -0.52 1.84 -0.04 -1.27 2.01 -1.26 -1.30 115.64 115.10 1kl4 s THR 129 Ca -0.04 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1kl4 s THR 129 Cb -0.04 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1kl4 s THR 129 CO -0.00 0.51 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.98 1kl4 s PHE 130 N 0.28 2.82 0.21 4.92 0.40 0.01 -3.41 117.98 123.21 1kl4 s PHE 130 Ca -0.14 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1kl4 s PHE 130 Cb -0.16 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.68 1kl4 s PHE 130 CO 0.07 0.29 0.04 0.95 0.70 0.00 0.00 175.22 177.27 1kl4 s THR 131 N -0.84 0.59 -1.60 0.64 -4.23 -0.88 -1.34 115.64 107.99 1kl4 s THR 131 Ca 0.14 -1.99 0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1kl4 s THR 131 Cb -0.11 -2.33 0.42 0.00 1.34 0.00 0.00 72.50 71.82 1kl4 s THR 131 CO 0.03 -0.27 1.83 0.29 -0.54 0.00 0.00 174.62 175.96 1kl4 n LYS 132 N -0.32 0.63 -3.84 3.99 5.02 -1.26 -0.74 118.16 121.64 1kl4 n LYS 132 Ca -0.04 -0.22 -0.36 0.00 -2.02 0.00 0.00 58.31 55.67 1kl4 n LYS 132 Cb 0.64 -1.50 -0.13 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 -2.52 4.19 -2.00 -0.18 1.01 -1.26 -4.87 120.40 114.77 1kl4 s VAL 133 Ca 0.27 -0.22 0.14 0.00 0.00 0.00 0.00 61.98 62.18 1kl4 s VAL 133 Cb 0.20 -2.94 0.41 0.00 0.00 0.00 0.00 36.38 34.05 1kl4 s VAL 133 CO 0.49 0.37 1.28 1.17 0.00 0.00 0.00 175.10 178.41