#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kk8 n LYS 2 N 0.00 4.61 -1.72 -0.52 4.76 -1.26 -5.02 118.16 119.01 1kk8 n LYS 2 Ca 0.00 -4.49 -0.43 0.00 -2.87 0.00 0.00 58.31 50.53 1kk8 n LYS 2 Cb 0.00 -2.53 -0.01 0.00 -1.84 0.00 0.00 35.03 30.64 1kk8 n LYS 2 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1kk8 n LEU 3 N 1.25 3.83 0.00 -0.35 4.77 -1.26 -5.00 117.00 120.24 1kk8 n LEU 3 Ca 0.31 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.47 1kk8 n LEU 3 Cb 0.32 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1kk8 n LEU 3 CO 0.70 -0.23 0.00 -1.54 -1.33 0.00 0.00 177.39 174.99 1kk8 n SER 4 N 1.42 0.00 -0.06 -1.43 3.41 -1.26 -4.92 113.62 110.78 1kk8 n SER 4 Ca 0.07 -0.66 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 1kk8 n SER 4 Cb 0.35 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 1kk8 n SER 4 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1kk8 h GLN 5 N 0.00 -0.00 -0.98 4.33 5.75 -1.99 -3.11 115.11 119.10 1kk8 h GLN 5 Ca 0.00 0.00 0.23 0.00 -0.15 0.00 0.00 58.65 58.73 1kk8 h GLN 5 Cb 0.00 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.43 1kk8 h GLN 5 CO 0.00 0.76 0.55 -0.44 -2.65 0.00 0.00 178.83 177.05 1kk8 h ASP 6 N -0.99 0.61 0.25 -0.69 5.19 -1.99 0.15 116.42 118.96 1kk8 h ASP 6 Ca -0.00 0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 56.37 1kk8 h ASP 6 Cb 0.77 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1kk8 h ASP 6 CO 0.00 0.10 -0.70 -0.33 -3.12 0.00 0.00 179.24 175.20 1kk8 h GLU 7 N 0.56 0.40 0.00 3.56 5.08 -1.95 -0.87 114.58 121.36 1kk8 h GLU 7 Ca 0.62 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1kk8 h GLU 7 Cb 1.15 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1kk8 h GLU 7 CO -0.47 0.94 -0.25 0.82 -1.00 0.00 0.00 179.01 179.05 1kk8 h ILE 8 N 0.28 0.53 -0.16 3.13 2.04 -1.12 -1.12 117.51 121.09 1kk8 h ILE 8 Ca -0.02 -1.29 -0.13 0.00 1.00 0.00 0.00 64.86 64.41 1kk8 h ILE 8 Cb 1.26 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1kk8 h ILE 8 CO 0.12 0.24 -0.43 0.44 0.00 0.00 0.00 178.15 178.52 1kk8 h ASP 9 N 0.00 0.64 -0.72 1.72 3.32 -0.75 -0.79 116.42 119.84 1kk8 h ASP 9 Ca -0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 1kk8 h ASP 9 Cb 0.88 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1kk8 h ASP 9 CO 0.03 1.11 0.33 0.44 -1.72 0.00 0.00 179.24 179.43 1kk8 h ASP 10 N 0.20 0.97 -0.35 6.45 3.32 -0.84 -0.91 116.42 125.27 1kk8 h ASP 10 Ca -0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1kk8 h ASP 10 Cb 1.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1kk8 h ASP 10 CO 0.09 0.84 0.05 0.25 -1.72 0.00 0.00 179.24 178.75 1kk8 h LEU 11 N 1.05 0.57 -0.73 1.55 5.85 -1.10 -2.16 115.31 120.34 1kk8 h LEU 11 Ca 0.25 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1kk8 h LEU 11 Cb 0.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1kk8 h LEU 11 CO -0.03 0.69 0.36 0.07 -0.34 0.00 0.00 178.44 179.20 1kk8 h LYS 12 N 0.42 1.04 -0.76 1.25 2.10 -0.78 -0.54 116.57 119.30 1kk8 h LYS 12 Ca 0.11 -0.15 0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1kk8 h LYS 12 Cb 0.37 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 1kk8 h LYS 12 CO 0.01 0.81 0.50 -0.44 -2.00 0.00 0.00 179.45 178.32 1kk8 h ASP 13 N 1.01 0.85 -0.23 7.07 5.19 -1.00 -0.65 116.42 128.66 1kk8 h ASP 13 Ca 0.25 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1kk8 h ASP 13 Cb 0.10 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1kk8 h ASP 13 CO -0.03 0.60 -0.40 0.58 -3.12 0.00 0.00 179.24 176.87 1kk8 h VAL 14 N 1.00 1.31 -0.25 -1.35 2.07 -1.07 -2.30 116.25 115.66 1kk8 h VAL 14 Ca 0.29 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1kk8 h VAL 14 Cb -0.07 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1kk8 h VAL 14 CO -0.08 0.51 0.05 0.15 0.02 0.00 0.00 177.57 178.21 1kk8 h PHE 15 N 0.39 0.08 0.04 1.57 3.04 -0.89 -0.85 116.94 120.32 1kk8 h PHE 15 Ca 0.02 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.01 1kk8 h PHE 15 Cb 1.00 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.47 1kk8 h PHE 15 CO 0.08 0.02 -0.23 0.93 -2.02 0.00 0.00 178.31 177.09 1kk8 h GLU 16 N 0.14 -0.37 -0.11 1.11 4.39 -1.04 0.77 114.58 119.46 1kk8 h GLU 16 Ca 0.12 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1kk8 h GLU 16 Cb 0.12 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1kk8 h GLU 16 CO -0.15 -0.25 -0.27 1.25 -1.16 0.00 0.00 179.01 178.42 1kk8 h LEU 17 N -0.39 -0.84 -1.88 1.33 5.85 -1.20 -0.01 115.31 118.19 1kk8 h LEU 17 Ca 0.05 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1kk8 h LEU 17 Cb 0.45 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1kk8 h LEU 17 CO -0.18 -0.32 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.25 1kk8 h PHE 18 N -0.36 0.00 0.00 1.25 -1.00 -0.50 -0.81 116.94 115.52 1kk8 h PHE 18 Ca 0.09 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.78 1kk8 h PHE 18 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1kk8 h PHE 18 CO -0.36 0.09 -0.45 0.22 -1.61 0.00 0.00 178.31 176.20 1kk8 h ASP 19 N 0.00 0.00 -0.17 2.17 3.58 0.19 -2.99 116.42 119.20 1kk8 h ASP 19 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1kk8 h ASP 19 Cb 0.16 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1kk8 h ASP 19 CO 0.01 0.45 -0.17 0.15 -2.88 0.00 0.00 179.24 176.79 1kk8 h PHE 20 N 0.00 0.50 0.00 0.28 3.04 0.38 -2.37 116.94 118.78 1kk8 h PHE 20 Ca -0.00 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 61.75 1kk8 h PHE 20 Cb 0.93 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1kk8 h PHE 20 CO 0.00 0.80 -0.19 -1.49 -2.02 0.00 0.00 178.31 175.41 1kk8 h TRP 21 N 0.07 0.00 -0.58 0.41 4.06 -1.25 -1.34 115.95 117.33 1kk8 h TRP 21 Ca 0.03 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.86 1kk8 h TRP 21 Cb 0.71 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.80 1kk8 h TRP 21 CO 0.08 0.19 0.13 -0.40 -3.56 0.00 0.00 178.44 174.87 1kk8 n ASP 22 N -3.99 4.71 -0.13 -3.49 5.68 -1.20 -4.96 116.55 113.16 1kk8 n ASP 22 Ca -0.02 -3.16 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 1kk8 n ASP 22 Cb 0.27 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.56 1kk8 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kk8 n GLY 23 N -0.11 0.32 3.62 6.12 0.00 -0.51 -4.97 105.19 109.65 1kk8 n GLY 23 Ca 0.33 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 1kk8 n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1kk8 n ARG 24 N 2.49 2.22 -0.68 1.61 0.63 -0.89 -4.64 116.66 117.41 1kk8 n ARG 24 Ca 0.00 0.71 -0.03 0.00 -0.92 0.00 0.00 57.85 57.62 1kk8 n ARG 24 Cb 0.00 -3.05 -0.03 0.00 0.45 0.00 0.00 32.46 29.83 1kk8 n ARG 24 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1kk8 n ASP 25 N 9.71 -0.39 0.00 6.15 3.85 -1.26 -5.00 116.55 129.62 1kk8 n ASP 25 Ca 0.27 -1.33 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 1kk8 n ASP 25 Cb 0.40 0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 1kk8 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kk8 n GLY 26 N 0.00 0.28 3.19 6.12 0.00 -1.26 -4.99 105.19 108.52 1kk8 n GLY 26 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1kk8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kk8 s ALA 27 N -1.57 1.19 -0.06 4.61 0.00 -1.26 -4.19 121.76 120.47 1kk8 s ALA 27 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1kk8 s ALA 27 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1kk8 s ALA 27 CO 0.00 0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.72 1kk8 s VAL 28 N -2.14 1.32 0.27 0.00 1.01 0.23 -4.46 120.40 116.63 1kk8 s VAL 28 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1kk8 s VAL 28 Cb -0.05 -1.17 -0.11 0.00 0.00 0.00 0.00 36.38 35.04 1kk8 s VAL 28 CO 0.01 0.39 1.62 -0.62 0.00 0.00 0.00 175.10 176.51 1kk8 s ASP 29 N 0.45 6.37 0.56 3.32 -1.08 -1.26 0.15 116.67 125.17 1kk8 s ASP 29 Ca -0.12 2.93 0.25 0.00 -0.52 0.00 0.00 52.55 55.09 1kk8 s ASP 29 Cb -0.15 -2.63 1.59 0.00 -1.46 0.00 0.00 42.92 40.28 1kk8 s ASP 29 CO 0.04 -0.93 2.19 0.00 0.52 0.00 0.00 175.17 176.99 1kk8 h ALA 30 N 5.31 1.61 0.00 3.66 0.00 -0.55 0.37 119.26 129.65 1kk8 h ALA 30 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1kk8 h ALA 30 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kk8 h ALA 30 CO 0.83 0.04 0.00 0.34 0.00 0.00 0.00 179.25 180.46 1kk8 n PHE 31 N -4.00 0.56 0.50 0.00 7.35 -1.26 -1.71 117.46 118.89 1kk8 n PHE 31 Ca -0.03 0.24 0.09 0.00 -0.76 0.00 0.00 57.45 56.99 1kk8 n PHE 31 Cb 0.12 -0.88 0.11 0.00 0.35 0.00 0.00 39.48 39.18 1kk8 n PHE 31 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1kk8 n LYS 32 N -2.03 1.78 -0.19 -4.13 4.76 0.11 -4.54 118.16 113.92 1kk8 n LYS 32 Ca 0.01 -1.75 0.07 0.00 -2.87 0.00 0.00 58.31 53.77 1kk8 n LYS 32 Cb 0.15 -1.36 0.35 0.00 -1.84 0.00 0.00 35.03 32.34 1kk8 n LYS 32 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1kk8 h LEU 33 N 3.42 0.67 0.02 -0.35 5.85 -1.33 -2.21 115.31 121.38 1kk8 h LEU 33 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1kk8 h LEU 33 Cb 0.77 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1kk8 h LEU 33 CO 0.00 0.43 -0.01 1.23 -0.34 0.00 0.00 178.44 179.75 1kk8 h GLY 34 N 0.76 -0.03 1.88 3.75 0.00 -1.80 -3.15 103.07 104.48 1kk8 h GLY 34 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1kk8 h GLY 34 CO -0.11 -0.01 0.06 -0.55 0.00 0.00 0.00 176.54 175.93 1kk8 h ASP 35 N -0.42 0.14 0.02 0.19 3.32 -1.82 -2.16 116.42 115.70 1kk8 h ASP 35 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kk8 h ASP 35 Cb 0.40 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1kk8 h ASP 35 CO 0.00 0.12 -0.04 0.58 -1.72 0.00 0.00 179.24 178.18 1kk8 h VAL 36 N 0.16 0.90 -0.12 -1.35 2.07 -1.37 -2.29 116.25 114.25 1kk8 h VAL 36 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1kk8 h VAL 36 Cb 0.01 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1kk8 h VAL 36 CO -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.52 1kk8 h ARG 38 N 0.17 1.02 -0.18 0.00 3.08 -1.04 -2.30 114.38 115.13 1kk8 h ARG 38 Ca 0.04 -0.39 0.05 0.00 0.07 0.00 0.00 59.98 59.75 1kk8 h ARG 38 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1kk8 h ARG 38 CO 0.01 1.08 0.16 0.00 -1.07 0.00 0.00 179.97 180.15 1kk8 n LEU 40 N -4.14 3.04 0.00 0.00 4.77 -0.90 -4.91 117.00 114.87 1kk8 n LEU 40 Ca 0.01 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1kk8 n LEU 40 Cb 0.29 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1kk8 n LEU 40 CO 0.31 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1kk8 n GLY 41 N 0.67 0.38 3.66 -0.72 0.00 -0.24 -5.06 105.19 103.88 1kk8 n GLY 41 Ca 0.15 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1kk8 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kk8 s ILE 42 N -2.00 3.91 -0.66 -0.61 -1.09 -1.03 -5.04 121.20 114.68 1kk8 s ILE 42 Ca 0.00 -0.93 0.05 0.00 -2.23 0.00 0.00 60.65 57.54 1kk8 s ILE 42 Cb 0.00 -2.82 0.25 0.00 -1.58 0.00 0.00 42.46 38.32 1kk8 s ILE 42 CO 0.00 0.20 0.79 0.59 -1.23 0.00 0.00 174.94 175.29 1kk8 n ASN 43 N 0.86 3.93 -4.80 3.58 3.02 -1.26 -3.90 115.26 116.69 1kk8 n ASN 43 Ca -0.12 -3.45 -0.35 0.00 -0.03 0.00 0.00 54.58 50.62 1kk8 n ASN 43 Cb 0.52 -0.70 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1kk8 n ASN 43 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kk8 s PRO 44 N -2.53 4.34 0.54 3.52 0.04 -1.26 -4.93 135.00 134.72 1kk8 s PRO 44 Ca 0.40 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.55 1kk8 s PRO 44 Cb 0.15 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1kk8 s PRO 44 CO -0.01 0.06 0.97 1.03 0.04 0.00 0.00 177.00 179.09 1kk8 s ARG 45 N -2.69 3.79 0.19 4.56 0.52 -1.26 -4.94 118.95 119.12 1kk8 s ARG 45 Ca 0.57 0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 56.46 1kk8 s ARG 45 Cb -0.14 -2.15 0.11 0.00 0.52 0.00 0.00 34.95 33.29 1kk8 s ARG 45 CO 0.19 -0.35 1.85 -0.91 0.02 0.00 0.00 175.30 176.09 1kk8 h ASN 46 N 0.47 0.69 -0.99 0.23 2.35 -1.98 -1.38 115.58 114.96 1kk8 h ASN 46 Ca -0.46 -0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.39 1kk8 h ASN 46 Cb 1.19 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.31 1kk8 h ASN 46 CO 0.62 0.50 0.63 -0.08 -1.65 0.00 0.00 177.43 177.44 1kk8 h GLU 47 N 0.82 0.96 -0.78 0.81 4.81 -2.00 -1.16 114.58 118.04 1kk8 h GLU 47 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1kk8 h GLU 47 Cb -0.07 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.06 1kk8 h GLU 47 CO -0.06 0.63 0.32 -0.44 -0.73 0.00 0.00 179.01 178.74 1kk8 h ASP 48 N 0.99 1.06 -0.01 1.04 3.45 -1.64 -2.68 116.42 118.63 1kk8 h ASP 48 Ca 0.48 -0.15 -0.19 0.00 0.43 0.00 0.00 57.03 57.60 1kk8 h ASP 48 Cb 0.47 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1kk8 h ASP 48 CO -0.24 0.93 -0.73 -0.37 -1.57 0.00 0.00 179.24 177.26 1kk8 h VAL 49 N 1.13 1.38 -0.42 -1.35 -1.51 -0.79 -2.93 116.25 111.75 1kk8 h VAL 49 Ca 0.26 -2.11 0.05 0.00 -1.23 0.00 0.00 66.70 63.67 1kk8 h VAL 49 Cb 0.19 2.50 -0.02 0.00 -2.13 0.00 0.00 31.29 31.83 1kk8 h VAL 49 CO -0.02 0.63 0.28 -0.26 -1.23 0.00 0.00 177.57 176.97 1kk8 h PHE 50 N 0.07 0.38 0.00 5.19 0.05 -1.28 0.14 116.94 121.49 1kk8 h PHE 50 Ca -0.09 0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.64 1kk8 h PHE 50 Cb 1.42 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 39.23 1kk8 h PHE 50 CO 0.13 0.21 -0.34 0.00 -0.18 0.00 0.00 178.31 178.14 1kk8 h ALA 51 N 1.77 1.04 -0.49 2.45 0.00 -1.42 -2.57 119.26 120.03 1kk8 h ALA 51 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kk8 h ALA 51 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kk8 h ALA 51 CO -0.04 0.43 0.00 1.33 0.00 0.00 0.00 179.25 180.96 1kk8 n VAL 52 N -3.56 0.65 0.00 0.00 0.24 -0.27 -4.92 118.33 110.47 1kk8 n VAL 52 Ca -0.00 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1kk8 n VAL 52 Cb 0.47 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1kk8 n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kk8 n GLY 53 N 1.45 0.94 3.71 7.63 0.00 -0.89 -4.75 105.19 113.29 1kk8 n GLY 53 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1kk8 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kk8 n GLY 54 N -0.62 0.51 3.74 -0.02 0.00 0.31 -4.94 105.19 104.17 1kk8 n GLY 54 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1kk8 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kk8 n THR 55 N -1.34 0.00 0.51 2.61 -2.24 -1.16 -4.38 114.28 108.28 1kk8 n THR 55 Ca 0.12 -1.98 0.09 0.00 -2.27 0.00 0.00 64.05 60.01 1kk8 n THR 55 Cb 0.46 -0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.26 1kk8 n THR 55 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1kk8 n HIS 56 N -2.01 0.00 -3.78 4.78 -0.00 -1.26 -4.54 115.22 108.41 1kk8 n HIS 56 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 1kk8 n HIS 56 Cb 0.59 -0.18 -0.09 0.00 -0.00 0.00 0.00 29.99 30.32 1kk8 n HIS 56 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1kk8 s LYS 57 N -2.97 0.66 0.76 -0.41 1.02 -1.26 -5.06 119.74 112.48 1kk8 s LYS 57 Ca 0.01 -0.28 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 1kk8 s LYS 57 Cb 0.13 0.29 0.06 0.00 -0.52 0.00 0.00 37.83 37.79 1kk8 s LYS 57 CO 0.77 -0.18 1.18 -1.64 -0.92 0.00 0.00 175.35 174.55 1kk8 s MET 58 N -1.53 2.00 -0.63 1.68 -1.94 -1.26 -4.11 119.30 113.51 1kk8 s MET 58 Ca -0.12 1.65 -0.03 0.00 -1.71 0.00 0.00 55.69 55.48 1kk8 s MET 58 Cb -0.05 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.97 1kk8 s MET 58 CO 0.03 -1.92 0.62 0.41 -0.01 0.00 0.00 175.02 174.15 1kk8 n GLY 59 N 0.17 -1.18 2.16 -0.03 0.00 -1.26 -4.94 105.19 100.11 1kk8 n GLY 59 Ca 0.13 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1kk8 n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kk8 n GLU 60 N -1.46 0.00 -3.81 1.61 1.02 -1.26 -5.13 120.64 111.60 1kk8 n GLU 60 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1kk8 n GLU 60 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.79 1kk8 n GLU 60 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1kk8 s LYS 61 N -2.00 0.23 0.28 3.49 2.20 -1.26 -5.08 119.74 117.59 1kk8 s LYS 61 Ca 0.00 0.23 0.10 0.00 -0.36 0.00 0.00 55.97 55.94 1kk8 s LYS 61 Cb 0.00 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 1kk8 s LYS 61 CO 0.00 -0.03 -0.07 -1.12 -0.36 0.00 0.00 175.35 173.77 1kk8 s SER 62 N 0.03 4.19 -0.03 1.43 0.01 -1.26 0.19 113.70 118.26 1kk8 s SER 62 Ca -0.01 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.45 1kk8 s SER 62 Cb -0.02 -0.63 0.02 0.00 0.21 0.00 0.00 66.02 65.60 1kk8 s SER 62 CO 0.00 -0.01 -0.03 -0.76 0.41 0.00 0.00 173.24 172.85 1kk8 s LEU 63 N -3.63 1.45 0.68 2.44 1.43 0.39 -4.76 118.68 116.69 1kk8 s LEU 63 Ca 0.31 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 1kk8 s LEU 63 Cb -0.05 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1kk8 s LEU 63 CO 0.18 -0.04 1.03 -2.16 0.23 0.00 0.00 176.35 175.59 1kk8 s PRO 64 N 0.68 2.64 0.24 1.29 0.04 -1.26 0.76 135.00 139.39 1kk8 s PRO 64 Ca -0.08 0.13 -0.07 0.00 0.04 0.00 0.00 61.00 61.02 1kk8 s PRO 64 Cb -0.11 -2.12 0.24 0.00 0.04 0.00 0.00 34.50 32.54 1kk8 s PRO 64 CO -0.00 -1.03 1.91 0.35 0.04 0.00 0.00 177.00 178.26 1kk8 h PHE 65 N -0.53 1.21 -0.88 0.56 3.04 -1.99 -2.91 116.94 115.44 1kk8 h PHE 65 Ca -0.45 0.02 0.14 0.00 3.98 0.00 0.00 57.97 61.66 1kk8 h PHE 65 Cb 1.28 -0.41 -0.07 0.00 2.56 0.00 0.00 35.95 39.31 1kk8 h PHE 65 CO 0.44 0.77 0.57 0.93 -2.02 0.00 0.00 178.31 178.99 1kk8 h GLU 66 N 1.30 0.67 0.00 1.11 4.39 -1.95 -0.75 114.58 119.35 1kk8 h GLU 66 Ca 0.35 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 1kk8 h GLU 66 Cb -0.13 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.36 1kk8 h GLU 66 CO -0.07 0.45 -0.26 0.93 -1.16 0.00 0.00 179.01 178.90 1kk8 h GLU 67 N 0.69 0.00 0.27 2.33 5.08 -1.90 -3.35 114.58 117.70 1kk8 h GLU 67 Ca 0.43 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1kk8 h GLU 67 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1kk8 h GLU 67 CO -0.19 0.17 -0.13 0.35 -1.00 0.00 0.00 179.01 178.21 1kk8 h PHE 68 N 0.00 -0.34 -0.94 4.33 3.57 -1.03 -3.19 116.94 119.33 1kk8 h PHE 68 Ca -0.01 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.66 1kk8 h PHE 68 Cb 1.14 0.11 -0.17 0.00 2.79 0.00 0.00 35.95 39.82 1kk8 h PHE 68 CO 0.00 0.02 -0.27 -0.11 -2.23 0.00 0.00 178.31 175.72 1kk8 n LEU 69 N -5.07 -0.42 0.03 0.59 0.00 -1.00 0.38 117.00 111.51 1kk8 n LEU 69 Ca -0.09 1.63 -0.12 0.00 0.00 0.00 0.00 56.01 57.43 1kk8 n LEU 69 Cb 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 43.42 43.15 1kk8 n LEU 69 CO 0.29 -1.54 0.81 -0.65 0.00 0.00 0.00 177.39 176.30 1kk8 h PRO 70 N 0.00 -0.02 -0.99 1.96 0.11 -1.74 0.89 132.00 132.21 1kk8 h PRO 70 Ca 0.42 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.64 1kk8 h PRO 70 Cb 0.65 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.69 1kk8 h PRO 70 CO -0.96 0.11 0.63 0.00 -0.21 0.00 0.00 178.00 177.56 1kk8 h ALA 71 N 0.85 1.54 0.50 -0.75 0.00 -0.74 0.12 119.26 120.78 1kk8 h ALA 71 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1kk8 h ALA 71 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1kk8 h ALA 71 CO 0.00 0.23 -0.24 -0.92 0.00 0.00 0.00 179.25 178.32 1kk8 h TYR 72 N 0.99 -0.63 -0.71 0.00 3.20 0.46 -1.60 116.97 118.69 1kk8 h TYR 72 Ca 0.48 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.54 1kk8 h TYR 72 Cb 0.46 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1kk8 h TYR 72 CO -0.00 -0.30 0.52 0.93 -1.64 0.00 0.00 178.16 177.66 1kk8 h GLU 73 N -0.95 0.00 -0.05 1.82 5.08 -0.27 0.31 114.58 120.51 1kk8 h GLU 73 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1kk8 h GLU 73 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1kk8 h GLU 73 CO 0.11 0.00 -0.04 0.78 -1.00 0.00 0.00 179.01 178.86 1kk8 h GLY 74 N 0.00 0.13 2.00 -3.84 0.00 -0.52 -3.05 103.07 97.80 1kk8 h GLY 74 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1kk8 h GLY 74 CO -0.00 0.12 0.00 1.41 0.00 0.00 0.00 176.54 178.07 1kk8 h LEU 75 N -0.31 0.00 -0.57 3.11 3.38 0.03 -1.79 115.31 119.16 1kk8 h LEU 75 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1kk8 h LEU 75 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1kk8 h LEU 75 CO 0.01 0.00 -0.16 0.24 0.09 0.00 0.00 178.44 178.62 1kk8 h MET 76 N 0.00 0.00 0.15 1.13 2.86 -1.16 -3.24 114.93 114.66 1kk8 h MET 76 Ca 0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1kk8 h MET 76 Cb 0.26 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.95 1kk8 h MET 76 CO 0.00 0.16 -1.29 -0.44 1.06 0.00 0.00 176.91 176.40 1kk8 h ASP 77 N 0.00 0.82 -3.24 1.22 5.19 -1.35 -3.47 116.42 115.59 1kk8 h ASP 77 Ca -0.00 -0.79 -0.57 0.00 -0.62 0.00 0.00 57.03 55.04 1kk8 h ASP 77 Cb 0.92 -0.26 0.17 0.00 0.18 0.00 0.00 39.33 40.34 1kk8 h ASP 77 CO 0.02 1.60 -0.19 0.00 -3.12 0.00 0.00 179.24 177.55 1kk8 s GLU 79 N -2.45 4.23 -0.16 0.00 2.12 -1.26 -5.03 118.70 116.15 1kk8 s GLU 79 Ca 0.72 2.37 -0.04 0.00 0.36 0.00 0.00 54.97 58.37 1kk8 s GLU 79 Cb -0.42 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 1kk8 s GLU 79 CO 0.51 -0.51 -0.02 1.14 -0.54 0.00 0.00 175.26 175.85 1kk8 s GLN 80 N 0.00 3.69 0.39 4.30 1.03 -1.26 -4.96 119.66 122.85 1kk8 s GLN 80 Ca 0.63 -0.48 -0.26 0.00 0.04 0.00 0.00 55.36 55.28 1kk8 s GLN 80 Cb -0.43 -2.96 -0.09 0.00 0.03 0.00 0.00 33.01 29.56 1kk8 s GLN 80 CO 0.41 0.27 1.26 0.20 -2.54 0.00 0.00 175.29 174.89 1kk8 s GLY 81 N 0.29 2.93 0.53 2.60 0.00 -1.26 -5.04 107.32 107.36 1kk8 s GLY 81 Ca -0.02 1.15 0.09 0.00 0.00 0.00 0.00 44.72 45.94 1kk8 s GLY 81 CO 0.02 1.73 0.70 -0.51 0.00 0.00 0.00 173.10 175.04 1kk8 s THR 82 N -1.28 2.33 0.06 0.90 -4.23 -1.26 -5.01 115.64 107.14 1kk8 s THR 82 Ca 0.55 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 1kk8 s THR 82 Cb -0.36 -2.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.99 1kk8 s THR 82 CO 0.46 0.00 1.48 0.15 -0.54 0.00 0.00 174.62 176.18 1kk8 h PHE 83 N 0.35 0.31 -0.00 3.99 3.57 -1.99 -2.85 116.94 120.33 1kk8 h PHE 83 Ca -0.33 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 1kk8 h PHE 83 Cb 1.29 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1kk8 h PHE 83 CO 0.47 0.51 -0.24 0.00 -2.23 0.00 0.00 178.31 176.82 1kk8 h ALA 84 N 0.76 1.60 -0.44 2.41 0.00 -1.99 -1.93 119.26 119.67 1kk8 h ALA 84 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1kk8 h ALA 84 Cb 0.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1kk8 h ALA 84 CO 0.01 0.30 -0.01 -0.44 0.00 0.00 0.00 179.25 179.11 1kk8 h ASP 85 N 0.00 0.77 -0.53 0.00 3.45 -1.92 -2.61 116.42 115.57 1kk8 h ASP 85 Ca -0.00 -0.31 -0.12 0.00 0.43 0.00 0.00 57.03 57.03 1kk8 h ASP 85 Cb 0.43 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1kk8 h ASP 85 CO 0.03 0.89 -0.13 1.88 -1.57 0.00 0.00 179.24 180.35 1kk8 h TYR 86 N 0.62 1.16 -0.06 4.55 0.05 -1.23 -2.42 116.97 119.64 1kk8 h TYR 86 Ca 0.12 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 1kk8 h TYR 86 Cb 0.51 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1kk8 h TYR 86 CO 0.04 1.08 0.02 0.52 -1.05 0.00 0.00 178.16 178.77 1kk8 h MET 87 N 0.90 0.09 -0.30 4.88 2.86 -1.35 -0.60 114.93 121.41 1kk8 h MET 87 Ca 0.13 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1kk8 h MET 87 Cb 0.70 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1kk8 h MET 87 CO 0.05 0.25 0.07 0.93 1.06 0.00 0.00 176.91 179.28 1kk8 h GLU 88 N -0.10 0.18 -0.34 1.72 4.39 -1.48 0.49 114.58 119.45 1kk8 h GLU 88 Ca 0.02 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1kk8 h GLU 88 Cb 0.20 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1kk8 h GLU 88 CO -0.00 0.12 0.08 0.00 -1.16 0.00 0.00 179.01 178.04 1kk8 h ALA 89 N 1.21 0.36 -0.17 3.43 0.00 -1.26 -1.26 119.26 121.58 1kk8 h ALA 89 Ca 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1kk8 h ALA 89 Cb 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1kk8 h ALA 89 CO -0.17 -0.33 -0.27 0.74 0.00 0.00 0.00 179.25 179.22 1kk8 h PHE 90 N 0.20 0.35 -0.51 0.00 0.04 -0.57 -2.12 116.94 114.33 1kk8 h PHE 90 Ca 0.16 -0.07 0.09 0.00 2.80 0.00 0.00 57.97 60.95 1kk8 h PHE 90 Cb 0.17 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1kk8 h PHE 90 CO -0.18 0.56 0.35 0.87 -0.60 0.00 0.00 178.31 179.31 1kk8 h LYS 91 N 0.28 0.29 0.00 1.51 1.57 0.11 -0.17 116.57 120.17 1kk8 h LYS 91 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1kk8 h LYS 91 Cb 0.62 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1kk8 h LYS 91 CO 0.05 0.19 -0.06 1.79 -0.57 0.00 0.00 179.45 180.85 1kk8 h THR 92 N 0.30 0.55 -0.02 -0.16 1.35 -0.67 -2.13 112.91 112.13 1kk8 h THR 92 Ca 0.23 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1kk8 h THR 92 Cb 0.53 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1kk8 h THR 92 CO -0.05 0.06 -0.20 0.49 -0.25 0.00 0.00 175.52 175.57 1kk8 n PHE 93 N -3.74 0.00 -3.10 4.73 3.01 -0.09 -4.81 117.46 113.47 1kk8 n PHE 93 Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 1kk8 n PHE 93 Cb 0.16 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.58 1kk8 n PHE 93 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1kk8 s ASP 94 N -2.23 6.38 0.02 4.37 2.15 -0.80 -4.93 116.67 121.63 1kk8 s ASP 94 Ca 0.26 -1.77 -0.25 0.00 0.43 0.00 0.00 52.55 51.21 1kk8 s ASP 94 Cb 0.19 -2.31 -0.17 0.00 -0.30 0.00 0.00 42.92 40.33 1kk8 s ASP 94 CO 0.43 -1.03 1.37 0.03 -0.17 0.00 0.00 175.17 175.80 1kk8 h ARG 95 N 8.88 -0.27 0.00 4.34 3.08 -1.87 -3.10 114.38 125.44 1kk8 h ARG 95 Ca -0.12 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1kk8 h ARG 95 Cb 1.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1kk8 h ARG 95 CO 1.05 0.02 0.00 -1.91 -1.07 0.00 0.00 179.97 178.06 1kk8 n GLU 96 N -5.09 0.20 -3.66 0.04 4.07 -1.26 -4.91 120.64 110.03 1kk8 n GLU 96 Ca -0.09 0.39 -0.25 0.00 -0.06 0.00 0.00 57.16 57.15 1kk8 n GLU 96 Cb 0.22 -1.85 0.07 0.00 -0.06 0.00 0.00 31.44 29.82 1kk8 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1kk8 n GLY 97 N 0.18 -0.51 0.00 8.31 0.00 -1.17 -4.90 105.19 107.10 1kk8 n GLY 97 Ca 0.03 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1kk8 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kk8 n GLN 98 N -4.84 1.23 0.00 1.61 1.13 -1.26 -4.97 117.38 110.28 1kk8 n GLN 98 Ca -0.02 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1kk8 n GLN 98 Cb 0.57 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.64 1kk8 n GLN 98 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kk8 n GLY 99 N 1.52 1.24 3.50 1.08 0.00 -1.26 -5.11 105.19 106.16 1kk8 n GLY 99 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1kk8 n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kk8 s PHE 100 N -2.00 2.64 -0.12 1.61 0.08 -1.26 -2.71 117.98 116.22 1kk8 s PHE 100 Ca 0.00 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 1kk8 s PHE 100 Cb 0.00 -1.46 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1kk8 s PHE 100 CO 0.00 0.32 0.31 -1.50 -0.10 0.00 0.00 175.22 174.26 1kk8 s ILE 101 N -1.02 -0.01 0.58 0.64 2.07 -0.96 -4.76 121.20 117.74 1kk8 s ILE 101 Ca 0.17 0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.25 1kk8 s ILE 101 Cb -0.11 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 1kk8 s ILE 101 CO 0.08 0.01 1.17 -0.94 -1.91 0.00 0.00 174.94 173.36 1kk8 s SER 102 N 0.44 5.38 0.28 4.50 1.04 -1.26 -0.76 113.70 123.32 1kk8 s SER 102 Ca -0.02 2.30 0.02 0.00 0.48 0.00 0.00 55.95 58.72 1kk8 s SER 102 Cb -0.04 -2.59 0.60 0.00 0.10 0.00 0.00 66.02 64.09 1kk8 s SER 102 CO -0.02 -1.46 1.78 1.23 0.98 0.00 0.00 173.24 175.76 1kk8 h GLY 103 N 0.97 1.58 0.98 7.32 0.00 -1.47 -0.07 103.07 112.37 1kk8 h GLY 103 Ca -0.50 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1kk8 h GLY 103 CO 0.56 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.36 1kk8 h ALA 104 N 1.58 0.69 -0.36 3.60 0.00 -1.91 -0.18 119.26 122.69 1kk8 h ALA 104 Ca 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1kk8 h ALA 104 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1kk8 h ALA 104 CO -0.35 0.25 0.06 1.49 0.00 0.00 0.00 179.25 180.71 1kk8 h GLU 105 N 0.72 0.59 -0.39 0.00 4.81 -1.53 0.14 114.58 118.92 1kk8 h GLU 105 Ca 0.18 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1kk8 h GLU 105 Cb 0.12 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1kk8 h GLU 105 CO -0.02 0.66 0.09 1.25 -0.73 0.00 0.00 179.01 180.26 1kk8 h LEU 106 N 0.43 0.05 -1.02 1.64 5.85 -0.77 -0.32 115.31 121.15 1kk8 h LEU 106 Ca 0.11 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1kk8 h LEU 106 Cb 0.36 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1kk8 h LEU 106 CO 0.01 0.06 0.35 -0.09 -0.34 0.00 0.00 178.44 178.43 1kk8 h ARG 107 N 0.23 1.04 -0.17 1.25 2.43 -0.72 -2.29 114.38 116.16 1kk8 h ARG 107 Ca 0.19 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1kk8 h ARG 107 Cb 0.21 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1kk8 h ARG 107 CO -0.23 0.81 0.11 1.25 -1.51 0.00 0.00 179.97 180.40 1kk8 h HIS 108 N 1.04 0.21 -0.55 2.20 2.76 0.40 -0.97 115.15 120.23 1kk8 h HIS 108 Ca 0.25 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1kk8 h HIS 108 Cb 0.11 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1kk8 h HIS 108 CO 0.01 0.13 0.36 0.28 -1.30 0.00 0.00 177.93 177.41 1kk8 h VAL 109 N 0.23 1.14 -0.06 5.26 2.07 -0.86 0.27 116.25 124.30 1kk8 h VAL 109 Ca 0.06 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 1kk8 h VAL 109 Cb -0.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1kk8 h VAL 109 CO -0.02 0.13 -0.67 -0.07 0.02 0.00 0.00 177.57 176.97 1kk8 h LEU 110 N 0.74 0.30 0.00 2.57 3.38 -1.31 -2.66 115.31 118.33 1kk8 h LEU 110 Ca 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kk8 h LEU 110 Cb -0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1kk8 h LEU 110 CO -0.04 0.88 -1.41 0.35 0.09 0.00 0.00 178.44 178.30 1kk8 n THR 111 N -3.83 0.16 0.02 0.22 -2.24 -0.38 -1.17 114.28 107.06 1kk8 n THR 111 Ca -0.03 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1kk8 n THR 111 Cb 0.66 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1kk8 n THR 111 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kk8 n ALA 112 N -2.03 2.07 -2.26 6.98 0.00 0.93 -4.38 120.51 121.81 1kk8 n ALA 112 Ca -0.01 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 1kk8 n ALA 112 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 1kk8 n ALA 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kk8 s LEU 113 N -2.66 3.16 0.00 0.00 1.43 -1.00 -4.89 118.68 114.73 1kk8 s LEU 113 Ca -0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1kk8 s LEU 113 Cb 0.01 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1kk8 s LEU 113 CO 0.04 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1kk8 n GLY 114 N -1.66 1.56 3.46 -3.19 0.00 -1.26 -2.98 105.19 101.12 1kk8 n GLY 114 Ca 0.03 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1kk8 n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kk8 s GLU 115 N 0.00 3.34 0.50 1.61 2.02 -1.26 -4.99 118.70 119.92 1kk8 s GLU 115 Ca 0.00 -1.25 -0.19 0.00 0.02 0.00 0.00 54.97 53.55 1kk8 s GLU 115 Cb 0.00 -4.59 -0.13 0.00 0.10 0.00 0.00 34.13 29.51 1kk8 s GLU 115 CO 0.00 -1.82 0.12 0.54 0.02 0.00 0.00 175.26 174.13 1kk8 n ARG 116 N 7.26 0.17 -4.10 1.61 1.74 -1.16 -5.01 116.66 117.16 1kk8 n ARG 116 Ca 0.10 0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 1kk8 n ARG 116 Cb 0.47 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 1kk8 n ARG 116 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1kk8 s LEU 117 N 3.60 3.28 0.44 0.55 1.43 -0.32 -5.00 118.68 122.66 1kk8 s LEU 117 Ca 0.61 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1kk8 s LEU 117 Cb -0.51 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1kk8 s LEU 117 CO 0.62 -0.27 0.65 -0.94 0.23 0.00 0.00 176.35 176.64 1kk8 s SER 118 N -3.84 5.78 0.57 2.29 1.04 -1.26 -4.38 113.70 113.90 1kk8 s SER 118 Ca 0.37 0.15 0.34 0.00 0.48 0.00 0.00 55.95 57.29 1kk8 s SER 118 Cb -0.03 -1.38 1.67 0.00 0.10 0.00 0.00 66.02 66.38 1kk8 s SER 118 CO 0.23 -0.71 2.12 0.44 0.98 0.00 0.00 173.24 176.29 1kk8 h ASP 119 N 0.45 0.00 0.10 7.02 3.32 -1.98 -2.11 116.42 123.23 1kk8 h ASP 119 Ca -0.45 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.35 1kk8 h ASP 119 Cb 1.26 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.83 1kk8 h ASP 119 CO 0.56 0.06 -1.03 -0.33 -1.72 0.00 0.00 179.24 176.78 1kk8 h GLU 120 N 0.00 0.51 -0.37 3.56 3.07 -1.99 -2.41 114.58 116.96 1kk8 h GLU 120 Ca -0.00 -0.69 -0.04 0.00 -0.50 0.00 0.00 59.36 58.13 1kk8 h GLU 120 Cb 0.31 0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1kk8 h GLU 120 CO 0.01 1.30 0.06 -0.44 -1.40 0.00 0.00 179.01 178.53 1kk8 h ASP 121 N 0.06 0.51 -0.20 1.42 3.45 -1.85 0.88 116.42 120.69 1kk8 h ASP 121 Ca -0.16 -0.08 -0.17 0.00 0.43 0.00 0.00 57.03 57.05 1kk8 h ASP 121 Cb 1.74 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.38 1kk8 h ASP 121 CO 0.20 0.54 -0.54 0.58 -1.57 0.00 0.00 179.24 178.46 1kk8 h VAL 122 N 0.54 1.31 -0.21 -1.35 2.07 -1.44 -1.09 116.25 116.08 1kk8 h VAL 122 Ca 0.12 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 1kk8 h VAL 122 Cb 0.26 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1kk8 h VAL 122 CO 0.00 0.55 0.13 0.44 0.02 0.00 0.00 177.57 178.71 1kk8 h ASP 123 N 0.43 0.25 -0.23 0.57 3.45 -1.08 -0.96 116.42 118.85 1kk8 h ASP 123 Ca -0.01 -0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.43 1kk8 h ASP 123 Cb 1.15 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 1kk8 h ASP 123 CO 0.12 0.23 0.08 -0.08 -1.57 0.00 0.00 179.24 178.01 1kk8 h GLU 124 N 0.26 0.18 -0.17 3.56 4.81 -0.78 -1.06 114.58 121.38 1kk8 h GLU 124 Ca 0.08 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1kk8 h GLU 124 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1kk8 h GLU 124 CO -0.01 0.12 -0.40 0.97 -0.73 0.00 0.00 179.01 178.95 1kk8 h ILE 125 N 0.18 1.31 -0.39 2.32 6.09 -1.09 -1.09 117.51 124.84 1kk8 h ILE 125 Ca 0.10 -1.54 -0.04 0.00 -1.37 0.00 0.00 64.86 62.01 1kk8 h ILE 125 Cb 0.07 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 38.96 1kk8 h ILE 125 CO -0.10 0.47 0.08 0.40 -3.07 0.00 0.00 178.15 175.93 1kk8 h ILE 126 N 0.32 1.23 -0.33 2.19 2.04 -0.90 -1.65 117.51 120.42 1kk8 h ILE 126 Ca 0.03 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1kk8 h ILE 126 Cb 0.85 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1kk8 h ILE 126 CO 0.07 0.28 0.00 0.11 0.00 0.00 0.00 178.15 178.61 1kk8 h LYS 127 N 0.49 0.57 -0.16 2.37 1.57 -1.04 -0.50 116.57 119.88 1kk8 h LYS 127 Ca 0.12 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1kk8 h LYS 127 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1kk8 h LYS 127 CO 0.00 0.70 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.41 1kk8 h LEU 128 N 0.38 0.23 -0.46 2.94 -0.00 -1.12 -1.28 115.31 115.99 1kk8 h LEU 128 Ca 0.09 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1kk8 h LEU 128 Cb 0.44 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1kk8 h LEU 128 CO 0.02 0.37 -0.43 0.35 -0.00 0.00 0.00 178.44 178.75 1kk8 n THR 129 N -4.29 0.00 -3.54 0.22 -2.24 -0.63 -4.94 114.28 98.85 1kk8 n THR 129 Ca -0.01 -0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 1kk8 n THR 129 Cb 0.25 0.62 0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1kk8 n THR 129 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1kk8 n ASP 130 N -0.76 -6.05 -4.69 3.42 5.68 -0.33 -4.92 116.55 108.92 1kk8 n ASP 130 Ca 0.09 -0.53 -0.42 0.00 -0.50 0.00 0.00 54.79 53.43 1kk8 n ASP 130 Cb 0.37 -4.79 -0.03 0.00 -1.14 0.00 0.00 41.12 35.54 1kk8 n ASP 130 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1kk8 s LEU 131 N -7.18 4.26 0.04 -2.12 2.96 -0.42 -5.02 118.68 111.19 1kk8 s LEU 131 Ca 0.55 1.70 0.05 0.00 -0.22 0.00 0.00 54.13 56.21 1kk8 s LEU 131 Cb -0.25 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.86 1kk8 s LEU 131 CO 0.68 -0.54 -0.15 0.00 -1.32 0.00 0.00 176.35 175.01 1kk8 s GLN 132 N 2.20 1.03 0.14 1.98 -2.07 -1.26 -4.85 119.66 116.84 1kk8 s GLN 132 Ca 0.53 -0.77 -0.05 0.00 -1.82 0.00 0.00 55.36 53.25 1kk8 s GLN 132 Cb -0.22 -1.06 -0.06 0.00 -1.09 0.00 0.00 33.01 30.58 1kk8 s GLN 132 CO 0.20 0.27 0.37 -1.83 -1.32 0.00 0.00 175.29 172.98 1kk8 s GLU 133 N -1.09 3.62 0.00 9.60 -1.05 -1.26 -4.82 118.70 123.70 1kk8 s GLU 133 Ca 0.03 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.76 1kk8 s GLU 133 Cb -0.08 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 1kk8 s GLU 133 CO 0.01 0.47 0.00 -0.40 0.95 0.00 0.00 175.26 176.29 1kk8 n ASP 134 N 0.09 -1.03 0.20 0.83 5.68 -0.54 -4.74 116.55 117.04 1kk8 n ASP 134 Ca -0.02 -0.25 0.05 0.00 -0.50 0.00 0.00 54.79 54.06 1kk8 n ASP 134 Cb 0.52 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.92 1kk8 n ASP 134 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1kk8 h LEU 135 N 0.00 0.00 -0.57 -2.12 4.07 -1.99 -1.90 115.31 112.80 1kk8 h LEU 135 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1kk8 h LEU 135 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1kk8 h LEU 135 CO 0.00 0.32 0.00 -0.33 -1.08 0.00 0.00 178.44 177.35 1kk8 h GLU 136 N 0.00 0.00 0.00 1.13 4.39 -2.05 -3.46 114.58 114.59 1kk8 h GLU 136 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1kk8 h GLU 136 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1kk8 h GLU 136 CO 0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1kk8 n GLY 137 N 0.65 1.09 3.75 -3.84 0.00 -0.71 -5.00 105.19 101.12 1kk8 n GLY 137 Ca 0.03 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1kk8 n GLY 137 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kk8 s ASN 138 N -2.46 5.06 0.23 1.61 -0.87 -1.26 -1.20 114.94 116.05 1kk8 s ASN 138 Ca 0.00 -0.47 0.05 0.00 -1.57 0.00 0.00 52.86 50.87 1kk8 s ASN 138 Cb 0.00 -1.09 -0.05 0.00 -0.02 0.00 0.00 41.25 40.09 1kk8 s ASN 138 CO 0.00 -0.08 -0.05 0.68 -2.57 0.00 0.00 177.10 175.08 1kk8 s VAL 139 N -2.25 1.30 -0.64 1.60 -7.23 0.06 -1.46 120.40 111.78 1kk8 s VAL 139 Ca 0.34 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 1kk8 s VAL 139 Cb -0.07 -2.28 0.16 0.00 0.56 0.00 0.00 36.38 34.75 1kk8 s VAL 139 CO 0.23 -0.40 0.61 -0.54 -0.31 0.00 0.00 175.10 174.69 1kk8 s LYS 140 N -3.79 3.20 0.59 4.82 -0.14 -1.26 -2.27 119.74 120.90 1kk8 s LYS 140 Ca 0.27 -1.92 0.30 0.00 -1.36 0.00 0.00 55.97 53.25 1kk8 s LYS 140 Cb 0.04 -4.35 1.76 0.00 -1.68 0.00 0.00 37.83 33.60 1kk8 s LYS 140 CO 0.08 -1.34 2.17 0.10 -0.76 0.00 0.00 175.35 175.61 1kk8 h TYR 141 N 8.56 0.00 -0.23 3.18 -0.00 -1.85 -1.89 116.97 124.73 1kk8 h TYR 141 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.47 1kk8 h TYR 141 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.80 1kk8 h TYR 141 CO 0.84 0.00 -0.28 1.49 -0.00 0.00 0.00 178.16 180.21 1kk8 h GLU 142 N 0.00 0.46 -0.20 0.10 4.81 -1.92 0.17 114.58 118.00 1kk8 h GLU 142 Ca 0.04 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.91 1kk8 h GLU 142 Cb 0.27 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1kk8 h GLU 142 CO -0.00 0.70 -0.60 -0.44 -0.73 0.00 0.00 179.01 177.93 1kk8 h ASP 143 N 0.40 0.87 -0.43 1.04 3.32 -1.73 -2.44 116.42 117.44 1kk8 h ASP 143 Ca 0.06 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 1kk8 h ASP 143 Cb 0.70 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1kk8 h ASP 143 CO 0.05 1.31 0.19 0.15 -1.72 0.00 0.00 179.24 179.23 1kk8 h PHE 144 N 0.48 0.64 -0.51 4.55 3.57 -1.32 0.06 116.94 124.42 1kk8 h PHE 144 Ca -0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1kk8 h PHE 144 Cb 1.22 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1kk8 h PHE 144 CO 0.09 0.53 0.26 0.28 -2.23 0.00 0.00 178.31 177.25 1kk8 h VAL 145 N 0.56 1.16 -0.47 1.41 2.07 -0.95 -1.71 116.25 118.33 1kk8 h VAL 145 Ca 0.15 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1kk8 h VAL 145 Cb 0.15 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1kk8 h VAL 145 CO -0.02 0.18 -0.08 0.11 0.02 0.00 0.00 177.57 177.79 1kk8 h LYS 146 N 0.70 0.88 -0.53 1.57 1.57 -0.88 -1.94 116.57 117.96 1kk8 h LYS 146 Ca 0.18 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1kk8 h LYS 146 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1kk8 h LYS 146 CO -0.03 0.96 0.06 0.87 -0.57 0.00 0.00 179.45 180.74 1kk8 h LYS 147 N 0.73 0.89 -0.12 3.15 1.79 -0.45 -1.53 116.57 121.02 1kk8 h LYS 147 Ca 0.12 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1kk8 h LYS 147 Cb 0.61 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1kk8 h LYS 147 CO 0.04 0.88 -0.01 0.28 -1.08 0.00 0.00 179.45 179.56 1kk8 h VAL 148 N 0.77 1.26 0.00 0.50 2.07 -1.29 -2.91 116.25 116.65 1kk8 h VAL 148 Ca 0.16 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1kk8 h VAL 148 Cb 0.44 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1kk8 h VAL 148 CO 0.02 0.25 -0.09 0.24 0.02 0.00 0.00 177.57 178.00 1kk8 h MET 149 N -0.06 0.00 0.00 1.57 2.86 -1.31 -2.90 114.93 115.09 1kk8 h MET 149 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1kk8 h MET 149 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1kk8 h MET 149 CO 0.01 0.09 -0.33 0.00 1.06 0.00 0.00 176.91 177.73 1kk8 h ALA 150 N 1.91 0.81 0.00 6.32 0.00 -1.08 -3.50 119.26 123.71 1kk8 h ALA 150 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kk8 h ALA 150 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1kk8 h ALA 150 CO 0.01 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.01 1kk8 n GLY 151 N 1.17 -0.11 0.35 0.00 0.00 -1.10 -4.45 105.19 101.06 1kk8 n GLY 151 Ca 0.02 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.46 1kk8 n GLY 151 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kk8 h PRO 152 N 0.00 0.16 -3.27 1.61 0.11 -1.89 -3.29 132.00 125.43 1kk8 h PRO 152 Ca 0.00 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.44 1kk8 h PRO 152 Cb 0.00 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 30.69 1kk8 h PRO 152 CO 0.00 0.10 -0.40 0.71 -0.21 0.00 0.00 178.00 178.21 1kk8 s TYR 153 N -5.17 3.59 -2.00 0.65 2.02 -1.26 -5.14 117.35 110.04 1kk8 s TYR 153 Ca -0.06 -3.13 0.20 0.00 -0.37 0.00 0.00 57.07 53.72 1kk8 s TYR 153 Cb 0.19 -2.97 1.21 0.00 -0.40 0.00 0.00 41.96 40.00 1kk8 s TYR 153 CO 0.73 -0.68 1.60 -0.35 -1.57 0.00 0.00 175.55 175.28