#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk4 n SER 3 N 0.00 0.00 -4.92 0.00 7.64 -1.26 -4.77 113.62 110.31 1qk4 n SER 3 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1qk4 n SER 3 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1qk4 n SER 3 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1qk4 s LYS 4 N 0.00 3.52 0.26 1.43 2.20 -1.26 -5.06 119.74 120.82 1qk4 s LYS 4 Ca 0.00 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 1qk4 s LYS 4 Cb 0.00 -2.92 -0.11 0.00 -1.51 0.00 0.00 37.83 33.29 1qk4 s LYS 4 CO 0.00 0.51 1.59 -2.14 -0.36 0.00 0.00 175.35 174.94 1qk4 s PRO 5 N -2.81 4.15 0.29 4.03 0.02 -1.26 -4.65 135.00 134.78 1qk4 s PRO 5 Ca 0.38 2.52 -0.02 0.00 0.02 0.00 0.00 61.00 63.89 1qk4 s PRO 5 Cb -0.12 -3.06 0.41 0.00 0.02 0.00 0.00 34.50 31.75 1qk4 s PRO 5 CO 0.27 -0.62 1.93 0.82 -0.33 0.00 0.00 177.00 179.08 1qk4 h ILE 6 N 3.54 1.22 0.00 2.83 1.08 -1.94 -1.42 117.51 122.82 1qk4 h ILE 6 Ca -0.46 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1qk4 h ILE 6 Cb 1.22 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1qk4 h ILE 6 CO 0.83 0.23 0.00 1.05 -0.69 0.00 0.00 178.15 179.57 1qk4 h GLU 7 N 1.08 0.00 -0.03 2.37 9.09 -1.99 -1.85 114.58 123.26 1qk4 h GLU 7 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 1qk4 h GLU 7 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1qk4 h GLU 7 CO -0.05 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.76 1qk4 n ASP 8 N -2.42 1.01 -4.69 3.06 8.00 -0.53 -4.89 116.55 116.08 1qk4 n ASP 8 Ca -0.01 -1.38 -0.42 0.00 0.71 0.00 0.00 54.79 53.69 1qk4 n ASP 8 Cb 0.08 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1qk4 n ASP 8 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1qk4 s TYR 9 N -1.97 2.24 0.00 1.24 5.04 -0.70 -1.70 117.35 121.50 1qk4 s TYR 9 Ca 0.39 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 1qk4 s TYR 9 Cb 0.20 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.41 1qk4 s TYR 9 CO 0.33 -4.53 0.00 0.41 -1.34 0.00 0.00 175.55 170.42 1qk4 n GLY 10 N 4.15 0.76 0.02 8.97 0.00 -1.26 -4.89 105.19 112.94 1qk4 n GLY 10 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1qk4 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qk4 n LYS 11 N -2.00 0.24 -3.45 1.61 5.02 -0.69 -0.07 118.16 118.82 1qk4 n LYS 11 Ca 0.00 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 1qk4 n LYS 11 Cb 0.00 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1qk4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qk4 n GLY 12 N 1.40 -0.51 3.67 0.72 0.00 -1.19 -4.74 105.19 104.55 1qk4 n GLY 12 Ca 0.02 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1qk4 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qk4 s LYS 13 N -6.14 4.22 -0.01 1.61 2.20 -1.26 -2.22 119.74 118.13 1qk4 s LYS 13 Ca 0.48 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1qk4 s LYS 13 Cb -0.23 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1qk4 s LYS 13 CO 0.59 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1qk4 n GLY 14 N 3.88 0.42 3.76 5.54 0.00 -1.26 -5.01 105.19 112.52 1qk4 n GLY 14 Ca 0.15 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1qk4 n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qk4 s ARG 15 N -0.41 1.90 -0.24 1.61 1.70 -0.94 -5.00 118.95 117.57 1qk4 s ARG 15 Ca 0.00 0.90 -0.22 0.00 -0.47 0.00 0.00 55.73 55.94 1qk4 s ARG 15 Cb 0.00 -1.88 -0.01 0.00 -0.57 0.00 0.00 34.95 32.49 1qk4 s ARG 15 CO 0.00 -1.82 0.73 0.42 -1.08 0.00 0.00 175.30 173.55 1qk4 s ILE 16 N -2.98 4.92 0.63 4.99 1.01 -1.26 -5.03 121.20 123.48 1qk4 s ILE 16 Ca 0.62 1.36 -0.18 0.00 0.00 0.00 0.00 60.65 62.44 1qk4 s ILE 16 Cb -0.17 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1qk4 s ILE 16 CO 0.56 -0.01 1.15 -0.62 0.00 0.00 0.00 174.94 176.02 1qk4 n GLU 17 N 5.74 1.02 -1.65 2.79 -0.58 -1.26 -4.72 120.64 121.98 1qk4 n GLU 17 Ca 0.02 0.40 -0.30 0.00 -0.42 0.00 0.00 57.16 56.87 1qk4 n GLU 17 Cb 0.48 -2.37 0.09 0.00 -0.57 0.00 0.00 31.44 29.07 1qk4 n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qk4 s PRO 18 N -3.10 2.12 0.20 3.49 0.04 -1.26 -4.98 135.00 131.51 1qk4 s PRO 18 Ca 0.80 0.51 -0.32 0.00 0.04 0.00 0.00 61.00 62.02 1qk4 s PRO 18 Cb -0.40 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.09 1qk4 s PRO 18 CO 0.43 -1.57 1.72 -0.12 0.04 0.00 0.00 177.00 177.50 1qk4 n MET 19 N -3.37 2.70 -3.55 4.56 0.00 -0.75 -4.69 117.12 112.02 1qk4 n MET 19 Ca 0.07 0.98 -0.41 0.00 -0.00 0.00 0.00 57.70 58.33 1qk4 n MET 19 Cb 0.57 -2.82 -0.11 0.00 0.00 0.00 0.00 33.22 30.87 1qk4 n MET 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1qk4 s TYR 20 N 1.25 3.23 -0.33 1.12 5.04 -1.26 -0.15 117.35 126.25 1qk4 s TYR 20 Ca 0.76 -0.69 -0.17 0.00 -2.44 0.00 0.00 57.07 54.54 1qk4 s TYR 20 Cb -0.53 -2.49 -0.01 0.00 0.35 0.00 0.00 41.96 39.28 1qk4 s TYR 20 CO 0.33 -0.57 0.46 0.42 -1.34 0.00 0.00 175.55 174.85 1qk4 s ILE 21 N 1.63 5.08 0.69 3.14 -1.09 -0.60 -4.96 121.20 125.09 1qk4 s ILE 21 Ca 0.04 0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.63 1qk4 s ILE 21 Cb -0.19 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1qk4 s ILE 21 CO 0.08 -0.12 1.21 -2.84 -1.23 0.00 0.00 174.94 172.05 1qk4 s PRO 22 N 2.25 2.38 0.60 2.79 0.02 -1.26 -4.34 135.00 137.44 1qk4 s PRO 22 Ca 0.17 1.78 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 1qk4 s PRO 22 Cb -0.16 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 1qk4 s PRO 22 CO 0.12 -1.66 0.56 -0.25 -0.33 0.00 0.00 177.00 175.45 1qk4 n ASP 23 N -2.41 -0.91 -3.73 2.53 10.43 -1.26 -3.03 116.55 118.17 1qk4 n ASP 23 Ca 0.13 0.72 -0.28 0.00 2.57 0.00 0.00 54.79 57.93 1qk4 n ASP 23 Cb 0.50 -1.20 0.01 0.00 1.84 0.00 0.00 41.12 42.28 1qk4 n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1qk4 n ASN 24 N 0.26 -4.55 -4.17 -2.24 4.05 -1.26 -4.96 115.26 102.39 1qk4 n ASN 24 Ca 0.12 -0.66 -0.34 0.00 0.45 0.00 0.00 54.58 54.15 1qk4 n ASN 24 Cb 0.48 -3.67 -0.15 0.00 1.23 0.00 0.00 39.78 37.66 1qk4 n ASN 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1qk4 s THR 25 N -3.19 2.42 0.18 -0.44 2.01 -1.17 -5.09 115.64 110.36 1qk4 s THR 25 Ca 0.58 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 1qk4 s THR 25 Cb -0.29 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.20 1qk4 s THR 25 CO 0.72 0.48 0.55 0.72 -0.69 0.00 0.00 174.62 176.40 1qk4 s PHE 26 N 1.33 -0.29 0.31 4.92 -0.12 -1.26 -4.79 117.98 118.09 1qk4 s PHE 26 Ca 0.05 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.95 1qk4 s PHE 26 Cb -0.14 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1qk4 s PHE 26 CO -0.10 -0.89 0.47 0.71 -0.05 0.00 0.00 175.22 175.36 1qk4 s TYR 27 N -3.82 3.35 -0.01 3.49 2.02 0.53 -4.89 117.35 118.02 1qk4 s TYR 27 Ca 0.05 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.55 1qk4 s TYR 27 Cb -0.01 -1.84 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1qk4 s TYR 27 CO -0.07 0.16 0.72 -0.80 -1.57 0.00 0.00 175.55 173.99 1qk4 s ASN 28 N -4.07 7.09 0.56 2.29 0.01 -1.26 -0.45 114.94 119.10 1qk4 s ASN 28 Ca 0.40 1.31 0.28 0.00 -0.71 0.00 0.00 52.86 54.14 1qk4 s ASN 28 Cb -0.09 -2.43 1.63 0.00 0.41 0.00 0.00 41.25 40.77 1qk4 s ASN 28 CO 0.32 -0.03 2.17 0.00 -1.51 0.00 0.00 177.10 178.04 1qk4 h ALA 29 N 6.14 1.43 0.00 0.60 0.00 -1.66 -2.09 119.26 123.67 1qk4 h ALA 29 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qk4 h ALA 29 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1qk4 h ALA 29 CO 0.73 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.80 1qk4 n ASP 30 N -3.77 0.49 -0.06 0.00 8.00 -1.26 -1.42 116.55 118.52 1qk4 n ASP 30 Ca -0.02 0.64 0.15 0.00 0.71 0.00 0.00 54.79 56.26 1qk4 n ASP 30 Cb 0.16 -0.73 0.74 0.00 -0.02 0.00 0.00 41.12 41.26 1qk4 n ASP 30 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qk4 n ASP 31 N -2.06 0.23 -4.57 -2.24 8.00 -0.79 -4.86 116.55 110.27 1qk4 n ASP 31 Ca 0.02 -0.56 -0.27 0.00 0.71 0.00 0.00 54.79 54.69 1qk4 n ASP 31 Cb 0.18 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.04 1qk4 n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qk4 s PHE 32 N -2.38 2.44 -0.33 1.24 0.08 -0.50 -5.10 117.98 113.43 1qk4 s PHE 32 Ca 0.34 -0.57 -0.22 0.00 0.12 0.00 0.00 56.93 56.59 1qk4 s PHE 32 Cb 0.21 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1qk4 s PHE 32 CO 0.44 0.53 0.72 -1.17 -0.10 0.00 0.00 175.22 175.63 1qk4 s LEU 33 N -3.65 4.14 -0.16 -0.37 0.20 -1.26 -5.01 118.68 112.57 1qk4 s LEU 33 Ca 0.33 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.58 1qk4 s LEU 33 Cb 0.06 -2.94 -0.00 0.00 -0.43 0.00 0.00 46.19 42.87 1qk4 s LEU 33 CO 0.17 -0.61 -0.15 -0.69 -0.29 0.00 0.00 176.35 174.79 1qk4 s VAL 34 N 2.86 2.67 0.63 1.68 1.01 -1.26 -4.98 120.40 123.01 1qk4 s VAL 34 Ca 0.29 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 1qk4 s VAL 34 Cb -0.14 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 1qk4 s VAL 34 CO 0.14 0.51 1.16 -2.16 0.00 0.00 0.00 175.10 174.75 1qk4 s PRO 35 N 0.89 2.82 0.43 2.72 0.04 -1.26 -4.66 135.00 135.98 1qk4 s PRO 35 Ca -0.04 1.65 0.18 0.00 0.04 0.00 0.00 61.00 62.83 1qk4 s PRO 35 Cb -0.15 -1.93 1.10 0.00 0.04 0.00 0.00 34.50 33.56 1qk4 s PRO 35 CO -0.01 -1.28 1.88 -1.35 0.04 0.00 0.00 177.00 176.27 1qk4 h PRO 36 N 0.46 0.38 0.00 0.56 0.11 -1.99 -0.26 132.00 131.25 1qk4 h PRO 36 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1qk4 h PRO 36 Cb 1.28 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1qk4 h PRO 36 CO 0.54 0.25 -0.12 1.12 -0.21 0.00 0.00 178.00 179.58 1qk4 h HIS 37 N 0.39 0.00 0.00 0.65 2.07 -2.06 -3.19 115.15 113.01 1qk4 h HIS 37 Ca 0.44 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.87 1qk4 h HIS 37 Cb 1.10 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.07 1qk4 h HIS 37 CO -0.00 0.12 -2.01 0.00 -3.07 0.00 0.00 177.93 172.97 1qk4 h LYS 39 N 0.00 0.68 0.00 0.00 3.64 -1.09 -0.13 116.57 119.67 1qk4 h LYS 39 Ca -0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1qk4 h LYS 39 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1qk4 h LYS 39 CO 0.01 0.45 0.00 -1.35 -2.27 0.00 0.00 179.45 176.28 1qk4 h PRO 40 N 0.70 0.00 0.00 1.90 0.11 -1.83 -3.32 132.00 129.55 1qk4 h PRO 40 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1qk4 h PRO 40 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1qk4 h PRO 40 CO -0.21 0.00 -0.27 0.66 -0.21 0.00 0.00 178.00 177.97 1qk4 n TYR 41 N -3.08 0.00 -3.85 0.65 4.02 -0.09 -4.90 117.16 109.91 1qk4 n TYR 41 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 1qk4 n TYR 41 Cb 0.17 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.37 1qk4 n TYR 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1qk4 s ILE 42 N -1.36 4.65 0.00 -0.72 -1.09 -1.02 -4.38 121.20 117.28 1qk4 s ILE 42 Ca 0.01 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1qk4 s ILE 42 Cb 0.02 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1qk4 s ILE 42 CO 0.09 0.38 0.00 -0.67 -1.23 0.00 0.00 174.94 173.51 1qk4 n ASP 43 N 4.34 3.44 -4.24 3.58 2.03 -1.26 -4.80 116.55 119.64 1qk4 n ASP 43 Ca -0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.83 1qk4 n ASP 43 Cb 0.52 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.75 1qk4 n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qk4 s LYS 44 N -1.87 3.10 -0.32 -0.67 1.02 -1.26 -1.78 119.74 117.97 1qk4 s LYS 44 Ca 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 1qk4 s LYS 44 Cb 0.00 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1qk4 s LYS 44 CO 0.00 0.15 0.12 0.42 -0.92 0.00 0.00 175.35 175.11 1qk4 s ILE 45 N 0.43 4.13 0.04 2.17 -1.09 0.40 -1.26 121.20 126.02 1qk4 s ILE 45 Ca -0.16 -0.76 -0.16 0.00 -2.23 0.00 0.00 60.65 57.35 1qk4 s ILE 45 Cb -0.17 -3.19 -0.30 0.00 -1.58 0.00 0.00 42.46 37.22 1qk4 s ILE 45 CO 0.07 -0.02 1.08 0.25 -1.23 0.00 0.00 174.94 175.08 1qk4 h LEU 46 N 8.28 0.84 -7.15 2.97 5.85 -0.78 0.15 115.31 125.48 1qk4 h LEU 46 Ca -0.29 -0.84 -0.52 0.00 0.84 0.00 0.00 57.88 57.07 1qk4 h LEU 46 Cb 1.12 -0.27 -0.40 0.00 0.37 0.00 0.00 40.66 41.48 1qk4 h LEU 46 CO 0.62 1.60 -0.76 -0.76 -0.34 0.00 0.00 178.44 178.79 1qk4 s LEU 47 N -7.87 1.10 0.59 2.25 1.43 -0.72 -4.76 118.68 110.69 1qk4 s LEU 47 Ca -0.10 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 51.84 1qk4 s LEU 47 Cb 0.05 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 1qk4 s LEU 47 CO 0.92 -0.35 0.94 -2.65 0.23 0.00 0.00 176.35 175.44 1qk4 n PRO 48 N 5.09 0.90 -0.23 1.29 -0.02 -1.26 -0.83 135.00 139.94 1qk4 n PRO 48 Ca -0.07 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1qk4 n PRO 48 Cb 0.46 -2.13 0.22 0.00 -0.02 0.00 0.00 33.50 32.03 1qk4 n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qk4 h GLY 49 N 0.54 1.09 1.68 -1.23 0.00 -1.90 -0.96 103.07 102.27 1qk4 h GLY 49 Ca -0.48 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.34 1qk4 h GLY 49 CO 0.51 0.41 -0.27 -1.33 0.00 0.00 0.00 176.54 175.86 1qk4 h GLY 50 N 1.05 0.41 1.43 4.60 0.00 -1.89 -1.73 103.07 106.95 1qk4 h GLY 50 Ca 0.28 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1qk4 h GLY 50 CO -0.06 0.30 -0.32 -2.00 0.00 0.00 0.00 176.54 174.47 1qk4 h LEU 51 N 0.33 0.66 -0.28 3.11 5.85 -1.54 -0.44 115.31 123.00 1qk4 h LEU 51 Ca 0.05 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1qk4 h LEU 51 Cb 0.66 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1qk4 h LEU 51 CO 0.05 0.93 0.19 0.58 -0.34 0.00 0.00 178.44 179.85 1qk4 h VAL 52 N 0.54 1.08 -0.48 1.05 2.07 -1.16 0.88 116.25 120.23 1qk4 h VAL 52 Ca 0.06 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1qk4 h VAL 52 Cb 0.81 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1qk4 h VAL 52 CO 0.07 0.07 -0.05 0.11 0.02 0.00 0.00 177.57 177.79 1qk4 h LYS 53 N 0.38 0.88 -0.64 1.57 1.57 -1.10 0.20 116.57 119.43 1qk4 h LYS 53 Ca 0.10 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1qk4 h LYS 53 Cb -0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1qk4 h LYS 53 CO -0.02 0.94 0.42 -0.44 -0.57 0.00 0.00 179.45 179.78 1qk4 h ASP 54 N 0.73 0.71 0.12 0.86 3.32 -0.77 -1.39 116.42 119.99 1qk4 h ASP 54 Ca 0.13 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1qk4 h ASP 54 Cb 0.58 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1qk4 h ASP 54 CO 0.03 0.51 -0.50 -0.09 -1.72 0.00 0.00 179.24 177.47 1qk4 h ARG 55 N 0.84 0.43 -0.23 3.56 9.65 -0.29 -2.92 114.38 125.43 1qk4 h ARG 55 Ca 0.24 -0.25 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1qk4 h ARG 55 Cb -0.06 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1qk4 h ARG 55 CO -0.07 0.83 -0.27 0.28 2.80 0.00 0.00 179.97 183.55 1qk4 h VAL 56 N 0.34 1.27 -0.48 0.20 2.07 -0.38 -1.22 116.25 118.04 1qk4 h VAL 56 Ca 0.02 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.31 1qk4 h VAL 56 Cb 1.00 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 1qk4 h VAL 56 CO 0.09 0.40 0.21 -0.08 0.02 0.00 0.00 177.57 178.22 1qk4 h GLU 57 N 0.39 0.41 -0.56 1.57 4.81 -1.06 0.12 114.58 120.25 1qk4 h GLU 57 Ca 0.06 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1qk4 h GLU 57 Cb 0.68 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1qk4 h GLU 57 CO 0.05 0.27 0.05 -0.22 -0.73 0.00 0.00 179.01 178.43 1qk4 h LYS 58 N 0.42 0.96 -0.67 1.92 1.63 -1.32 -1.84 116.57 117.66 1qk4 h LYS 58 Ca 0.22 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 1qk4 h LYS 58 Cb 0.17 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1qk4 h LYS 58 CO -0.19 0.94 0.28 -0.07 -3.45 0.00 0.00 179.45 176.97 1qk4 h LEU 59 N 0.84 0.89 -0.88 5.20 3.38 -0.94 -1.37 115.31 122.44 1qk4 h LEU 59 Ca 0.16 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1qk4 h LEU 59 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1qk4 h LEU 59 CO 0.02 0.78 -0.18 0.00 0.09 0.00 0.00 178.44 179.16 1qk4 h ALA 60 N 1.35 1.05 -0.62 1.53 0.00 -0.77 -0.86 119.26 120.93 1qk4 h ALA 60 Ca 0.23 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1qk4 h ALA 60 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1qk4 h ALA 60 CO -0.02 0.58 0.18 -0.92 0.00 0.00 0.00 179.25 179.06 1qk4 h TYR 61 N 0.57 1.02 -0.77 0.00 3.20 -0.81 0.30 116.97 120.47 1qk4 h TYR 61 Ca 0.09 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1qk4 h TYR 61 Cb 0.63 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1qk4 h TYR 61 CO 0.03 0.84 0.42 -0.44 -1.64 0.00 0.00 178.16 177.37 1qk4 h ASP 62 N 0.90 0.96 -0.26 -2.11 3.32 -0.87 -1.90 116.42 116.46 1qk4 h ASP 62 Ca 0.20 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1qk4 h ASP 62 Cb 0.31 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1qk4 h ASP 62 CO -0.00 0.78 -0.13 0.40 -1.72 0.00 0.00 179.24 178.57 1qk4 h ILE 63 N 1.06 1.30 -0.68 0.35 2.04 -0.79 -1.99 117.51 118.80 1qk4 h ILE 63 Ca 0.27 -1.21 0.12 0.00 1.00 0.00 0.00 64.86 65.04 1qk4 h ILE 63 Cb 0.03 1.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 1qk4 h ILE 63 CO -0.04 0.38 0.25 -0.74 0.00 0.00 0.00 178.15 177.99 1qk4 h HIS 64 N 0.27 0.42 0.06 1.37 2.76 -0.16 -1.03 115.15 118.84 1qk4 h HIS 64 Ca 0.06 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1qk4 h HIS 64 Cb 0.64 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1qk4 h HIS 64 CO 0.06 0.07 -0.03 0.00 -1.30 0.00 0.00 177.93 176.73 1qk4 h ARG 65 N 0.41 -0.07 -0.56 5.26 -0.00 -1.23 -1.93 114.38 116.26 1qk4 h ARG 65 Ca 0.36 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.88 1qk4 h ARG 65 Cb 0.50 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.45 1qk4 h ARG 65 CO -0.37 0.09 0.32 1.15 0.00 0.00 0.00 179.97 181.17 1qk4 h THR 66 N -0.22 1.03 -0.64 2.04 2.02 -0.92 -3.15 112.91 113.07 1qk4 h THR 66 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1qk4 h THR 66 Cb 0.20 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1qk4 h THR 66 CO 0.01 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.80 1qk4 n TYR 67 N -4.79 1.44 -1.62 3.16 4.02 -0.43 -3.62 117.16 115.32 1qk4 n TYR 67 Ca 0.05 -0.61 -0.52 0.00 -0.01 0.00 0.00 57.90 56.81 1qk4 n TYR 67 Cb 0.10 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1qk4 n TYR 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1qk4 n PHE 68 N 1.09 1.72 -0.30 -0.72 7.35 -0.73 -0.64 117.46 125.23 1qk4 n PHE 68 Ca 0.25 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.50 1qk4 n PHE 68 Cb 0.88 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 38.32 1qk4 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qk4 n GLY 69 N 2.95 2.33 3.82 7.13 0.00 -1.26 -5.02 105.19 115.13 1qk4 n GLY 69 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1qk4 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qk4 s GLU 70 N -0.01 2.95 -0.24 1.61 0.41 0.18 -4.94 118.70 118.67 1qk4 s GLU 70 Ca 0.00 -0.90 -0.28 0.00 -0.41 0.00 0.00 54.97 53.38 1qk4 s GLU 70 Cb 0.00 -2.65 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 1qk4 s GLU 70 CO 0.00 0.46 0.98 -2.00 -0.49 0.00 0.00 175.26 174.22 1qk4 s GLU 71 N -3.33 4.21 -0.22 1.61 2.12 -1.26 -4.96 118.70 116.87 1qk4 s GLU 71 Ca 0.32 1.21 -0.02 0.00 0.36 0.00 0.00 54.97 56.84 1qk4 s GLU 71 Cb -0.09 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.65 1qk4 s GLU 71 CO 0.24 -0.63 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.07 1qk4 s LEU 72 N 3.14 2.76 -0.36 2.70 2.96 -1.26 -4.20 118.68 124.42 1qk4 s LEU 72 Ca 0.42 -0.60 -0.13 0.00 -0.22 0.00 0.00 54.13 53.59 1qk4 s LEU 72 Cb -0.15 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1qk4 s LEU 72 CO 0.07 -0.04 0.26 -1.00 -1.32 0.00 0.00 176.35 174.32 1qk4 s HIS 73 N 1.38 3.23 -0.17 5.38 3.76 -0.83 -0.72 115.29 127.32 1qk4 s HIS 73 Ca 0.04 -0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1qk4 s HIS 73 Cb -0.15 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 1qk4 s HIS 73 CO -0.06 -0.43 -0.02 0.42 -0.85 0.00 0.00 174.74 173.80 1qk4 s ILE 74 N 1.72 3.95 -0.21 0.60 1.01 -0.15 -0.88 121.20 127.23 1qk4 s ILE 74 Ca 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1qk4 s ILE 74 Cb -0.18 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1qk4 s ILE 74 CO 0.10 0.47 0.05 -0.63 0.00 0.00 0.00 174.94 174.94 1qk4 s ILE 75 N 0.57 4.45 -0.26 2.92 1.01 -0.17 -0.57 121.20 129.14 1qk4 s ILE 75 Ca -0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1qk4 s ILE 75 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1qk4 s ILE 75 CO 0.02 0.41 0.30 0.00 0.00 0.00 0.00 174.94 175.67 1qk4 s ILE 77 N 1.74 4.27 0.61 0.00 1.01 -0.89 -1.45 121.20 126.49 1qk4 s ILE 77 Ca 0.12 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1qk4 s ILE 77 Cb -0.15 -4.65 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 1qk4 s ILE 77 CO 0.09 -1.36 1.05 -0.76 0.00 0.00 0.00 174.94 173.96 1qk4 s LEU 78 N 4.25 3.42 0.15 2.97 1.43 0.98 -2.00 118.68 129.88 1qk4 s LEU 78 Ca 0.28 1.73 0.18 0.00 -1.03 0.00 0.00 54.13 55.29 1qk4 s LEU 78 Cb -0.14 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1qk4 s LEU 78 CO 0.15 -1.15 1.03 0.11 0.23 0.00 0.00 176.35 176.72 1qk4 h LYS 79 N 0.21 0.00 -0.75 1.70 1.57 -1.95 -3.31 116.57 114.04 1qk4 h LYS 79 Ca -0.46 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1qk4 h LYS 79 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1qk4 h LYS 79 CO 0.58 0.24 0.49 0.78 -0.57 0.00 0.00 179.45 180.98 1qk4 h GLY 80 N 3.76 1.05 1.07 3.86 0.00 -1.83 -2.62 103.07 108.35 1qk4 h GLY 80 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1qk4 h GLY 80 CO 0.04 0.36 0.00 1.44 0.00 0.00 0.00 176.54 178.38 1qk4 n SER 81 N -4.43 0.00 -0.17 0.19 7.64 -0.85 -4.19 113.62 111.81 1qk4 n SER 81 Ca 0.09 -0.79 -0.01 0.00 1.01 0.00 0.00 58.87 59.16 1qk4 n SER 81 Cb 0.06 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 1qk4 n SER 81 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1qk4 h ARG 82 N 0.00 0.13 0.06 1.43 1.12 -1.68 0.12 114.38 115.55 1qk4 h ARG 82 Ca 0.00 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1qk4 h ARG 82 Cb 0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1qk4 h ARG 82 CO 0.00 0.08 -0.03 0.78 -3.11 0.00 0.00 179.97 177.70 1qk4 h GLY 83 N 0.13 -0.08 0.95 2.80 0.00 -1.84 0.52 103.07 105.55 1qk4 h GLY 83 Ca 0.27 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1qk4 h GLY 83 CO -0.43 -0.03 0.06 -2.75 0.00 0.00 0.00 176.54 173.39 1qk4 h PHE 84 N -0.33 0.14 -0.44 5.60 3.57 -1.79 -1.61 116.94 122.08 1qk4 h PHE 84 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1qk4 h PHE 84 Cb 0.29 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1qk4 h PHE 84 CO 0.01 0.15 0.25 0.35 -2.23 0.00 0.00 178.31 176.84 1qk4 h PHE 85 N 0.09 0.46 -0.65 0.41 3.57 -0.71 0.13 116.94 120.25 1qk4 h PHE 85 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1qk4 h PHE 85 Cb 0.06 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1qk4 h PHE 85 CO -0.05 0.26 0.31 -0.91 -2.23 0.00 0.00 178.31 175.69 1qk4 h ASN 86 N 0.50 0.83 0.03 0.41 -0.26 -0.73 -0.27 115.58 116.08 1qk4 h ASN 86 Ca 0.18 -0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1qk4 h ASN 86 Cb 0.03 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1qk4 h ASN 86 CO -0.09 0.71 -0.01 -0.07 -1.06 0.00 0.00 177.43 176.90 1qk4 h LEU 87 N 0.91 -0.03 -0.04 1.61 4.07 -0.86 -2.34 115.31 118.64 1qk4 h LEU 87 Ca 0.22 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.15 1qk4 h LEU 87 Cb 0.10 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 1qk4 h LEU 87 CO -0.03 0.05 -0.14 0.25 -1.08 0.00 0.00 178.44 177.48 1qk4 h LEU 88 N -0.10 -0.42 -1.23 1.67 5.85 -0.44 -1.78 115.31 118.85 1qk4 h LEU 88 Ca -0.00 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1qk4 h LEU 88 Cb 0.09 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1qk4 h LEU 88 CO 0.01 -0.20 -0.37 0.16 -0.34 0.00 0.00 178.44 177.70 1qk4 h ILE 89 N -0.22 1.16 -0.09 4.05 3.07 -1.04 0.11 117.51 124.54 1qk4 h ILE 89 Ca 0.06 -1.32 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1qk4 h ILE 89 Cb 0.30 1.73 -0.00 0.00 -0.27 0.00 0.00 36.82 38.58 1qk4 h ILE 89 CO -0.17 0.36 0.06 -0.78 -1.05 0.00 0.00 178.15 176.57 1qk4 h ASP 90 N 0.00 0.10 -0.27 2.16 -0.00 -1.11 -0.79 116.42 116.50 1qk4 h ASP 90 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.01 1qk4 h ASP 90 Cb 0.70 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.00 1qk4 h ASP 90 CO 0.05 0.07 0.09 1.88 -0.00 0.00 0.00 179.24 181.33 1qk4 h TYR 91 N 0.12 0.43 -0.50 0.28 -1.99 -0.93 0.05 116.97 114.42 1qk4 h TYR 91 Ca 0.03 -0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.79 1qk4 h TYR 91 Cb -0.01 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1qk4 h TYR 91 CO -0.07 0.45 0.20 -0.07 -0.00 0.00 0.00 178.16 178.67 1qk4 h LEU 92 N 0.28 0.24 -0.72 3.88 3.38 -0.64 0.17 115.31 121.89 1qk4 h LEU 92 Ca 0.09 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1qk4 h LEU 92 Cb 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1qk4 h LEU 92 CO -0.00 0.17 0.26 0.00 0.09 0.00 0.00 178.44 178.95 1qk4 h ALA 93 N 1.31 0.95 -0.44 1.53 0.00 -0.83 -2.14 119.26 119.64 1qk4 h ALA 93 Ca 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1qk4 h ALA 93 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1qk4 h ALA 93 CO -0.22 0.60 0.00 1.15 0.00 0.00 0.00 179.25 180.78 1qk4 h THR 94 N 1.05 1.26 -0.54 0.00 2.02 -0.46 0.02 112.91 116.26 1qk4 h THR 94 Ca 0.24 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1qk4 h THR 94 Cb 0.26 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1qk4 h THR 94 CO -0.01 0.35 0.36 0.40 0.37 0.00 0.00 175.52 176.99 1qk4 h ILE 95 N 0.61 1.13 -0.40 3.11 2.04 -0.61 -0.30 117.51 123.10 1qk4 h ILE 95 Ca 0.12 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1qk4 h ILE 95 Cb 0.48 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1qk4 h ILE 95 CO 0.02 0.13 0.16 -0.61 0.00 0.00 0.00 178.15 177.86 1qk4 h GLN 96 N 0.73 0.60 -0.77 2.37 4.15 -1.21 -0.66 115.11 120.32 1qk4 h GLN 96 Ca 0.20 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1qk4 h GLN 96 Cb -0.08 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 1qk4 h GLN 96 CO -0.05 0.56 0.51 -0.22 -1.93 0.00 0.00 178.83 177.70 1qk4 h LYS 97 N 0.50 0.95 -0.02 1.69 3.64 -0.60 -2.91 116.57 119.82 1qk4 h LYS 97 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1qk4 h LYS 97 Cb 0.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1qk4 h LYS 97 CO -0.01 0.63 -0.17 0.66 -2.27 0.00 0.00 179.45 178.29 1qk4 n TYR 98 N -4.44 0.00 -0.14 1.91 0.53 -0.16 -4.47 117.16 110.39 1qk4 n TYR 98 Ca 0.09 0.00 -0.03 0.00 -1.02 0.00 0.00 57.90 56.94 1qk4 n TYR 98 Cb 0.08 -0.01 0.05 0.00 -1.03 0.00 0.00 39.34 38.43 1qk4 n TYR 98 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1qk4 h SER 99 N 3.22 -0.16 0.00 7.72 0.02 -0.91 -3.46 113.55 119.99 1qk4 h SER 99 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1qk4 h SER 99 Cb 0.78 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1qk4 h SER 99 CO 0.00 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1qk4 n GLY 100 N -1.29 2.41 3.43 -3.77 0.00 -1.26 -4.81 105.19 99.89 1qk4 n GLY 100 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1qk4 n GLY 100 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qk4 n ARG 101 N -0.94 3.41 -1.84 1.61 0.00 -1.26 -4.98 116.66 112.65 1qk4 n ARG 101 Ca 0.00 -3.94 -0.40 0.00 -0.00 0.00 0.00 57.85 53.51 1qk4 n ARG 101 Cb 0.00 -2.96 0.00 0.00 -0.00 0.00 0.00 32.46 29.50 1qk4 n ARG 101 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1qk4 s GLU 102 N 1.07 3.96 -0.06 2.89 2.02 -1.26 -5.09 118.70 122.24 1qk4 s GLU 102 Ca 0.41 2.46 -0.06 0.00 0.02 0.00 0.00 54.97 57.80 1qk4 s GLU 102 Cb -0.04 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1qk4 s GLU 102 CO -0.01 -0.61 0.17 0.45 0.02 0.00 0.00 175.26 175.28 1qk4 s SER 103 N -0.35 -0.16 0.00 -0.19 0.15 -1.26 -5.05 113.70 106.84 1qk4 s SER 103 Ca 0.56 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.75 1qk4 s SER 103 Cb -0.44 0.33 0.60 0.00 -1.71 0.00 0.00 66.02 64.80 1qk4 s SER 103 CO 0.59 -0.09 1.47 -1.54 1.20 0.00 0.00 173.24 174.87 1qk4 n SER 104 N 2.82 0.77 -4.82 5.45 3.41 -1.26 -4.86 113.62 115.12 1qk4 n SER 104 Ca -0.14 -0.58 -0.36 0.00 -0.26 0.00 0.00 58.87 57.53 1qk4 n SER 104 Cb 0.58 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.69 1qk4 n SER 104 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1qk4 s VAL 105 N -2.76 4.72 1.06 -3.33 -7.23 -1.26 -5.05 120.40 106.55 1qk4 s VAL 105 Ca 0.17 1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 61.31 1qk4 s VAL 105 Cb 0.18 -3.83 0.21 0.00 0.56 0.00 0.00 36.38 33.50 1qk4 s VAL 105 CO 0.62 0.31 0.94 -2.65 -0.31 0.00 0.00 175.10 174.01 1qk4 n PRO 106 N 1.01 -1.52 0.25 4.82 -0.02 -1.26 -4.89 135.00 133.38 1qk4 n PRO 106 Ca -0.05 -0.40 0.14 0.00 -2.02 0.00 0.00 63.50 61.16 1qk4 n PRO 106 Cb 0.51 -2.19 0.53 0.00 -0.02 0.00 0.00 33.50 32.33 1qk4 n PRO 106 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qk4 h PRO 107 N -2.28 0.00 -1.71 0.52 0.13 -1.95 -3.45 132.00 123.27 1qk4 h PRO 107 Ca -0.53 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 64.88 1qk4 h PRO 107 Cb 1.31 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 1qk4 h PRO 107 CO 0.44 0.08 0.73 -0.59 -0.23 0.00 0.00 178.00 178.43 1qk4 s PHE 108 N -3.58 -0.07 -0.12 1.56 -0.12 -1.26 -4.74 117.98 109.65 1qk4 s PHE 108 Ca 0.02 -0.10 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1qk4 s PHE 108 Cb 0.09 0.57 0.02 0.00 -0.63 0.00 0.00 43.02 43.07 1qk4 s PHE 108 CO 0.59 -0.44 -0.14 -0.06 -0.05 0.00 0.00 175.22 175.13 1qk4 s PHE 109 N -2.67 1.96 0.28 3.49 0.40 0.10 -4.94 117.98 116.59 1qk4 s PHE 109 Ca 0.14 -0.98 -0.13 0.00 -0.60 0.00 0.00 56.93 55.36 1qk4 s PHE 109 Cb 0.03 -1.44 -0.08 0.00 0.51 0.00 0.00 43.02 42.04 1qk4 s PHE 109 CO -0.02 -0.53 0.66 -1.83 0.70 0.00 0.00 175.22 174.20 1qk4 s GLU 110 N 1.18 3.93 0.02 0.44 -1.05 -1.26 -0.98 118.70 120.99 1qk4 s GLU 110 Ca -0.03 0.51 -0.10 0.00 -0.15 0.00 0.00 54.97 55.21 1qk4 s GLU 110 Cb -0.14 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.02 1qk4 s GLU 110 CO -0.05 0.23 0.20 -1.01 0.95 0.00 0.00 175.26 175.59 1qk4 s HIS 111 N -1.90 0.01 -0.02 4.83 3.76 0.26 -4.88 115.29 117.36 1qk4 s HIS 111 Ca 0.51 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.31 1qk4 s HIS 111 Cb -0.11 -0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.56 1qk4 s HIS 111 CO 0.19 -0.40 -0.15 0.71 -0.85 0.00 0.00 174.74 174.25 1qk4 s TYR 112 N -2.12 1.36 0.09 1.40 1.51 -1.26 -0.36 117.35 117.97 1qk4 s TYR 112 Ca -0.09 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1qk4 s TYR 112 Cb -0.03 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1qk4 s TYR 112 CO -0.01 -0.05 -0.08 0.14 -1.11 0.00 0.00 175.55 174.43 1qk4 s VAL 113 N -0.23 0.79 0.39 0.71 -7.23 -0.53 -4.86 120.40 109.45 1qk4 s VAL 113 Ca 0.03 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1qk4 s VAL 113 Cb -0.07 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 1qk4 s VAL 113 CO -0.00 -0.68 0.07 -0.13 -0.31 0.00 0.00 175.10 174.04 1qk4 s ARG 114 N -3.13 1.85 0.48 4.82 1.81 -1.26 -0.02 118.95 123.50 1qk4 s ARG 114 Ca 0.07 -2.09 0.04 0.00 -1.72 0.00 0.00 55.73 52.03 1qk4 s ARG 114 Cb -0.00 -0.97 0.02 0.00 -0.45 0.00 0.00 34.95 33.54 1qk4 s ARG 114 CO -0.02 -0.28 0.67 -0.51 -0.68 0.00 0.00 175.30 174.48 1qk4 s LEU 115 N -3.60 3.51 -0.68 2.53 1.43 -1.25 -4.91 118.68 115.72 1qk4 s LEU 115 Ca 0.28 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 1qk4 s LEU 115 Cb 0.06 -2.85 -0.24 0.00 0.03 0.00 0.00 46.19 43.20 1qk4 s LEU 115 CO 0.14 -0.89 1.87 2.29 0.23 0.00 0.00 176.35 179.98 1qk4 n LYS 116 N -2.09 0.68 0.00 1.70 -0.00 -1.26 -5.10 118.16 112.08 1qk4 n LYS 116 Ca 0.06 -1.66 0.00 0.00 -0.00 0.00 0.00 58.31 56.71 1qk4 n LYS 116 Cb 0.59 -3.20 0.00 0.00 -0.00 0.00 0.00 35.03 32.42 1qk4 n LYS 116 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qk4 n ASP 132 N 12.49 0.00 -4.55 -5.58 9.92 -1.26 -5.20 116.55 122.37 1qk4 n ASP 132 Ca 0.46 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.31 1qk4 n ASP 132 Cb 0.44 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 1qk4 n ASP 132 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qk4 s ASP 133 N 1.26 6.30 0.00 -2.24 2.15 -1.26 -4.85 116.67 118.03 1qk4 s ASP 133 Ca 0.00 -0.88 0.28 0.00 0.43 0.00 0.00 52.55 52.38 1qk4 s ASP 133 Cb 0.00 -2.56 1.32 0.00 -0.30 0.00 0.00 42.92 41.37 1qk4 s ASP 133 CO 0.00 -1.70 1.94 0.18 -0.17 0.00 0.00 175.17 175.43 1qk4 n LEU 134 N 9.16 0.00 0.24 -1.34 4.77 -1.26 -4.04 117.00 124.53 1qk4 n LEU 134 Ca 0.16 0.39 0.15 0.00 -0.03 0.00 0.00 56.01 56.68 1qk4 n LEU 134 Cb 0.50 -0.39 0.83 0.00 -2.33 0.00 0.00 43.42 42.02 1qk4 n LEU 134 CO 0.69 -0.02 1.13 0.77 -1.33 0.00 0.00 177.39 178.63 1qk4 h SER 135 N 0.00 0.00 0.35 -1.43 4.64 -1.96 -1.30 113.55 113.85 1qk4 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qk4 h SER 135 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1qk4 h SER 135 CO 0.00 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.12 1qk4 h ILE 136 N 0.00 0.00 -0.01 0.95 3.07 -1.99 -2.41 117.51 117.12 1qk4 h ILE 136 Ca 0.05 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.32 1qk4 h ILE 136 Cb 0.25 0.86 0.00 0.00 -0.27 0.00 0.00 36.82 37.65 1qk4 h ILE 136 CO -0.00 0.00 -0.07 0.49 -1.05 0.00 0.00 178.15 177.52 1qk4 n PHE 137 N -2.52 0.00 -1.81 0.16 3.01 -0.49 -4.81 117.46 111.01 1qk4 n PHE 137 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1qk4 n PHE 137 Cb 0.13 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1qk4 n PHE 137 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1qk4 s ARG 138 N -2.22 4.15 -1.69 -1.08 3.52 -0.91 -1.33 118.95 119.38 1qk4 s ARG 138 Ca 0.35 2.53 0.00 0.00 -0.13 0.00 0.00 55.73 58.49 1qk4 s ARG 138 Cb 0.21 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 1qk4 s ARG 138 CO 0.41 -0.63 0.00 -3.47 -0.81 0.00 0.00 175.30 170.80 1qk4 n ASP 139 N 2.68 -5.32 -4.64 -2.12 2.03 0.09 -4.84 116.55 104.42 1qk4 n ASP 139 Ca 0.10 0.13 -0.28 0.00 0.52 0.00 0.00 54.79 55.26 1qk4 n ASP 139 Cb 0.37 -4.51 -0.08 0.00 -0.72 0.00 0.00 41.12 36.18 1qk4 n ASP 139 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qk4 s LYS 140 N -4.73 2.34 -0.33 -0.67 -0.14 -0.44 -4.24 119.74 111.53 1qk4 s LYS 140 Ca 0.00 -1.07 -0.28 0.00 -1.36 0.00 0.00 55.97 53.25 1qk4 s LYS 140 Cb 0.00 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 1qk4 s LYS 140 CO 0.00 0.47 1.05 -1.01 -0.76 0.00 0.00 175.35 175.10 1qk4 s HIS 141 N -1.59 3.13 -0.09 3.18 3.76 -1.26 -0.88 115.29 121.55 1qk4 s HIS 141 Ca 0.26 1.12 0.02 0.00 -0.15 0.00 0.00 55.06 56.30 1qk4 s HIS 141 Cb -0.10 -3.70 -0.02 0.00 1.11 0.00 0.00 32.58 29.87 1qk4 s HIS 141 CO 0.17 -0.79 -0.12 0.08 -0.85 0.00 0.00 174.74 173.23 1qk4 s VAL 142 N 3.64 3.17 -0.18 -0.90 1.01 0.04 -1.97 120.40 125.21 1qk4 s VAL 142 Ca 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1qk4 s VAL 142 Cb -0.12 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1qk4 s VAL 142 CO 0.16 0.56 -0.17 -0.22 0.00 0.00 0.00 175.10 175.43 1qk4 s LEU 143 N -0.27 2.29 -0.18 3.92 2.96 -0.06 -1.61 118.68 125.73 1qk4 s LEU 143 Ca 0.02 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.21 1qk4 s LEU 143 Cb -0.13 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1qk4 s LEU 143 CO 0.03 0.02 0.34 -0.63 -1.32 0.00 0.00 176.35 174.79 1qk4 s ILE 144 N 1.18 5.25 -0.22 6.68 1.01 -0.13 -1.00 121.20 133.97 1qk4 s ILE 144 Ca 0.02 0.62 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 1qk4 s ILE 144 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1qk4 s ILE 144 CO -0.08 0.31 0.03 -0.69 0.00 0.00 0.00 174.94 174.52 1qk4 s VAL 145 N 0.94 4.18 0.05 2.92 1.01 0.89 -0.30 120.40 130.08 1qk4 s VAL 145 Ca 0.18 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1qk4 s VAL 145 Cb -0.14 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1qk4 s VAL 145 CO 0.06 0.40 -0.16 -0.70 0.00 0.00 0.00 175.10 174.71 1qk4 s GLU 146 N 1.14 0.98 -0.05 2.72 2.56 -0.37 -2.09 118.70 123.60 1qk4 s GLU 146 Ca 0.03 -0.88 -0.26 0.00 0.00 0.00 0.00 54.97 53.86 1qk4 s GLU 146 Cb -0.14 -1.04 -0.22 0.00 2.00 0.00 0.00 34.13 34.73 1qk4 s GLU 146 CO 0.02 0.25 1.13 0.38 -0.56 0.00 0.00 175.26 176.48 1qk4 h ASP 147 N 4.67 0.02 -4.46 -1.70 2.03 -1.87 -2.87 116.42 112.25 1qk4 h ASP 147 Ca -0.40 -0.64 -0.12 0.00 -0.73 0.00 0.00 57.03 55.14 1qk4 h ASP 147 Cb 1.18 -0.01 -0.22 0.00 -0.83 0.00 0.00 39.33 39.45 1qk4 h ASP 147 CO 0.42 0.66 -0.25 -0.51 -1.03 0.00 0.00 179.24 178.54 1qk4 s ILE 148 N -3.66 0.03 -0.24 4.15 2.07 -1.26 -2.43 121.20 119.86 1qk4 s ILE 148 Ca -0.17 -0.22 -0.07 0.00 -1.41 0.00 0.00 60.65 58.78 1qk4 s ILE 148 Cb 0.00 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 1qk4 s ILE 148 CO 0.68 -0.12 0.08 -0.69 -1.91 0.00 0.00 174.94 172.98 1qk4 s VAL 149 N -0.59 4.43 0.00 4.00 1.01 -0.55 -4.99 120.40 123.71 1qk4 s VAL 149 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1qk4 s VAL 149 Cb -0.04 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1qk4 s VAL 149 CO 0.03 0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.81 1qk4 n ASP 150 N 4.73 0.00 0.18 3.32 -0.08 -1.26 -1.68 116.55 121.76 1qk4 n ASP 150 Ca -0.16 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.22 1qk4 n ASP 150 Cb 0.52 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.08 1qk4 n ASP 150 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1qk4 h THR 151 N 0.00 0.18 0.00 5.18 1.35 -1.96 -3.45 112.91 114.21 1qk4 h THR 151 Ca 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1qk4 h THR 151 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1qk4 h THR 151 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1qk4 n GLY 152 N 1.15 0.89 0.17 5.82 0.00 -1.26 -4.59 105.19 107.37 1qk4 n GLY 152 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1qk4 n GLY 152 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qk4 h PHE 153 N 0.00 0.52 0.07 1.61 3.57 -1.99 -0.88 116.94 119.84 1qk4 h PHE 153 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1qk4 h PHE 153 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1qk4 h PHE 153 CO 0.00 0.42 -0.06 1.15 -2.23 0.00 0.00 178.31 177.60 1qk4 h THR 154 N 0.47 0.87 0.00 4.41 2.02 -1.99 -0.86 112.91 117.82 1qk4 h THR 154 Ca 0.13 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 1qk4 h THR 154 Cb 0.09 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qk4 h THR 154 CO -0.02 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 175.38 1qk4 h LEU 155 N -0.13 0.00 0.15 2.58 3.38 -1.96 -1.90 115.31 117.43 1qk4 h LEU 155 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qk4 h LEU 155 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qk4 h LEU 155 CO -0.01 0.42 -0.07 0.74 0.09 0.00 0.00 178.44 179.61 1qk4 h THR 156 N 0.00 0.98 -0.49 0.22 2.02 -0.85 -1.53 112.91 113.26 1qk4 h THR 156 Ca -0.00 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1qk4 h THR 156 Cb 1.08 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1qk4 h THR 156 CO 0.06 0.17 -0.00 -0.08 0.37 0.00 0.00 175.52 176.03 1qk4 h GLU 157 N -0.56 0.87 -0.75 6.66 4.22 -1.15 -1.91 114.58 121.96 1qk4 h GLU 157 Ca -0.02 -0.28 -0.06 0.00 0.08 0.00 0.00 59.36 59.08 1qk4 h GLU 157 Cb 0.43 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1qk4 h GLU 157 CO 0.03 0.91 0.24 0.35 -2.18 0.00 0.00 179.01 178.36 1qk4 h PHE 158 N 0.73 1.20 -0.78 0.92 3.57 -1.42 -2.74 116.94 118.42 1qk4 h PHE 158 Ca 0.14 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qk4 h PHE 158 Cb 0.52 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1qk4 h PHE 158 CO 0.04 0.94 0.50 0.78 -2.23 0.00 0.00 178.31 178.34 1qk4 h GLY 159 N 1.12 1.11 1.08 2.40 0.00 -1.03 -1.44 103.07 106.31 1qk4 h GLY 159 Ca 0.24 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.03 1qk4 h GLY 159 CO -0.01 0.42 -0.08 0.83 0.00 0.00 0.00 176.54 177.70 1qk4 h GLU 160 N 1.06 1.02 -0.36 4.80 4.39 -1.06 0.18 114.58 124.61 1qk4 h GLU 160 Ca 0.28 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 1qk4 h GLU 160 Cb -0.09 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1qk4 h GLU 160 CO -0.06 1.06 -0.20 0.00 -1.16 0.00 0.00 179.01 178.65 1qk4 h ARG 161 N 0.90 0.70 -0.25 2.33 3.08 -1.21 -2.73 114.38 117.20 1qk4 h ARG 161 Ca 0.14 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1qk4 h ARG 161 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1qk4 h ARG 161 CO 0.04 0.84 -0.46 1.25 -1.07 0.00 0.00 179.97 180.57 1qk4 h LEU 162 N 0.62 0.72 -1.46 3.04 5.85 -1.06 -2.73 115.31 120.27 1qk4 h LEU 162 Ca 0.09 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1qk4 h LEU 162 Cb 0.67 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1qk4 h LEU 162 CO 0.05 1.07 0.02 0.11 -0.34 0.00 0.00 178.44 179.35 1qk4 h LYS 163 N 0.53 0.37 -0.25 1.25 1.57 -0.36 -2.39 116.57 117.28 1qk4 h LYS 163 Ca 0.03 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1qk4 h LYS 163 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1qk4 h LYS 163 CO 0.09 0.38 0.19 0.00 -0.57 0.00 0.00 179.45 179.55 1qk4 h ALA 164 N 1.67 2.17 0.00 3.86 0.00 -1.20 -1.64 119.26 124.11 1qk4 h ALA 164 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qk4 h ALA 164 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qk4 h ALA 164 CO 0.00 -0.33 -0.20 1.33 0.00 0.00 0.00 179.25 180.06 1qk4 n VAL 165 N -4.33 0.01 -1.90 0.00 0.24 -0.90 -5.00 118.33 106.46 1qk4 n VAL 165 Ca 0.03 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.30 1qk4 n VAL 165 Cb 0.35 -0.21 0.01 0.00 -1.47 0.00 0.00 33.84 32.52 1qk4 n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qk4 n GLY 166 N 1.50 0.51 3.75 7.63 0.00 -0.62 -4.30 105.19 113.66 1qk4 n GLY 166 Ca 0.06 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1qk4 n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qk4 s PRO 167 N -3.47 2.50 0.17 1.61 0.04 -1.26 -0.73 135.00 133.85 1qk4 s PRO 167 Ca 0.06 1.50 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 1qk4 s PRO 167 Cb -0.01 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1qk4 s PRO 167 CO 0.12 -1.50 1.58 -0.22 0.04 0.00 0.00 177.00 177.02 1qk4 h LYS 168 N -0.19 1.03 -3.18 4.56 3.64 -1.18 -3.42 116.57 117.82 1qk4 h LYS 168 Ca -0.47 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.46 1qk4 h LYS 168 Cb 1.26 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 1qk4 h LYS 168 CO 0.52 1.10 0.02 -1.54 -2.27 0.00 0.00 179.45 177.27 1qk4 s SER 169 N -6.68 -0.35 -0.05 4.20 1.04 -1.10 -4.83 113.70 105.91 1qk4 s SER 169 Ca -0.11 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1qk4 s SER 169 Cb 0.13 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.79 1qk4 s SER 169 CO 0.87 -0.85 0.12 -0.04 0.98 0.00 0.00 173.24 174.31 1qk4 s MET 170 N -3.52 0.07 0.09 4.02 -1.94 -1.26 -0.78 119.30 115.98 1qk4 s MET 170 Ca 0.01 0.31 -0.01 0.00 -1.71 0.00 0.00 55.69 54.29 1qk4 s MET 170 Cb 0.01 -0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.64 1qk4 s MET 170 CO -0.10 -0.15 0.02 1.03 -0.01 0.00 0.00 175.02 175.81 1qk4 s ARG 171 N 1.04 0.77 -0.07 2.03 0.52 -0.63 -4.69 118.95 117.92 1qk4 s ARG 171 Ca -0.08 -1.31 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 1qk4 s ARG 171 Cb -0.11 0.23 -0.00 0.00 0.52 0.00 0.00 34.95 35.59 1qk4 s ARG 171 CO -0.05 -0.19 -0.22 0.42 0.02 0.00 0.00 175.30 175.29 1qk4 s ILE 172 N -3.98 1.81 -0.19 1.52 1.01 -1.26 -0.95 121.20 119.16 1qk4 s ILE 172 Ca 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 1qk4 s ILE 172 Cb 0.08 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1qk4 s ILE 172 CO -0.04 0.51 -0.03 0.00 0.00 0.00 0.00 174.94 175.38 1qk4 s ALA 173 N 0.12 2.94 -0.02 9.38 0.00 0.59 -0.81 121.76 133.97 1qk4 s ALA 173 Ca -0.09 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1qk4 s ALA 173 Cb -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1qk4 s ALA 173 CO 0.05 -0.12 -0.02 -0.08 0.00 0.00 0.00 175.76 175.58 1qk4 s THR 174 N 0.95 0.30 0.10 0.00 -1.32 -0.16 -1.23 115.64 114.28 1qk4 s THR 174 Ca 0.01 -0.05 -0.18 0.00 -1.21 0.00 0.00 61.69 60.25 1qk4 s THR 174 Cb -0.14 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 1qk4 s THR 174 CO 0.01 0.14 1.60 0.25 -2.21 0.00 0.00 174.62 174.41 1qk4 h LEU 175 N 6.77 0.45 -8.58 9.08 6.46 -1.28 -2.21 115.31 125.99 1qk4 h LEU 175 Ca -0.36 -0.23 -0.54 0.00 -0.12 0.00 0.00 57.88 56.63 1qk4 h LEU 175 Cb 1.16 -0.12 -0.23 0.00 -0.73 0.00 0.00 40.66 40.74 1qk4 h LEU 175 CO 0.49 0.56 -0.82 -0.69 -0.62 0.00 0.00 178.44 177.35 1qk4 s VAL 176 N -5.31 1.59 -0.08 1.05 1.01 -1.02 -0.74 120.40 116.90 1qk4 s VAL 176 Ca -0.13 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.50 1qk4 s VAL 176 Cb 0.08 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1qk4 s VAL 176 CO 0.74 0.01 -0.13 -1.61 0.00 0.00 0.00 175.10 174.11 1qk4 s GLU 177 N -1.60 1.84 0.38 2.72 2.02 0.71 -1.49 118.70 123.28 1qk4 s GLU 177 Ca 0.06 -0.45 -0.24 0.00 0.02 0.00 0.00 54.97 54.36 1qk4 s GLU 177 Cb -0.09 -1.55 -0.10 0.00 0.10 0.00 0.00 34.13 32.49 1qk4 s GLU 177 CO 0.03 -0.00 0.98 0.15 0.02 0.00 0.00 175.26 176.43 1qk4 s LYS 178 N 0.78 4.35 -0.77 1.61 1.02 -0.67 -1.63 119.74 124.42 1qk4 s LYS 178 Ca -0.12 1.32 -0.19 0.00 0.02 0.00 0.00 55.97 56.99 1qk4 s LYS 178 Cb -0.16 -2.53 0.12 0.00 -0.52 0.00 0.00 37.83 34.74 1qk4 s LYS 178 CO 0.02 0.06 0.96 1.03 -0.92 0.00 0.00 175.35 176.50 1qk4 s ARG 179 N -2.53 3.35 0.42 1.68 0.52 0.21 -4.91 118.95 117.70 1qk4 s ARG 179 Ca 0.56 -1.48 0.08 0.00 -0.52 0.00 0.00 55.73 54.37 1qk4 s ARG 179 Cb -0.17 -4.55 -0.01 0.00 0.52 0.00 0.00 34.95 30.74 1qk4 s ARG 179 CO 0.21 -1.69 0.43 0.95 0.02 0.00 0.00 175.30 175.23 1qk4 s THR 180 N 2.83 2.71 -1.25 0.02 -4.23 -1.26 -3.78 115.64 110.67 1qk4 s THR 180 Ca 0.24 -1.25 0.29 0.00 -1.18 0.00 0.00 61.69 59.78 1qk4 s THR 180 Cb -0.13 -2.97 0.39 0.00 1.34 0.00 0.00 72.50 71.14 1qk4 s THR 180 CO -0.01 0.00 1.97 0.47 -0.54 0.00 0.00 174.62 176.51 1qk4 n ASP 181 N -1.64 0.00 -4.72 3.99 8.00 -1.26 -4.89 116.55 116.03 1qk4 n ASP 181 Ca 0.05 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.25 1qk4 n ASP 181 Cb 0.61 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1qk4 n ASP 181 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1qk4 n ARG 182 N -1.37 2.47 -3.16 -1.24 0.63 -1.26 -5.00 116.66 107.72 1qk4 n ARG 182 Ca 0.11 0.88 -0.29 0.00 -0.92 0.00 0.00 57.85 57.63 1qk4 n ARG 182 Cb 0.27 -2.62 -0.03 0.00 0.45 0.00 0.00 32.46 30.53 1qk4 n ARG 182 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1qk4 s SER 183 N 0.46 6.44 -1.42 6.15 1.04 -1.26 -4.13 113.70 120.98 1qk4 s SER 183 Ca 0.66 0.82 -0.10 0.00 0.48 0.00 0.00 55.95 57.81 1qk4 s SER 183 Cb -0.55 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1qk4 s SER 183 CO 0.48 -0.29 1.08 -3.20 0.98 0.00 0.00 173.24 172.30 1qk4 n ASN 184 N -1.19 -5.96 -4.77 7.02 4.05 -1.26 -4.92 115.26 108.22 1qk4 n ASN 184 Ca -0.01 -0.58 -0.40 0.00 0.45 0.00 0.00 54.58 54.05 1qk4 n ASN 184 Cb 0.54 -4.72 -0.02 0.00 1.23 0.00 0.00 39.78 36.82 1qk4 n ASN 184 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1qk4 s SER 185 N -3.25 6.58 0.30 1.20 0.01 -1.26 -4.97 113.70 112.30 1qk4 s SER 185 Ca 0.58 2.56 -0.29 0.00 1.31 0.00 0.00 55.95 60.11 1qk4 s SER 185 Cb -0.27 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.22 1qk4 s SER 185 CO 0.72 -0.66 1.50 -0.22 0.41 0.00 0.00 173.24 174.99 1qk4 s LEU 186 N -2.17 4.36 0.06 2.44 0.20 -1.26 -4.95 118.68 117.35 1qk4 s LEU 186 Ca 0.53 2.86 0.09 0.00 0.69 0.00 0.00 54.13 58.31 1qk4 s LEU 186 Cb -0.36 -3.64 -0.03 0.00 -0.43 0.00 0.00 46.19 41.73 1qk4 s LEU 186 CO 0.47 -0.81 -0.26 -0.54 -0.29 0.00 0.00 176.35 174.92 1qk4 s LYS 187 N -0.93 1.73 0.61 1.98 -0.14 0.89 -4.92 119.74 118.96 1qk4 s LYS 187 Ca 0.58 -1.13 -0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1qk4 s LYS 187 Cb -0.45 -1.94 0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1qk4 s LYS 187 CO 0.50 0.50 0.90 0.20 -0.76 0.00 0.00 175.35 176.69 1qk4 s GLY 188 N -1.35 1.69 -0.10 -3.33 0.00 -1.26 -3.15 107.32 99.82 1qk4 s GLY 188 Ca 0.12 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 43.84 1qk4 s GLY 188 CO 0.03 -0.65 0.42 1.22 0.00 0.00 0.00 173.10 174.12 1qk4 n ASP 189 N -2.62 1.84 -3.89 1.64 8.00 0.01 -4.25 116.55 117.29 1qk4 n ASP 189 Ca 0.06 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.51 1qk4 n ASP 189 Cb 0.59 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 1qk4 n ASP 189 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qk4 s PHE 190 N -2.57 2.84 -0.11 1.24 0.40 -0.18 -4.44 117.98 115.17 1qk4 s PHE 190 Ca -0.19 -2.49 0.02 0.00 -0.60 0.00 0.00 56.93 53.68 1qk4 s PHE 190 Cb 0.07 -2.39 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 1qk4 s PHE 190 CO 0.78 -0.90 -0.18 0.08 0.70 0.00 0.00 175.22 175.70 1qk4 s VAL 191 N 1.10 2.59 -0.04 -0.44 1.01 -1.26 -0.99 120.40 122.37 1qk4 s VAL 191 Ca 0.11 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1qk4 s VAL 191 Cb -0.19 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 1qk4 s VAL 191 CO -0.14 0.54 0.67 1.23 0.00 0.00 0.00 175.10 177.40 1qk4 h GLY 192 N 6.67 -0.48 -5.39 4.51 0.00 -0.74 -3.38 103.07 104.26 1qk4 h GLY 192 Ca -0.23 0.18 -0.27 0.00 0.00 0.00 0.00 47.33 47.00 1qk4 h GLY 192 CO 0.52 -0.18 -0.74 -1.36 0.00 0.00 0.00 176.54 174.78 1qk4 s PHE 193 N -3.32 0.27 -0.25 5.60 0.40 0.08 -1.81 117.98 118.95 1qk4 s PHE 193 Ca -0.09 -0.09 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 1qk4 s PHE 193 Cb 0.01 -0.17 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 1qk4 s PHE 193 CO 0.28 -0.02 0.34 0.45 0.70 0.00 0.00 175.22 176.98 1qk4 s SER 194 N -0.20 6.26 0.34 1.36 0.15 0.79 -0.21 113.70 122.18 1qk4 s SER 194 Ca -0.00 0.29 0.08 0.00 0.70 0.00 0.00 55.95 57.02 1qk4 s SER 194 Cb -0.02 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1qk4 s SER 194 CO -0.00 -0.12 -0.05 0.27 1.20 0.00 0.00 173.24 174.54 1qk4 s ILE 195 N 1.75 1.94 0.82 6.45 -4.36 -0.64 -1.56 121.20 125.60 1qk4 s ILE 195 Ca 0.14 -2.12 -0.11 0.00 -0.26 0.00 0.00 60.65 58.31 1qk4 s ILE 195 Cb -0.15 -2.70 0.08 0.00 1.25 0.00 0.00 42.46 40.94 1qk4 s ILE 195 CO 0.09 -0.16 1.10 -1.83 0.24 0.00 0.00 174.94 174.38 1qk4 s GLU 196 N -3.69 1.88 -1.07 0.37 -1.05 -1.26 -0.62 118.70 113.27 1qk4 s GLU 196 Ca 0.33 1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 56.06 1qk4 s GLU 196 Cb 0.05 -1.86 0.01 0.00 -0.44 0.00 0.00 34.13 31.90 1qk4 s GLU 196 CO 0.16 -1.90 1.69 0.34 0.95 0.00 0.00 175.26 176.50 1qk4 s ASP 197 N -3.31 6.05 0.04 0.83 3.68 -1.25 -4.51 116.67 118.20 1qk4 s ASP 197 Ca 0.62 -1.49 -0.01 0.00 2.13 0.00 0.00 52.55 53.80 1qk4 s ASP 197 Cb -0.18 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.68 1qk4 s ASP 197 CO 0.57 -1.95 -0.02 0.68 0.13 0.00 0.00 175.17 174.58 1qk4 s VAL 198 N 6.86 0.19 0.05 1.11 -7.23 -1.26 -5.05 120.40 115.08 1qk4 s VAL 198 Ca 0.56 -1.59 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 1qk4 s VAL 198 Cb -0.01 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 1qk4 s VAL 198 CO -0.01 -0.88 0.87 0.86 -0.31 0.00 0.00 175.10 175.63 1qk4 s TRP 199 N -3.39 3.73 0.13 2.82 -0.11 -1.26 -5.03 118.94 115.83 1qk4 s TRP 199 Ca 0.02 1.61 0.11 0.00 1.22 0.00 0.00 56.10 59.06 1qk4 s TRP 199 Cb 0.04 -2.96 -0.04 0.00 -1.50 0.00 0.00 33.47 29.01 1qk4 s TRP 199 CO -0.08 0.18 -0.26 0.96 -4.62 0.00 0.00 176.95 173.13 1qk4 s ILE 200 N 0.24 2.34 0.07 5.86 -4.36 -1.26 -1.02 121.20 123.07 1qk4 s ILE 200 Ca 0.44 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 1qk4 s ILE 200 Cb -0.21 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1qk4 s ILE 200 CO 0.26 0.09 -0.05 0.68 0.24 0.00 0.00 174.94 176.16 1qk4 s VAL 201 N -1.07 0.47 0.00 8.37 -7.23 -0.34 -4.41 120.40 116.19 1qk4 s VAL 201 Ca 0.15 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1qk4 s VAL 201 Cb -0.10 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.45 1qk4 s VAL 201 CO 0.07 -0.83 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 1qk4 n GLY 202 N 0.32 2.39 3.79 2.32 0.00 0.54 -0.32 105.19 114.23 1qk4 n GLY 202 Ca -0.15 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1qk4 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qk4 s TYR 205 N -1.88 3.28 0.47 0.00 1.51 -0.33 -4.68 117.35 115.73 1qk4 s TYR 205 Ca 0.00 1.36 0.04 0.00 -1.01 0.00 0.00 57.07 57.46 1qk4 s TYR 205 Cb 0.00 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.26 1qk4 s TYR 205 CO 0.00 -1.59 0.04 0.16 -1.11 0.00 0.00 175.55 173.05 1qk4 s ASP 206 N -0.04 4.09 -0.23 2.29 -4.77 -1.26 -0.34 116.67 116.42 1qk4 s ASP 206 Ca 0.53 -1.49 -0.03 0.00 -3.30 0.00 0.00 52.55 48.26 1qk4 s ASP 206 Cb -0.36 0.12 0.08 0.00 -1.09 0.00 0.00 42.92 41.66 1qk4 s ASP 206 CO 0.41 -0.70 0.08 0.12 0.70 0.00 0.00 175.17 175.78 1qk4 s PHE 207 N -2.79 0.80 -1.47 2.11 5.36 -0.63 -4.74 117.98 116.62 1qk4 s PHE 207 Ca 0.20 -0.88 -0.07 0.00 -0.96 0.00 0.00 56.93 55.22 1qk4 s PHE 207 Cb 0.04 -1.04 0.05 0.00 -0.34 0.00 0.00 43.02 41.74 1qk4 s PHE 207 CO 0.11 -0.68 0.70 0.09 -1.46 0.00 0.00 175.22 173.97 1qk4 n ASN 208 N 5.11 -2.18 0.00 6.13 3.02 -1.26 -1.52 115.26 124.57 1qk4 n ASN 208 Ca -0.07 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1qk4 n ASN 208 Cb 0.46 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1qk4 n ASN 208 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qk4 n GLU 209 N -4.44 -0.01 -3.30 3.52 -0.58 -1.26 -5.01 120.64 109.56 1qk4 n GLU 209 Ca -0.15 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.31 1qk4 n GLU 209 Cb 0.61 -3.15 -0.03 0.00 -0.57 0.00 0.00 31.44 28.31 1qk4 n GLU 209 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1qk4 s MET 210 N -0.32 3.60 0.00 3.49 1.75 -0.57 -4.54 119.30 122.70 1qk4 s MET 210 Ca 0.00 -0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.39 1qk4 s MET 210 Cb 0.00 -2.63 0.00 0.00 2.84 0.00 0.00 34.83 35.04 1qk4 s MET 210 CO 0.00 0.18 0.00 1.19 -0.65 0.00 0.00 175.02 175.74 1qk4 n PHE 211 N -1.18 0.00 -0.35 4.11 3.72 -1.26 -1.60 117.46 120.89 1qk4 n PHE 211 Ca -0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.40 1qk4 n PHE 211 Cb 0.54 -0.23 0.19 0.00 -0.94 0.00 0.00 39.48 39.04 1qk4 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qk4 h ARG 212 N 1.99 1.12 -0.00 -1.08 3.08 -1.80 -2.06 114.38 115.63 1qk4 h ARG 212 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1qk4 h ARG 212 Cb 0.05 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1qk4 h ARG 212 CO 0.00 0.74 -0.00 -0.40 -1.07 0.00 0.00 179.97 179.24 1qk4 n ASP 213 N -4.49 0.22 -4.77 7.04 5.75 -1.26 -0.93 116.55 118.12 1qk4 n ASP 213 Ca 0.15 -1.04 -0.39 0.00 -0.01 0.00 0.00 54.79 53.50 1qk4 n ASP 213 Cb 0.17 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 1qk4 n ASP 213 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1qk4 s PHE 214 N -2.02 2.96 -0.61 2.11 5.36 -0.78 -4.84 117.98 120.15 1qk4 s PHE 214 Ca 0.46 1.49 0.25 0.00 -0.96 0.00 0.00 56.93 58.17 1qk4 s PHE 214 Cb 0.22 -3.53 0.89 0.00 -0.34 0.00 0.00 43.02 40.26 1qk4 s PHE 214 CO 0.37 -1.67 1.75 -0.25 -1.46 0.00 0.00 175.22 173.96 1qk4 n ASP 215 N 0.15 0.76 -4.40 6.13 10.43 -1.26 -0.52 116.55 127.83 1qk4 n ASP 215 Ca 0.04 0.62 -0.21 0.00 2.57 0.00 0.00 54.79 57.81 1qk4 n ASP 215 Cb 0.45 -0.80 -0.10 0.00 1.84 0.00 0.00 41.12 42.50 1qk4 n ASP 215 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1qk4 s HIS 216 N -3.20 1.95 -0.35 1.24 3.76 -1.26 -3.36 115.29 114.07 1qk4 s HIS 216 Ca 0.08 -0.51 -0.21 0.00 -0.15 0.00 0.00 55.06 54.27 1qk4 s HIS 216 Cb 0.11 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.88 1qk4 s HIS 216 CO 0.51 0.47 0.64 0.08 -0.85 0.00 0.00 174.74 175.59 1qk4 s VAL 217 N -2.82 4.89 0.26 -0.90 1.01 -0.01 -3.36 120.40 119.47 1qk4 s VAL 217 Ca 0.26 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.99 1qk4 s VAL 217 Cb -0.01 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1qk4 s VAL 217 CO 0.10 -0.29 -0.10 0.00 0.00 0.00 0.00 175.10 174.81 1qk4 s ALA 218 N 2.71 2.95 0.23 5.51 0.00 0.57 -0.07 121.76 133.66 1qk4 s ALA 218 Ca 0.25 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 1qk4 s ALA 218 Cb -0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1qk4 s ALA 218 CO 0.14 0.30 1.00 0.08 0.00 0.00 0.00 175.76 177.29 1qk4 s VAL 219 N -2.30 3.92 -0.04 0.00 1.01 -0.39 -1.20 120.40 121.41 1qk4 s VAL 219 Ca 0.30 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 1qk4 s VAL 219 Cb -0.06 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1qk4 s VAL 219 CO 0.17 0.43 1.67 -0.22 0.00 0.00 0.00 175.10 177.14 1qk4 s LEU 220 N -1.09 4.33 0.64 3.92 2.96 -0.19 -4.71 118.68 124.55 1qk4 s LEU 220 Ca 0.43 2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 56.60 1qk4 s LEU 220 Cb -0.28 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 42.95 1qk4 s LEU 220 CO 0.35 -0.92 0.91 -0.94 -1.32 0.00 0.00 176.35 174.42 1qk4 s SER 221 N 3.31 4.85 0.21 3.68 1.04 -1.26 -4.90 113.70 120.63 1qk4 s SER 221 Ca 0.74 -0.00 -0.08 0.00 0.48 0.00 0.00 55.95 57.08 1qk4 s SER 221 Cb -0.34 -0.66 0.16 0.00 0.10 0.00 0.00 66.02 65.28 1qk4 s SER 221 CO 0.30 -1.50 1.80 0.44 0.98 0.00 0.00 173.24 175.27 1qk4 h ASP 222 N -0.30 1.05 -0.66 7.02 3.32 -1.94 -0.01 116.42 124.91 1qk4 h ASP 222 Ca -0.41 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1qk4 h ASP 222 Cb 1.29 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1qk4 h ASP 222 CO 0.50 0.89 0.31 0.00 -1.72 0.00 0.00 179.24 179.23 1qk4 h ALA 223 N 1.20 0.85 -0.33 3.45 0.00 -1.94 -1.24 119.26 121.25 1qk4 h ALA 223 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1qk4 h ALA 223 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qk4 h ALA 223 CO -0.03 0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.73 1qk4 h ALA 224 N 1.14 0.43 -0.62 0.00 0.00 -1.63 0.20 119.26 118.78 1qk4 h ALA 224 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qk4 h ALA 224 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1qk4 h ALA 224 CO -0.03 0.09 0.38 -0.09 0.00 0.00 0.00 179.25 179.60 1qk4 h ARG 225 N 0.37 0.84 -0.41 0.00 2.43 -0.71 -0.96 114.38 115.95 1qk4 h ARG 225 Ca 0.10 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 1qk4 h ARG 225 Cb 0.28 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1qk4 h ARG 225 CO -0.00 0.60 -0.35 0.87 -1.51 0.00 0.00 179.97 179.58 1qk4 h LYS 226 N 0.84 0.96 -0.27 0.20 1.57 -1.13 -0.73 116.57 118.01 1qk4 h LYS 226 Ca 0.22 -0.48 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1qk4 h LYS 226 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1qk4 h LYS 226 CO -0.04 1.14 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.67 1qk4 h LYS 227 N 0.79 0.55 -0.18 3.15 1.63 -0.75 -3.35 116.57 118.42 1qk4 h LYS 227 Ca 0.07 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 1qk4 h LYS 227 Cb 0.94 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 1qk4 h LYS 227 CO 0.09 0.77 0.00 1.19 -3.45 0.00 0.00 179.45 178.05 1qk4 n PHE 228 N -4.48 0.21 0.00 1.91 3.01 -0.38 -5.10 117.46 112.62 1qk4 n PHE 228 Ca -0.03 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.30 1qk4 n PHE 228 Cb 0.33 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1qk4 n PHE 228 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16