#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk4 h ALA 2 N 0.00 1.15 -2.97 3.04 0.00 -1.86 -3.44 119.26 115.18 1qk4 h ALA 2 Ca 0.00 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.09 1qk4 h ALA 2 Cb 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 17.79 17.75 1qk4 h ALA 2 CO 0.00 0.54 0.75 -1.54 0.00 0.00 0.00 179.25 179.00 1qk4 s SER 3 N -6.72 6.10 -0.28 0.00 1.04 -1.26 -4.87 113.70 107.70 1qk4 s SER 3 Ca -0.08 3.02 -0.17 0.00 0.48 0.00 0.00 55.95 59.20 1qk4 s SER 3 Cb 0.14 -2.66 0.11 0.00 0.10 0.00 0.00 66.02 63.71 1qk4 s SER 3 CO 0.80 -1.03 0.84 -0.75 0.98 0.00 0.00 173.24 174.08 1qk4 s LYS 4 N -2.27 0.55 0.22 4.02 2.20 -1.26 -5.12 119.74 118.08 1qk4 s LYS 4 Ca 0.57 0.92 -0.32 0.00 -0.36 0.00 0.00 55.97 56.78 1qk4 s LYS 4 Cb -0.46 0.13 -0.14 0.00 -1.51 0.00 0.00 37.83 35.85 1qk4 s LYS 4 CO 0.61 -0.11 1.33 -2.30 -0.36 0.00 0.00 175.35 174.52 1qk4 n PRO 5 N 3.85 1.77 -0.08 4.03 -0.02 -1.26 -4.64 135.00 138.66 1qk4 n PRO 5 Ca -0.19 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 61.98 1qk4 n PRO 5 Cb 0.58 -2.24 0.41 0.00 -0.02 0.00 0.00 33.50 32.23 1qk4 n PRO 5 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1qk4 h ILE 6 N 2.91 1.05 0.00 4.25 1.08 -1.95 -2.29 117.51 122.56 1qk4 h ILE 6 Ca -0.44 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 1qk4 h ILE 6 Cb 1.30 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1qk4 h ILE 6 CO 0.74 0.11 0.00 -0.62 -0.69 0.00 0.00 178.15 177.69 1qk4 n GLU 7 N -4.47 0.03 0.00 2.37 4.71 -1.26 -1.38 120.64 120.63 1qk4 n GLU 7 Ca 0.07 0.29 0.14 0.00 -0.01 0.00 0.00 57.16 57.64 1qk4 n GLU 7 Cb 0.16 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 29.61 1qk4 n GLU 7 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1qk4 n ASP 8 N -1.47 1.00 -4.68 1.62 8.00 -0.86 -4.89 116.55 115.28 1qk4 n ASP 8 Ca 0.03 -1.05 -0.47 0.00 0.71 0.00 0.00 54.79 54.02 1qk4 n ASP 8 Cb 0.12 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1qk4 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qk4 n TYR 9 N -0.45 2.33 -0.56 1.24 9.36 -0.48 -1.32 117.16 127.27 1qk4 n TYR 9 Ca 0.16 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.50 1qk4 n TYR 9 Cb 0.32 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.42 1qk4 n TYR 9 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qk4 n GLY 10 N 3.88 0.85 0.04 2.98 0.00 -1.26 -4.87 105.19 106.81 1qk4 n GLY 10 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.49 -2.94 1.61 5.02 -0.44 -0.44 118.16 119.45 1qk4 n LYS 11 Ca 0.00 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 1qk4 n LYS 11 Cb 0.00 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 33.41 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 1.29 -0.52 3.71 0.72 0.00 -1.23 -4.78 105.19 104.38 1qk4 n GLY 12 Ca -0.01 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.61 4.31 -0.64 1.61 2.20 -1.26 -2.38 119.74 117.96 1qk4 s LYS 13 Ca 0.26 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1qk4 s LYS 13 Cb -0.12 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1qk4 s LYS 13 CO 0.32 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 1qk4 n GLY 14 N 3.54 0.81 3.87 5.54 0.00 -1.26 -5.01 105.19 112.68 1qk4 n GLY 14 Ca 0.12 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.14 2.80 -0.19 1.61 1.70 -1.00 -5.03 118.95 116.70 1qk4 s ARG 15 Ca 0.00 0.52 -0.19 0.00 -0.47 0.00 0.00 55.73 55.58 1qk4 s ARG 15 Cb 0.00 -2.01 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 1qk4 s ARG 15 CO 0.00 -1.09 0.55 0.42 -1.08 0.00 0.00 175.30 174.09 1qk4 s ILE 16 N -3.31 5.09 0.56 4.99 1.01 -1.26 -5.02 121.20 123.26 1qk4 s ILE 16 Ca 0.58 1.02 -0.21 0.00 0.00 0.00 0.00 60.65 62.04 1qk4 s ILE 16 Cb -0.12 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1qk4 s ILE 16 CO 0.52 0.17 1.36 -0.62 0.00 0.00 0.00 174.94 176.37 1qk4 n GLU 17 N 4.74 1.62 -1.32 2.79 -0.58 -1.26 -4.72 120.64 121.91 1qk4 n GLU 17 Ca -0.04 0.60 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 1qk4 n GLU 17 Cb 0.50 -2.58 0.15 0.00 -0.57 0.00 0.00 31.44 28.95 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 -2.97 0.84 0.24 3.49 0.04 -1.26 -4.97 135.00 130.41 1qk4 s PRO 18 Ca 0.73 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 1qk4 s PRO 18 Cb -0.41 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1qk4 s PRO 18 CO 0.48 -2.44 1.39 1.41 0.04 0.00 0.00 177.00 177.87 1qk4 s MET 19 N -5.08 4.31 -0.31 4.56 -2.45 -0.67 -4.76 119.30 114.90 1qk4 s MET 19 Ca 0.64 2.22 -0.16 0.00 -1.25 0.00 0.00 55.69 57.14 1qk4 s MET 19 Cb -0.17 -3.13 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 1qk4 s MET 19 CO 0.56 -0.35 0.39 -0.47 1.05 0.00 0.00 175.02 176.20 1qk4 s TYR 20 N -0.05 3.22 -0.38 4.11 5.04 -1.26 -1.14 117.35 126.89 1qk4 s TYR 20 Ca 0.58 0.20 -0.14 0.00 -2.44 0.00 0.00 57.07 55.27 1qk4 s TYR 20 Cb -0.40 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1qk4 s TYR 20 CO 0.42 -0.36 0.26 0.42 -1.34 0.00 0.00 175.55 174.95 1qk4 s ILE 21 N 2.11 5.11 0.73 3.14 -1.09 -0.55 -4.96 121.20 125.68 1qk4 s ILE 21 Ca 0.14 -0.59 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 1qk4 s ILE 21 Cb -0.16 -3.79 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1qk4 s ILE 21 CO 0.11 -0.21 1.18 -2.84 -1.23 0.00 0.00 174.94 171.95 1qk4 s PRO 22 N 1.66 2.20 0.71 2.79 0.02 -1.26 -4.40 135.00 136.72 1qk4 s PRO 22 Ca 0.05 1.66 -0.17 0.00 0.02 0.00 0.00 61.00 62.56 1qk4 s PRO 22 Cb -0.19 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 1qk4 s PRO 22 CO 0.09 -1.76 0.33 -0.25 -0.33 0.00 0.00 177.00 175.08 1qk4 n ASP 23 N -2.77 -1.94 -4.27 2.53 8.00 -1.26 -3.06 116.55 113.79 1qk4 n ASP 23 Ca 0.13 0.57 -0.35 0.00 0.71 0.00 0.00 54.79 55.85 1qk4 n ASP 23 Cb 0.51 -1.12 -0.05 0.00 -0.02 0.00 0.00 41.12 40.43 1qk4 n ASP 23 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qk4 n ASN 24 N 0.46 -1.84 -4.20 -2.24 3.02 -1.26 -4.97 115.26 104.23 1qk4 n ASN 24 Ca 0.09 -1.11 -0.36 0.00 -0.03 0.00 0.00 54.58 53.17 1qk4 n ASN 24 Cb 0.50 -2.37 -0.13 0.00 -0.61 0.00 0.00 39.78 37.17 1qk4 n ASN 24 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qk4 s THR 25 N -3.55 3.33 0.05 3.41 2.01 -1.17 -5.08 115.64 114.63 1qk4 s THR 25 Ca 0.53 -1.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1qk4 s THR 25 Cb -0.30 -2.96 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 1qk4 s THR 25 CO 0.96 -0.22 0.12 -0.36 -0.69 0.00 0.00 174.62 174.43 1qk4 s PHE 26 N 1.29 0.19 0.26 4.92 0.40 -1.26 -4.81 117.98 118.97 1qk4 s PHE 26 Ca -0.02 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1qk4 s PHE 26 Cb -0.20 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 1qk4 s PHE 26 CO -0.00 -0.41 0.43 0.71 0.70 0.00 0.00 175.22 176.64 1qk4 s TYR 27 N -2.98 3.48 0.01 0.36 2.02 0.82 -4.91 117.35 116.15 1qk4 s TYR 27 Ca -0.02 0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.59 1qk4 s TYR 27 Cb 0.01 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1qk4 s TYR 27 CO -0.06 0.32 1.00 -0.80 -1.57 0.00 0.00 175.55 174.43 1qk4 s ASN 28 N -3.75 7.35 0.42 2.29 0.01 -1.26 -1.15 114.94 118.85 1qk4 s ASN 28 Ca 0.37 1.70 0.15 0.00 -0.71 0.00 0.00 52.86 54.38 1qk4 s ASN 28 Cb -0.10 -2.57 1.04 0.00 0.41 0.00 0.00 41.25 40.03 1qk4 s ASN 28 CO 0.31 -0.26 1.90 0.00 -1.51 0.00 0.00 177.10 177.54 1qk4 h ALA 29 N 6.70 2.11 0.00 0.60 0.00 -1.34 -1.56 119.26 125.77 1qk4 h ALA 29 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1qk4 h ALA 29 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qk4 h ALA 29 CO 0.75 -0.33 0.00 -0.44 0.00 0.00 0.00 179.25 179.23 1qk4 h ASP 30 N 0.44 0.00 -0.02 0.00 3.32 -1.91 -2.05 116.42 116.19 1qk4 h ASP 30 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1qk4 h ASP 30 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1qk4 h ASP 30 CO -0.14 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.85 1qk4 n ASP 31 N -2.70 0.82 -4.61 6.45 8.00 -0.59 -4.88 116.55 119.04 1qk4 n ASP 31 Ca -0.02 -1.31 -0.27 0.00 0.71 0.00 0.00 54.79 53.90 1qk4 n ASP 31 Cb 0.08 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.98 2.49 -0.36 1.24 0.08 -0.77 -5.09 117.98 113.58 1qk4 s PHE 32 Ca 0.41 -0.57 -0.23 0.00 0.12 0.00 0.00 56.93 56.66 1qk4 s PHE 32 Cb 0.21 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 1qk4 s PHE 32 CO 0.34 0.48 0.77 -1.17 -0.10 0.00 0.00 175.22 175.53 1qk4 s LEU 33 N -3.69 4.15 -0.22 -0.37 2.96 -1.26 -5.02 118.68 115.23 1qk4 s LEU 33 Ca 0.35 0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1qk4 s LEU 33 Cb 0.05 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1qk4 s LEU 33 CO 0.18 -0.72 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.71 1qk4 s VAL 34 N 3.05 2.84 0.65 1.68 1.01 -1.26 -4.98 120.40 123.39 1qk4 s VAL 34 Ca 0.30 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1qk4 s VAL 34 Cb -0.13 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1qk4 s VAL 34 CO 0.17 0.38 1.23 -2.16 0.00 0.00 0.00 175.10 174.72 1qk4 s PRO 35 N 1.38 2.61 0.28 2.72 0.04 -1.26 -4.62 135.00 136.15 1qk4 s PRO 35 Ca 0.04 1.87 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1qk4 s PRO 35 Cb -0.15 -1.88 0.68 0.00 0.04 0.00 0.00 34.50 33.19 1qk4 s PRO 35 CO -0.06 -1.50 1.71 -1.35 0.04 0.00 0.00 177.00 175.84 1qk4 h PRO 36 N 0.44 0.45 0.00 0.56 0.11 -1.99 0.63 132.00 132.20 1qk4 h PRO 36 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qk4 h PRO 36 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qk4 h PRO 36 CO 0.53 0.29 0.00 1.12 -0.21 0.00 0.00 178.00 179.73 1qk4 h HIS 37 N 0.46 0.00 0.00 0.65 2.07 -2.06 -2.85 115.15 113.41 1qk4 h HIS 37 Ca 0.54 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.86 1qk4 h HIS 37 Cb 0.96 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.90 1qk4 h HIS 37 CO -0.12 0.00 -1.89 0.00 -3.07 0.00 0.00 177.93 172.85 1qk4 h LYS 39 N 0.00 0.12 0.00 0.00 3.64 -0.72 -0.92 116.57 118.68 1qk4 h LYS 39 Ca -0.29 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1qk4 h LYS 39 Cb 1.59 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1qk4 h LYS 39 CO 0.02 0.08 -0.08 -1.35 -2.27 0.00 0.00 179.45 175.84 1qk4 h PRO 40 N 0.12 0.00 -0.01 1.90 0.11 -1.87 -3.25 132.00 129.01 1qk4 h PRO 40 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1qk4 h PRO 40 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1qk4 h PRO 40 CO -0.69 0.08 -0.82 0.66 -0.21 0.00 0.00 178.00 177.02 1qk4 n TYR 41 N -4.39 0.00 -4.31 0.65 4.02 -0.37 -4.87 117.16 107.89 1qk4 n TYR 41 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.52 1qk4 n TYR 41 Cb 0.16 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.82 3.60 -0.01 -0.72 -1.09 -1.08 -4.35 121.20 114.72 1qk4 s ILE 42 Ca 0.12 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1qk4 s ILE 42 Cb 0.17 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 1qk4 s ILE 42 CO 0.77 0.47 -0.01 0.47 -1.23 0.00 0.00 174.94 175.41 1qk4 n ASP 43 N 3.96 3.55 -4.20 3.58 8.00 -1.26 -4.81 116.55 125.38 1qk4 n ASP 43 Ca -0.18 -0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.03 1qk4 n ASP 43 Cb 0.52 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.44 1qk4 n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1qk4 s LYS 44 N -2.02 2.34 -0.26 -1.24 1.02 -1.26 -0.92 119.74 117.39 1qk4 s LYS 44 Ca -0.01 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 1qk4 s LYS 44 Cb 0.00 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1qk4 s LYS 44 CO 0.02 0.27 0.18 0.42 -0.92 0.00 0.00 175.35 175.32 1qk4 s ILE 45 N 0.06 5.31 -0.15 2.17 -1.09 -0.30 -1.74 121.20 125.46 1qk4 s ILE 45 Ca -0.07 0.17 -0.25 0.00 -2.23 0.00 0.00 60.65 58.26 1qk4 s ILE 45 Cb -0.14 -3.51 -0.22 0.00 -1.58 0.00 0.00 42.46 37.01 1qk4 s ILE 45 CO 0.04 0.29 0.57 0.25 -1.23 0.00 0.00 174.94 174.86 1qk4 h LEU 46 N 8.02 0.00 -7.41 2.97 5.85 -0.70 0.23 115.31 124.28 1qk4 h LEU 46 Ca -0.36 -0.80 -0.56 0.00 0.84 0.00 0.00 57.88 57.00 1qk4 h LEU 46 Cb 1.18 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.82 1qk4 h LEU 46 CO 0.59 1.08 -0.77 -0.76 -0.34 0.00 0.00 178.44 178.24 1qk4 s LEU 47 N -8.16 1.77 0.44 2.25 1.43 -0.55 -4.72 118.68 111.14 1qk4 s LEU 47 Ca -0.20 -0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 1qk4 s LEU 47 Cb -0.01 -0.83 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 1qk4 s LEU 47 CO 0.62 -0.28 1.04 -2.65 0.23 0.00 0.00 176.35 175.31 1qk4 n PRO 48 N 4.89 1.38 -0.35 1.29 -0.02 -1.26 -0.49 135.00 140.44 1qk4 n PRO 48 Ca -0.10 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 61.91 1qk4 n PRO 48 Cb 0.46 -2.11 0.20 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.49 1.48 1.34 -1.23 0.00 -1.90 -0.92 103.07 103.33 1qk4 h GLY 49 Ca -0.45 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 1qk4 h GLY 49 CO 0.57 0.32 0.01 -1.33 0.00 0.00 0.00 176.54 176.10 1qk4 h GLY 50 N 1.13 0.87 0.98 4.60 0.00 -1.88 -2.11 103.07 106.66 1qk4 h GLY 50 Ca 0.43 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1qk4 h GLY 50 CO -0.17 0.54 0.24 -2.00 0.00 0.00 0.00 176.54 175.15 1qk4 h LEU 51 N 0.76 0.71 -0.43 3.11 5.85 -1.54 -1.45 115.31 122.32 1qk4 h LEU 51 Ca 0.15 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1qk4 h LEU 51 Cb 0.45 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1qk4 h LEU 51 CO 0.02 0.66 -0.12 0.58 -0.34 0.00 0.00 178.44 179.24 1qk4 h VAL 52 N 0.72 0.55 -0.64 1.05 2.07 -1.23 -1.42 116.25 117.34 1qk4 h VAL 52 Ca 0.18 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 1qk4 h VAL 52 Cb 0.15 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1qk4 h VAL 52 CO -0.02 0.00 0.16 0.11 0.02 0.00 0.00 177.57 177.84 1qk4 h LYS 53 N -0.01 1.01 -0.77 1.57 1.57 -1.12 0.25 116.57 119.07 1qk4 h LYS 53 Ca 0.21 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1qk4 h LYS 53 Cb 0.33 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1qk4 h LYS 53 CO -0.45 0.89 0.37 -0.44 -0.57 0.00 0.00 179.45 179.25 1qk4 h ASP 54 N 0.96 1.01 -0.29 0.86 3.32 -0.80 -1.37 116.42 120.11 1qk4 h ASP 54 Ca 0.21 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 1qk4 h ASP 54 Cb 0.33 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1qk4 h ASP 54 CO -0.00 0.86 -0.44 -0.09 -1.72 0.00 0.00 179.24 177.84 1qk4 h ARG 55 N 1.09 0.86 -0.30 3.56 9.65 -0.80 -2.80 114.38 125.64 1qk4 h ARG 55 Ca 0.26 -0.48 -0.06 0.00 -1.10 0.00 0.00 59.98 58.61 1qk4 h ARG 55 Cb 0.12 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1qk4 h ARG 55 CO -0.03 1.12 -0.06 0.28 2.80 0.00 0.00 179.97 184.08 1qk4 h VAL 56 N 0.69 1.21 -0.51 0.20 2.07 -0.64 -0.96 116.25 118.30 1qk4 h VAL 56 Ca 0.04 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1qk4 h VAL 56 Cb 1.03 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1qk4 h VAL 56 CO 0.10 0.29 0.28 -0.08 0.02 0.00 0.00 177.57 178.18 1qk4 h GLU 57 N 0.45 0.70 -0.34 1.57 4.81 -1.09 0.14 114.58 120.82 1qk4 h GLU 57 Ca 0.09 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1qk4 h GLU 57 Cb 0.39 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1qk4 h GLU 57 CO 0.02 0.54 0.07 -0.22 -0.73 0.00 0.00 179.01 178.69 1qk4 h LYS 58 N 0.67 0.54 -0.52 1.92 1.63 -1.12 -1.72 116.57 117.98 1qk4 h LYS 58 Ca 0.18 -0.14 0.07 0.00 -0.85 0.00 0.00 60.65 59.91 1qk4 h LYS 58 Cb 0.04 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.54 1qk4 h LYS 58 CO -0.03 0.61 0.21 -0.07 -3.45 0.00 0.00 179.45 176.72 1qk4 h LEU 59 N 0.39 0.24 -0.90 5.20 3.38 -0.85 -1.42 115.31 121.36 1qk4 h LEU 59 Ca 0.10 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1qk4 h LEU 59 Cb 0.31 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1qk4 h LEU 59 CO 0.00 0.16 0.57 0.00 0.09 0.00 0.00 178.44 179.26 1qk4 h ALA 60 N 1.33 1.24 -0.77 1.53 0.00 -0.83 0.18 119.26 121.93 1qk4 h ALA 60 Ca 0.25 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1qk4 h ALA 60 Cb 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1qk4 h ALA 60 CO -0.23 0.33 0.35 -0.92 0.00 0.00 0.00 179.25 178.78 1qk4 h TYR 61 N 1.04 1.14 -0.67 0.00 3.20 -0.93 0.21 116.97 120.96 1qk4 h TYR 61 Ca 0.39 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1qk4 h TYR 61 Cb 0.16 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1qk4 h TYR 61 CO -0.02 0.84 0.30 -0.44 -1.64 0.00 0.00 178.16 177.20 1qk4 h ASP 62 N 1.10 0.89 -0.58 -2.11 3.32 -0.33 -1.54 116.42 117.18 1qk4 h ASP 62 Ca 0.26 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1qk4 h ASP 62 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1qk4 h ASP 62 CO -0.03 0.79 -0.05 0.40 -1.72 0.00 0.00 179.24 178.63 1qk4 h ILE 63 N 0.93 1.27 -0.70 0.35 2.04 -0.32 -1.73 117.51 119.34 1qk4 h ILE 63 Ca 0.23 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1qk4 h ILE 63 Cb 0.15 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1qk4 h ILE 63 CO -0.03 0.44 0.46 -0.74 0.00 0.00 0.00 178.15 178.28 1qk4 h HIS 64 N 0.96 0.89 -0.35 1.37 2.76 -0.27 -1.47 115.15 119.05 1qk4 h HIS 64 Ca 0.16 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 1qk4 h HIS 64 Cb 0.62 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1qk4 h HIS 64 CO 0.04 0.57 -0.10 0.00 -1.30 0.00 0.00 177.93 177.15 1qk4 h ARG 65 N 0.95 0.68 -0.23 5.26 3.08 -1.04 -1.62 114.38 121.45 1qk4 h ARG 65 Ca 0.26 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1qk4 h ARG 65 Cb -0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1qk4 h ARG 65 CO -0.05 0.85 0.11 1.15 -1.07 0.00 0.00 179.97 180.95 1qk4 h THR 66 N 0.46 0.98 -0.62 2.04 2.02 -0.84 -3.17 112.91 113.78 1qk4 h THR 66 Ca 0.09 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1qk4 h THR 66 Cb 0.61 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1qk4 h THR 66 CO 0.04 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1qk4 n TYR 67 N -5.00 1.36 -1.64 3.16 4.02 -0.60 -2.57 117.16 115.90 1qk4 n TYR 67 Ca -0.02 -0.61 -0.52 0.00 -0.01 0.00 0.00 57.90 56.74 1qk4 n TYR 67 Cb 0.06 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.11 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 1.07 1.84 -1.36 -0.72 7.35 -0.61 -1.35 117.46 123.67 1qk4 n PHE 68 Ca 0.25 0.49 -0.10 0.00 -0.76 0.00 0.00 57.45 57.33 1qk4 n PHE 68 Cb 0.84 -2.43 -0.04 0.00 0.35 0.00 0.00 39.48 38.20 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 3.23 1.10 3.29 7.13 0.00 -1.26 -4.98 105.19 113.71 1qk4 n GLY 69 Ca 0.20 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.00 1.14 0.04 1.61 0.41 -0.46 -5.00 118.70 113.45 1qk4 s GLU 70 Ca 0.00 -1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 53.05 1qk4 s GLU 70 Cb 0.00 -1.36 -0.05 0.00 -1.78 0.00 0.00 34.13 30.94 1qk4 s GLU 70 CO 0.00 0.31 1.21 -2.00 -0.49 0.00 0.00 175.26 174.29 1qk4 s GLU 71 N -2.07 4.41 -0.14 1.61 2.12 -1.26 -4.94 118.70 118.42 1qk4 s GLU 71 Ca 0.08 1.77 0.00 0.00 0.36 0.00 0.00 54.97 57.18 1qk4 s GLU 71 Cb -0.09 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1qk4 s GLU 71 CO 0.05 -0.31 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.17 1qk4 s LEU 72 N 1.31 1.59 -0.35 2.70 2.96 -1.26 -4.23 118.68 121.40 1qk4 s LEU 72 Ca 0.59 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 1qk4 s LEU 72 Cb -0.29 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 1qk4 s LEU 72 CO 0.28 -0.08 0.22 -1.00 -1.32 0.00 0.00 176.35 174.45 1qk4 s HIS 73 N 1.54 3.22 -0.14 5.38 3.76 -0.70 -0.84 115.29 127.51 1qk4 s HIS 73 Ca 0.05 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1qk4 s HIS 73 Cb -0.13 -2.45 -0.02 0.00 1.11 0.00 0.00 32.58 31.08 1qk4 s HIS 73 CO -0.10 -0.46 -0.08 -1.50 -0.85 0.00 0.00 174.74 171.75 1qk4 s ILE 74 N 1.66 3.52 -0.22 0.60 2.07 -0.61 -0.87 121.20 127.35 1qk4 s ILE 74 Ca 0.05 -0.50 -0.05 0.00 -1.41 0.00 0.00 60.65 58.75 1qk4 s ILE 74 Cb -0.18 -2.51 -0.01 0.00 0.13 0.00 0.00 42.46 39.89 1qk4 s ILE 74 CO 0.09 0.52 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.99 1qk4 s ILE 75 N 0.24 3.63 -0.21 2.00 1.01 0.11 -1.12 121.20 126.86 1qk4 s ILE 75 Ca -0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 1qk4 s ILE 75 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1qk4 s ILE 75 CO 0.04 0.41 0.67 0.00 0.00 0.00 0.00 174.94 176.06 1qk4 s ILE 77 N 2.08 4.57 0.58 0.00 -1.09 -0.94 -1.32 121.20 125.08 1qk4 s ILE 77 Ca 0.30 0.08 -0.15 0.00 -2.23 0.00 0.00 60.65 58.64 1qk4 s ILE 77 Cb -0.16 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 1qk4 s ILE 77 CO 0.10 -0.96 1.03 -0.76 -1.23 0.00 0.00 174.94 173.12 1qk4 s LEU 78 N 3.46 3.48 -0.03 2.97 1.43 0.18 -1.92 118.68 128.26 1qk4 s LEU 78 Ca 0.26 1.69 0.06 0.00 -1.03 0.00 0.00 54.13 55.11 1qk4 s LEU 78 Cb -0.14 -4.52 -0.24 0.00 0.03 0.00 0.00 46.19 41.32 1qk4 s LEU 78 CO 0.18 -1.00 0.71 0.11 0.23 0.00 0.00 176.35 176.58 1qk4 h LYS 79 N 0.41 0.09 -0.97 1.70 1.57 -1.87 -3.28 116.57 114.21 1qk4 h LYS 79 Ca -0.46 -0.16 0.18 0.00 -1.87 0.00 0.00 60.65 58.34 1qk4 h LYS 79 Cb 1.21 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1qk4 h LYS 79 CO 0.59 0.78 0.57 0.78 -0.57 0.00 0.00 179.45 181.60 1qk4 h GLY 80 N 2.71 1.70 1.97 3.86 0.00 -1.84 -2.70 103.07 108.76 1qk4 h GLY 80 Ca -0.27 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1qk4 h GLY 80 CO 0.10 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 178.03 1qk4 n SER 81 N -4.79 0.00 -0.35 0.19 7.64 -0.81 -4.30 113.62 111.20 1qk4 n SER 81 Ca 0.22 0.46 -0.09 0.00 1.01 0.00 0.00 58.87 60.47 1qk4 n SER 81 Cb 0.54 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1qk4 n SER 81 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qk4 n ARG 82 N -1.48 -0.36 0.01 1.43 0.00 -1.02 -0.38 116.66 114.86 1qk4 n ARG 82 Ca 0.05 1.28 -0.12 0.00 -0.00 0.00 0.00 57.85 59.05 1qk4 n ARG 82 Cb 0.23 -1.88 -0.08 0.00 0.00 0.00 0.00 32.46 30.73 1qk4 n ARG 82 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1qk4 h GLY 83 N 0.00 0.03 0.90 5.14 0.00 -1.85 -0.47 103.07 106.82 1qk4 h GLY 83 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1qk4 h GLY 83 CO -0.80 0.02 0.10 -2.75 0.00 0.00 0.00 176.54 173.11 1qk4 h PHE 84 N -0.13 0.40 -0.38 5.60 3.57 -1.73 -1.62 116.94 122.64 1qk4 h PHE 84 Ca 0.01 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1qk4 h PHE 84 Cb 0.17 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1qk4 h PHE 84 CO -0.02 0.42 0.25 0.35 -2.23 0.00 0.00 178.31 177.08 1qk4 h PHE 85 N 0.26 0.47 -0.73 0.41 3.57 -0.73 0.71 116.94 120.91 1qk4 h PHE 85 Ca 0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1qk4 h PHE 85 Cb 0.20 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1qk4 h PHE 85 CO -0.00 0.29 0.20 -0.91 -2.23 0.00 0.00 178.31 175.65 1qk4 h ASN 86 N 0.51 1.09 -0.28 0.41 -0.26 -0.90 -1.34 115.58 114.80 1qk4 h ASN 86 Ca 0.14 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1qk4 h ASN 86 Cb -0.05 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 36.91 1qk4 h ASN 86 CO -0.03 1.03 0.13 -0.07 -1.06 0.00 0.00 177.43 177.42 1qk4 h LEU 87 N 1.10 0.38 -0.15 1.61 3.38 -0.63 -2.58 115.31 118.42 1qk4 h LEU 87 Ca 0.23 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1qk4 h LEU 87 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1qk4 h LEU 87 CO -0.00 0.42 0.06 0.25 0.09 0.00 0.00 178.44 179.26 1qk4 h LEU 88 N 0.32 0.09 -0.90 1.67 5.85 -0.63 -1.77 115.31 119.94 1qk4 h LEU 88 Ca 0.10 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1qk4 h LEU 88 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1qk4 h LEU 88 CO -0.01 0.07 -0.51 0.16 -0.34 0.00 0.00 178.44 177.82 1qk4 h ILE 89 N 0.14 1.36 -0.34 4.05 3.07 -1.25 0.12 117.51 124.66 1qk4 h ILE 89 Ca 0.06 -1.75 -0.02 0.00 1.55 0.00 0.00 64.86 64.70 1qk4 h ILE 89 Cb 0.02 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.45 1qk4 h ILE 89 CO -0.05 0.51 0.14 0.44 -1.05 0.00 0.00 178.15 178.13 1qk4 h ASP 90 N 0.09 0.47 -0.58 2.16 3.32 -1.22 -1.92 116.42 118.74 1qk4 h ASP 90 Ca 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 1qk4 h ASP 90 Cb 0.93 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1qk4 h ASP 90 CO 0.07 0.51 0.06 1.88 -1.72 0.00 0.00 179.24 180.04 1qk4 h TYR 91 N 0.41 1.05 -0.67 4.55 0.99 -1.01 -1.85 116.97 120.44 1qk4 h TYR 91 Ca 0.11 -0.16 0.03 0.00 2.00 0.00 0.00 58.73 60.71 1qk4 h TYR 91 Cb 0.19 -0.28 -0.04 0.00 1.00 0.00 0.00 36.73 37.59 1qk4 h TYR 91 CO -0.00 0.92 0.42 -0.07 -0.00 0.00 0.00 178.16 179.43 1qk4 h LEU 92 N 0.87 0.68 -0.53 3.88 3.38 -0.69 0.22 115.31 123.12 1qk4 h LEU 92 Ca 0.17 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1qk4 h LEU 92 Cb 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1qk4 h LEU 92 CO 0.02 0.48 0.11 0.00 0.09 0.00 0.00 178.44 179.13 1qk4 h ALA 93 N 1.28 0.70 -0.46 1.53 0.00 -1.12 -1.80 119.26 119.40 1qk4 h ALA 93 Ca 0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1qk4 h ALA 93 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1qk4 h ALA 93 CO -0.10 0.42 -0.23 1.15 0.00 0.00 0.00 179.25 180.49 1qk4 h THR 94 N 0.76 1.27 -0.34 0.00 2.02 -0.80 -0.19 112.91 115.62 1qk4 h THR 94 Ca 0.16 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1qk4 h THR 94 Cb 0.37 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1qk4 h THR 94 CO 0.01 0.47 0.14 0.40 0.37 0.00 0.00 175.52 176.91 1qk4 h ILE 95 N 0.81 1.19 -0.52 3.11 2.04 -0.52 -0.89 117.51 122.72 1qk4 h ILE 95 Ca 0.10 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1qk4 h ILE 95 Cb 0.79 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1qk4 h ILE 95 CO 0.07 0.20 0.34 -0.61 0.00 0.00 0.00 178.15 178.15 1qk4 h GLN 96 N 0.40 0.70 -1.01 2.37 4.15 -1.18 0.52 115.11 121.06 1qk4 h GLN 96 Ca 0.11 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1qk4 h GLN 96 Cb 0.18 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 1qk4 h GLN 96 CO -0.01 0.47 0.66 -0.22 -1.93 0.00 0.00 178.83 177.81 1qk4 h LYS 97 N 0.71 1.30 -0.01 1.69 3.64 -0.39 -2.57 116.57 120.94 1qk4 h LYS 97 Ca 0.19 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1qk4 h LYS 97 Cb -0.06 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 1qk4 h LYS 97 CO -0.04 0.86 -0.38 0.66 -2.27 0.00 0.00 179.45 178.28 1qk4 n TYR 98 N -4.40 0.00 -1.81 1.91 0.53 -0.40 -4.96 117.16 108.03 1qk4 n TYR 98 Ca 0.12 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.60 1qk4 n TYR 98 Cb 0.04 -0.12 -0.00 0.00 -1.03 0.00 0.00 39.34 38.22 1qk4 n TYR 98 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1qk4 s SER 99 N -2.62 6.33 0.00 7.72 1.04 0.12 -4.89 113.70 121.40 1qk4 s SER 99 Ca 0.20 3.03 0.27 0.00 0.48 0.00 0.00 55.95 59.94 1qk4 s SER 99 Cb 0.19 -2.67 1.24 0.00 0.10 0.00 0.00 66.02 64.88 1qk4 s SER 99 CO 0.58 -0.88 1.89 0.61 0.98 0.00 0.00 173.24 176.43 1qk4 n GLY 100 N 0.47 -1.33 3.03 7.32 0.00 -1.26 -4.40 105.19 109.01 1qk4 n GLY 100 Ca 0.01 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1qk4 n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qk4 s ARG 101 N -2.83 1.70 0.49 1.61 3.52 -1.26 -5.10 118.95 117.08 1qk4 s ARG 101 Ca 0.18 -1.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.05 1qk4 s ARG 101 Cb 0.18 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1qk4 s ARG 101 CO 0.46 -0.82 0.80 -1.83 -0.81 0.00 0.00 175.30 173.10 1qk4 s GLU 102 N 0.99 3.53 -0.02 5.12 -1.05 -1.26 -5.09 118.70 120.92 1qk4 s GLU 102 Ca 0.04 0.22 -0.07 0.00 -0.15 0.00 0.00 54.97 55.01 1qk4 s GLU 102 Cb -0.19 -2.36 0.01 0.00 -0.44 0.00 0.00 34.13 31.14 1qk4 s GLU 102 CO -0.07 -0.23 0.15 0.45 0.95 0.00 0.00 175.26 176.50 1qk4 s SER 103 N -4.11 -0.04 0.00 0.83 0.15 -1.26 -5.03 113.70 104.24 1qk4 s SER 103 Ca 0.48 -0.04 0.24 0.00 0.70 0.00 0.00 55.95 57.32 1qk4 s SER 103 Cb -0.10 0.25 0.89 0.00 -1.71 0.00 0.00 66.02 65.34 1qk4 s SER 103 CO 0.45 -0.28 1.64 -1.54 1.20 0.00 0.00 173.24 174.71 1qk4 n SER 104 N 1.89 1.56 -4.73 5.45 3.41 -1.26 -4.82 113.62 115.13 1qk4 n SER 104 Ca -0.20 -1.61 -0.36 0.00 -0.26 0.00 0.00 58.87 56.44 1qk4 n SER 104 Cb 0.56 -0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.38 1qk4 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qk4 s VAL 105 N -1.88 5.37 0.73 -3.33 1.01 -1.26 -5.07 120.40 115.97 1qk4 s VAL 105 Ca 0.35 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 1qk4 s VAL 105 Cb 0.19 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1qk4 s VAL 105 CO 0.29 0.42 0.93 -2.65 0.00 0.00 0.00 175.10 174.10 1qk4 n PRO 106 N 3.54 0.46 0.29 2.72 -0.02 -1.26 -4.88 135.00 135.85 1qk4 n PRO 106 Ca -0.14 0.21 0.16 0.00 -2.02 0.00 0.00 63.50 61.71 1qk4 n PRO 106 Cb 0.52 -2.20 0.89 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.31 0.00 -1.83 0.52 0.13 -1.94 -3.44 132.00 125.13 1qk4 h PRO 107 Ca -0.47 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.92 1qk4 h PRO 107 Cb 1.33 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.36 1qk4 h PRO 107 CO 0.46 0.05 0.69 -0.59 -0.23 0.00 0.00 178.00 178.38 1qk4 s PHE 108 N -4.30 -0.08 -0.13 1.56 -0.12 -1.26 -4.73 117.98 108.93 1qk4 s PHE 108 Ca -0.04 -0.11 -0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1qk4 s PHE 108 Cb 0.13 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.14 1qk4 s PHE 108 CO 0.53 -0.51 -0.08 -0.06 -0.05 0.00 0.00 175.22 175.06 1qk4 s PHE 109 N -2.78 1.59 0.22 3.49 0.40 -0.02 -4.94 117.98 115.94 1qk4 s PHE 109 Ca 0.14 -0.85 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 1qk4 s PHE 109 Cb 0.02 -1.28 -0.08 0.00 0.51 0.00 0.00 43.02 42.19 1qk4 s PHE 109 CO -0.01 -0.55 0.67 -1.83 0.70 0.00 0.00 175.22 174.20 1qk4 s GLU 110 N 1.67 4.12 0.01 0.44 -1.05 -1.26 -1.58 118.70 121.05 1qk4 s GLU 110 Ca 0.04 0.71 -0.07 0.00 -0.15 0.00 0.00 54.97 55.51 1qk4 s GLU 110 Cb -0.13 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 1qk4 s GLU 110 CO -0.08 0.37 0.13 -1.01 0.95 0.00 0.00 175.26 175.62 1qk4 s HIS 111 N -1.60 0.05 -0.03 4.83 3.76 -0.27 -4.92 115.29 117.10 1qk4 s HIS 111 Ca 0.44 -0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.22 1qk4 s HIS 111 Cb -0.15 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.49 1qk4 s HIS 111 CO 0.20 -0.29 -0.11 0.71 -0.85 0.00 0.00 174.74 174.40 1qk4 s TYR 112 N -1.44 1.11 0.05 1.40 1.51 -1.26 -0.25 117.35 118.47 1qk4 s TYR 112 Ca -0.14 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1qk4 s TYR 112 Cb -0.07 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.96 1qk4 s TYR 112 CO 0.01 -0.12 -0.06 0.14 -1.11 0.00 0.00 175.55 174.42 1qk4 s VAL 113 N 0.20 0.44 -0.17 0.71 -7.23 -0.43 -4.60 120.40 109.31 1qk4 s VAL 113 Ca -0.04 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1qk4 s VAL 113 Cb -0.10 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.90 1qk4 s VAL 113 CO 0.01 -0.64 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.38 1qk4 s ARG 114 N -2.53 2.80 -0.08 4.82 6.06 -0.24 0.51 118.95 130.28 1qk4 s ARG 114 Ca -0.03 -0.76 0.02 0.00 -2.50 0.00 0.00 55.73 52.46 1qk4 s ARG 114 Cb -0.03 -2.45 -0.02 0.00 0.06 0.00 0.00 34.95 32.51 1qk4 s ARG 114 CO -0.03 -0.22 -0.13 -0.51 -2.50 0.00 0.00 175.30 171.91 1qk4 s LEU 115 N 1.34 2.75 -0.25 -0.88 1.43 -1.24 -1.66 118.68 120.18 1qk4 s LEU 115 Ca 0.05 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1qk4 s LEU 115 Cb -0.13 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1qk4 s LEU 115 CO -0.12 0.27 -0.07 -0.54 0.23 0.00 0.00 176.35 176.12 1qk4 s LYS 116 N -0.29 1.84 -0.10 1.70 1.02 -1.11 -4.82 119.74 117.99 1qk4 s LYS 116 Ca 0.02 -1.16 -0.10 0.00 0.02 0.00 0.00 55.97 54.75 1qk4 s LYS 116 Cb -0.13 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1qk4 s LYS 116 CO 0.03 -0.61 0.22 -1.12 -0.92 0.00 0.00 175.35 172.95 1qk4 s SER 117 N 1.27 6.48 -0.38 2.83 0.01 -1.26 -1.21 113.70 121.42 1qk4 s SER 117 Ca -0.06 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1qk4 s SER 117 Cb -0.19 -2.12 0.13 0.00 0.21 0.00 0.00 66.02 64.04 1qk4 s SER 117 CO -0.06 0.34 0.20 -0.31 0.41 0.00 0.00 173.24 173.82 1qk4 s TYR 118 N -0.79 1.53 -0.28 2.43 1.51 -0.20 -5.01 117.35 116.54 1qk4 s TYR 118 Ca 0.17 -2.01 -0.10 0.00 -1.01 0.00 0.00 57.07 54.12 1qk4 s TYR 118 Cb -0.13 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1qk4 s TYR 118 CO 0.06 -0.82 0.15 -0.65 -1.11 0.00 0.00 175.55 173.18 1qk4 s GLN 119 N 0.88 3.73 0.00 -0.62 -0.21 -1.26 -1.28 119.66 120.90 1qk4 s GLN 119 Ca 0.16 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.08 1qk4 s GLN 119 Cb -0.22 -3.56 0.00 0.00 1.00 0.00 0.00 33.01 30.23 1qk4 s GLN 119 CO -0.06 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 1qk4 n GLY 125 N 5.01 1.04 3.17 3.09 0.00 -1.26 -5.23 105.19 111.02 1qk4 n GLY 125 Ca -0.15 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1qk4 n GLY 125 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qk4 s GLN 126 N 0.00 0.83 -0.09 1.61 -2.07 -0.41 -5.14 119.66 114.39 1qk4 s GLN 126 Ca 0.00 -0.97 0.01 0.00 -1.82 0.00 0.00 55.36 52.58 1qk4 s GLN 126 Cb 0.00 -0.82 0.02 0.00 -1.09 0.00 0.00 33.01 31.12 1qk4 s GLN 126 CO 0.00 0.18 -0.12 -1.17 -1.32 0.00 0.00 175.29 172.86 1qk4 s LEU 127 N -1.78 1.53 0.20 2.60 2.96 -1.26 -1.03 118.68 121.89 1qk4 s LEU 127 Ca -0.01 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1qk4 s LEU 127 Cb -0.10 -0.91 -0.07 0.00 0.50 0.00 0.00 46.19 45.61 1qk4 s LEU 127 CO 0.02 -0.02 0.52 -0.89 -1.32 0.00 0.00 176.35 174.66 1qk4 s THR 128 N 1.09 4.96 -0.07 3.68 2.01 -0.35 -4.96 115.64 122.00 1qk4 s THR 128 Ca -0.06 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1qk4 s THR 128 Cb -0.14 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1qk4 s THR 128 CO -0.02 0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.17 1qk4 s VAL 129 N -1.71 0.81 -0.32 3.82 1.01 -1.26 -2.74 120.40 120.00 1qk4 s VAL 129 Ca 0.44 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1qk4 s VAL 129 Cb -0.12 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1qk4 s VAL 129 CO 0.21 0.30 0.03 -0.22 0.00 0.00 0.00 175.10 175.42 1qk4 s LEU 130 N 1.12 4.33 0.11 3.92 2.96 -0.66 -4.99 118.68 125.48 1qk4 s LEU 130 Ca -0.07 -1.73 -0.26 0.00 -0.22 0.00 0.00 54.13 51.85 1qk4 s LEU 130 Cb -0.14 -1.67 0.07 0.00 0.50 0.00 0.00 46.19 44.95 1qk4 s LEU 130 CO -0.01 -0.34 0.87 -0.94 -1.32 0.00 0.00 176.35 174.61 1qk4 s SER 131 N 1.22 -0.29 1.20 3.68 1.04 -1.26 -1.08 113.70 118.21 1qk4 s SER 131 Ca 0.02 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.01 1qk4 s SER 131 Cb -0.20 0.49 0.29 0.00 0.10 0.00 0.00 66.02 66.70 1qk4 s SER 131 CO -0.05 -0.86 1.11 -1.81 0.98 0.00 0.00 173.24 172.61 1qk4 s ASP 132 N -2.77 0.91 0.25 7.02 1.01 -1.26 -4.91 116.67 116.92 1qk4 s ASP 132 Ca 0.08 0.61 -0.31 0.00 0.71 0.00 0.00 52.55 53.65 1qk4 s ASP 132 Cb -0.02 -0.84 -0.12 0.00 1.01 0.00 0.00 42.92 42.95 1qk4 s ASP 132 CO -0.03 -4.13 1.65 -0.67 0.21 0.00 0.00 175.17 172.21 1qk4 n ASP 133 N -4.76 3.91 0.03 0.27 2.03 -1.26 -4.89 116.55 111.88 1qk4 n ASP 133 Ca 0.13 1.11 0.13 0.00 0.52 0.00 0.00 54.79 56.68 1qk4 n ASP 133 Cb 0.60 -1.58 0.54 0.00 -0.72 0.00 0.00 41.12 39.96 1qk4 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1qk4 n LEU 134 N 2.99 0.19 0.31 -2.67 4.77 -1.26 -3.59 117.00 117.74 1qk4 n LEU 134 Ca 0.12 0.52 0.17 0.00 -0.03 0.00 0.00 56.01 56.79 1qk4 n LEU 134 Cb 0.36 -0.46 0.99 0.00 -2.33 0.00 0.00 43.42 41.97 1qk4 n LEU 134 CO 0.64 -0.08 1.14 0.77 -1.33 0.00 0.00 177.39 178.53 1qk4 h SER 135 N 0.00 0.00 -0.77 -1.43 4.64 -1.94 -1.09 113.55 112.95 1qk4 h SER 135 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 1qk4 h SER 135 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1qk4 h SER 135 CO 0.00 0.01 0.58 -0.29 -0.87 0.00 0.00 176.83 176.26 1qk4 h ILE 136 N 0.00 0.55 0.00 0.95 2.10 -1.96 -0.81 117.51 118.34 1qk4 h ILE 136 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qk4 h ILE 136 Cb 0.02 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 1qk4 h ILE 136 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1qk4 n PHE 137 N -4.20 0.00 -1.65 2.19 3.01 -0.41 -4.79 117.46 111.61 1qk4 n PHE 137 Ca 0.16 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.13 1qk4 n PHE 137 Cb 0.87 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 40.03 1qk4 n PHE 137 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qk4 n ARG 138 N -1.26 1.76 -1.27 -1.08 0.63 -0.31 -1.74 116.66 113.40 1qk4 n ARG 138 Ca 0.15 0.64 -0.09 0.00 -0.92 0.00 0.00 57.85 57.63 1qk4 n ARG 138 Cb 0.23 -2.37 -0.04 0.00 0.45 0.00 0.00 32.46 30.73 1qk4 n ARG 138 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1qk4 n ASP 139 N 3.67 -4.95 -4.80 6.15 2.03 -0.26 -4.85 116.55 113.54 1qk4 n ASP 139 Ca 0.19 0.23 -0.25 0.00 0.52 0.00 0.00 54.79 55.48 1qk4 n ASP 139 Cb 0.25 -3.27 -0.05 0.00 -0.72 0.00 0.00 41.12 37.33 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 -2.56 2.89 -0.29 -0.67 1.02 -0.71 -4.21 119.74 115.21 1qk4 s LYS 140 Ca 0.00 -0.95 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 1qk4 s LYS 140 Cb 0.00 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1qk4 s LYS 140 CO 0.00 0.45 0.94 -1.01 -0.92 0.00 0.00 175.35 174.81 1qk4 s HIS 141 N -1.89 3.23 -0.10 3.18 3.76 -1.26 -0.34 115.29 121.86 1qk4 s HIS 141 Ca 0.31 1.12 0.01 0.00 -0.15 0.00 0.00 55.06 56.36 1qk4 s HIS 141 Cb -0.09 -3.36 -0.02 0.00 1.11 0.00 0.00 32.58 30.22 1qk4 s HIS 141 CO 0.24 -0.59 -0.14 0.08 -0.85 0.00 0.00 174.74 173.47 1qk4 s VAL 142 N 3.22 2.98 -0.24 -0.90 1.01 0.09 -1.72 120.40 124.84 1qk4 s VAL 142 Ca 0.39 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1qk4 s VAL 142 Cb -0.14 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.08 1qk4 s VAL 142 CO 0.11 0.55 -0.10 -0.22 0.00 0.00 0.00 175.10 175.44 1qk4 s LEU 143 N 0.03 3.00 -0.16 3.92 2.96 -0.05 -0.37 118.68 128.01 1qk4 s LEU 143 Ca -0.05 -1.23 -0.21 0.00 -0.22 0.00 0.00 54.13 52.42 1qk4 s LEU 143 Cb -0.14 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1qk4 s LEU 143 CO 0.04 -0.18 0.62 -0.63 -1.32 0.00 0.00 176.35 174.88 1qk4 s ILE 144 N 1.22 5.05 -0.25 6.68 1.01 0.21 -0.71 121.20 134.40 1qk4 s ILE 144 Ca -0.06 1.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.71 1qk4 s ILE 144 Cb -0.19 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1qk4 s ILE 144 CO -0.06 0.17 0.06 -0.69 0.00 0.00 0.00 174.94 174.41 1qk4 s VAL 145 N 1.54 4.10 0.07 2.92 1.01 0.17 -0.05 120.40 130.16 1qk4 s VAL 145 Ca 0.30 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.04 1qk4 s VAL 145 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1qk4 s VAL 145 CO 0.12 0.30 -0.22 -0.70 0.00 0.00 0.00 175.10 174.60 1qk4 s GLU 146 N 1.57 1.35 -0.03 2.72 2.56 -0.05 -2.21 118.70 124.61 1qk4 s GLU 146 Ca 0.06 -1.05 -0.23 0.00 0.00 0.00 0.00 54.97 53.74 1qk4 s GLU 146 Cb -0.15 -1.54 -0.17 0.00 2.00 0.00 0.00 34.13 34.27 1qk4 s GLU 146 CO 0.02 0.38 1.08 0.38 -0.56 0.00 0.00 175.26 176.56 1qk4 h ASP 147 N 4.55 -0.19 -4.79 -1.70 -0.00 -1.86 -2.86 116.42 109.56 1qk4 h ASP 147 Ca -0.45 -0.33 -0.15 0.00 -0.00 0.00 0.00 57.03 56.10 1qk4 h ASP 147 Cb 1.17 0.05 -0.21 0.00 -0.00 0.00 0.00 39.33 40.33 1qk4 h ASP 147 CO 0.42 0.29 -0.50 -0.51 -0.00 0.00 0.00 179.24 178.95 1qk4 s ILE 148 N -3.99 0.07 -0.19 4.15 2.07 -1.26 -2.20 121.20 119.85 1qk4 s ILE 148 Ca -0.14 -0.58 -0.05 0.00 -1.41 0.00 0.00 60.65 58.47 1qk4 s ILE 148 Cb 0.01 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1qk4 s ILE 148 CO 0.54 -0.32 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.55 1qk4 s VAL 149 N -1.15 3.92 0.00 4.00 1.01 -0.64 -5.00 120.40 122.53 1qk4 s VAL 149 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1qk4 s VAL 149 Cb -0.07 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1qk4 s VAL 149 CO 0.01 0.45 0.00 -0.67 0.00 0.00 0.00 175.10 174.89 1qk4 n ASP 150 N 4.07 0.00 0.17 3.32 -0.08 -1.26 -1.45 116.55 121.31 1qk4 n ASP 150 Ca -0.17 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.18 1qk4 n ASP 150 Cb 0.52 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.06 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 0.39 0.00 5.18 1.35 -1.95 -3.41 112.91 114.47 1qk4 h THR 151 Ca 0.00 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 1qk4 h THR 151 Cb 0.00 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1qk4 h THR 151 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1qk4 n GLY 152 N 1.18 1.31 0.27 5.82 0.00 -1.26 -1.07 105.19 111.44 1qk4 n GLY 152 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.63 -0.43 1.61 3.57 -1.95 -1.62 116.94 117.48 1qk4 h PHE 153 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1qk4 h PHE 153 Cb 0.00 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 1qk4 h PHE 153 CO 0.00 -0.32 -0.05 1.15 -2.23 0.00 0.00 178.31 176.86 1qk4 h THR 154 N -0.32 0.62 0.00 4.41 2.02 -2.00 -1.89 112.91 115.75 1qk4 h THR 154 Ca 0.09 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 1qk4 h THR 154 Cb 0.45 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1qk4 h THR 154 CO -0.28 0.01 -0.61 -0.07 0.37 0.00 0.00 175.52 174.93 1qk4 h LEU 155 N 0.05 0.00 0.01 2.58 3.38 -1.96 -1.83 115.31 117.55 1qk4 h LEU 155 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1qk4 h LEU 155 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1qk4 h LEU 155 CO -0.40 0.61 -0.01 0.74 0.09 0.00 0.00 178.44 179.48 1qk4 h THR 156 N 0.00 1.27 0.00 0.22 2.02 -1.01 0.10 112.91 115.52 1qk4 h THR 156 Ca -0.01 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1qk4 h THR 156 Cb 1.23 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1qk4 h THR 156 CO 0.08 0.22 -0.23 1.05 0.37 0.00 0.00 175.52 177.02 1qk4 h GLU 157 N -0.39 0.00 -0.14 6.66 -0.00 -1.38 -1.48 114.58 117.85 1qk4 h GLU 157 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 59.18 1qk4 h GLU 157 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1qk4 h GLU 157 CO 0.00 0.23 -0.65 0.35 -0.00 0.00 0.00 179.01 178.94 1qk4 h PHE 158 N 0.00 0.68 -0.54 2.06 3.57 -1.34 -2.64 116.94 118.73 1qk4 h PHE 158 Ca -0.00 -0.27 0.04 0.00 3.53 0.00 0.00 57.97 61.27 1qk4 h PHE 158 Cb 1.09 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 1qk4 h PHE 158 CO 0.00 1.02 0.30 0.78 -2.23 0.00 0.00 178.31 178.18 1qk4 h GLY 159 N 1.10 0.76 1.12 2.40 0.00 -0.31 -1.27 103.07 106.86 1qk4 h GLY 159 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1qk4 h GLY 159 CO 0.12 0.15 0.31 0.83 0.00 0.00 0.00 176.54 177.95 1qk4 h GLU 160 N 0.58 1.13 0.00 4.80 4.39 -1.14 -0.44 114.58 123.88 1qk4 h GLU 160 Ca 0.23 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1qk4 h GLU 160 Cb 0.10 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1qk4 h GLU 160 CO -0.14 0.91 -0.34 0.00 -1.16 0.00 0.00 179.01 178.29 1qk4 h ARG 161 N 1.10 0.00 0.13 2.33 3.08 -1.06 -2.77 114.38 117.20 1qk4 h ARG 161 Ca 0.26 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.05 1qk4 h ARG 161 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.27 1qk4 h ARG 161 CO -0.02 0.34 -1.08 1.25 -1.07 0.00 0.00 179.97 179.38 1qk4 h LEU 162 N 0.00 0.73 -1.78 3.04 5.85 -0.62 -3.26 115.31 119.26 1qk4 h LEU 162 Ca -0.00 -0.86 0.11 0.00 0.84 0.00 0.00 57.88 57.97 1qk4 h LEU 162 Cb 0.62 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1qk4 h LEU 162 CO 0.04 1.52 0.36 0.11 -0.34 0.00 0.00 178.44 180.14 1qk4 h LYS 163 N 0.04 0.23 0.00 1.25 1.57 -0.83 -1.46 116.57 117.37 1qk4 h LYS 163 Ca -0.17 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1qk4 h LYS 163 Cb 1.80 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 1qk4 h LYS 163 CO 0.21 0.15 -0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1qk4 h ALA 164 N 1.73 1.88 -0.01 3.86 0.00 -1.55 -1.11 119.26 124.07 1qk4 h ALA 164 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qk4 h ALA 164 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qk4 h ALA 164 CO -0.05 0.01 -0.05 1.33 0.00 0.00 0.00 179.25 180.49 1qk4 n VAL 165 N -4.38 0.00 -2.74 0.00 0.24 -0.55 -4.99 118.33 105.92 1qk4 n VAL 165 Ca -0.03 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 61.93 1qk4 n VAL 165 Cb 0.09 0.53 0.05 0.00 -1.47 0.00 0.00 33.84 33.04 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 1.21 -0.57 3.73 7.63 0.00 -0.42 -4.01 105.19 112.76 1qk4 n GLY 166 Ca 0.18 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.97 1.71 0.08 1.61 0.04 -1.26 -1.10 135.00 132.12 1qk4 s PRO 167 Ca 0.32 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1qk4 s PRO 167 Cb -0.04 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 1qk4 s PRO 167 CO 0.53 -2.08 1.39 -0.22 0.04 0.00 0.00 177.00 176.66 1qk4 h LYS 168 N -1.42 0.59 -3.26 4.56 3.64 -0.86 -3.42 116.57 116.40 1qk4 h LYS 168 Ca -0.43 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 58.54 1qk4 h LYS 168 Cb 1.25 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.91 1qk4 h LYS 168 CO 0.47 0.91 -0.23 -1.54 -2.27 0.00 0.00 179.45 176.79 1qk4 s SER 169 N -6.41 -0.15 -0.05 4.20 1.04 -1.12 -4.69 113.70 106.52 1qk4 s SER 169 Ca -0.13 -0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 1qk4 s SER 169 Cb 0.08 0.36 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1qk4 s SER 169 CO 0.80 -0.62 -0.02 -0.04 0.98 0.00 0.00 173.24 174.35 1qk4 s MET 170 N -2.50 0.63 0.17 4.02 -1.94 -1.26 -0.73 119.30 117.71 1qk4 s MET 170 Ca -0.05 0.02 0.02 0.00 -1.71 0.00 0.00 55.69 53.97 1qk4 s MET 170 Cb -0.01 -0.83 -0.05 0.00 2.01 0.00 0.00 34.83 35.96 1qk4 s MET 170 CO -0.03 -0.19 -0.01 1.03 -0.01 0.00 0.00 175.02 175.82 1qk4 s ARG 171 N 1.39 1.12 -0.06 2.03 0.52 0.50 -4.69 118.95 119.76 1qk4 s ARG 171 Ca -0.04 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.70 1qk4 s ARG 171 Cb -0.13 -0.33 -0.01 0.00 0.52 0.00 0.00 34.95 35.00 1qk4 s ARG 171 CO -0.03 -0.11 -0.24 0.42 0.02 0.00 0.00 175.30 175.37 1qk4 s ILE 172 N -3.61 1.99 -0.15 1.52 1.01 -1.26 -0.62 121.20 120.08 1qk4 s ILE 172 Ca 0.23 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1qk4 s ILE 172 Cb 0.06 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.85 1qk4 s ILE 172 CO 0.04 0.55 -0.20 0.00 0.00 0.00 0.00 174.94 175.33 1qk4 s ALA 173 N -0.10 2.34 0.00 9.38 0.00 0.93 -0.76 121.76 133.55 1qk4 s ALA 173 Ca -0.05 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1qk4 s ALA 173 Cb -0.14 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1qk4 s ALA 173 CO 0.04 -0.04 -0.06 -0.08 0.00 0.00 0.00 175.76 175.62 1qk4 s THR 174 N 0.82 0.45 0.14 0.00 -1.32 -0.24 -0.87 115.64 114.63 1qk4 s THR 174 Ca -0.06 -0.36 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 1qk4 s THR 174 Cb -0.15 -0.41 -0.01 0.00 -1.51 0.00 0.00 72.50 70.41 1qk4 s THR 174 CO -0.01 0.05 1.53 0.25 -2.21 0.00 0.00 174.62 174.22 1qk4 h LEU 175 N 5.78 0.94 -8.15 9.08 5.85 -1.20 -2.38 115.31 125.24 1qk4 h LEU 175 Ca -0.29 -0.40 -0.32 0.00 0.84 0.00 0.00 57.88 57.70 1qk4 h LEU 175 Cb 1.19 -0.26 -0.24 0.00 0.37 0.00 0.00 40.66 41.73 1qk4 h LEU 175 CO 0.49 1.13 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.28 1qk4 s VAL 176 N -4.65 0.65 -0.04 1.05 1.01 -1.03 -0.66 120.40 116.72 1qk4 s VAL 176 Ca -0.12 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1qk4 s VAL 176 Cb 0.11 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 1qk4 s VAL 176 CO 0.86 -0.19 -0.18 -1.83 0.00 0.00 0.00 175.10 173.76 1qk4 s GLU 177 N -1.17 1.88 0.19 2.72 -1.05 0.65 -1.63 118.70 120.29 1qk4 s GLU 177 Ca -0.05 -0.65 -0.13 0.00 -0.15 0.00 0.00 54.97 54.00 1qk4 s GLU 177 Cb -0.08 -1.63 -0.07 0.00 -0.44 0.00 0.00 34.13 31.91 1qk4 s GLU 177 CO 0.01 0.27 0.56 0.15 0.95 0.00 0.00 175.26 177.19 1qk4 s LYS 178 N -0.01 3.91 -0.55 -4.83 1.02 -0.53 -1.79 119.74 116.97 1qk4 s LYS 178 Ca -0.03 0.42 -0.21 0.00 0.02 0.00 0.00 55.97 56.17 1qk4 s LYS 178 Cb -0.12 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.46 1qk4 s LYS 178 CO 0.02 0.40 0.75 1.03 -0.92 0.00 0.00 175.35 176.64 1qk4 s ARG 179 N -2.33 3.16 -0.01 1.68 0.52 0.51 -4.88 118.95 117.59 1qk4 s ARG 179 Ca 0.42 -0.81 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1qk4 s ARG 179 Cb -0.13 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.21 1qk4 s ARG 179 CO 0.20 -1.41 0.11 -0.08 0.02 0.00 0.00 175.30 174.14 1qk4 s THR 180 N 3.13 0.06 -1.41 0.02 -1.32 -1.26 -3.32 115.64 111.53 1qk4 s THR 180 Ca 0.19 -0.47 0.25 0.00 -1.21 0.00 0.00 61.69 60.45 1qk4 s THR 180 Cb -0.18 -0.32 0.42 0.00 -1.51 0.00 0.00 72.50 70.91 1qk4 s THR 180 CO 0.12 -0.26 1.82 -0.90 -2.21 0.00 0.00 174.62 173.20 1qk4 n ASP 181 N 2.05 0.00 -0.27 8.08 5.75 -1.26 -2.46 116.55 128.44 1qk4 n ASP 181 Ca -0.19 -0.04 0.14 0.00 -0.01 0.00 0.00 54.79 54.69 1qk4 n ASP 181 Cb 0.57 -0.30 0.59 0.00 -1.03 0.00 0.00 41.12 40.95 1qk4 n ASP 181 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qk4 n ARG 182 N -1.30 1.15 -2.46 0.11 1.74 -1.26 -4.94 116.66 109.71 1qk4 n ARG 182 Ca 0.11 -0.53 -0.40 0.00 -0.77 0.00 0.00 57.85 56.26 1qk4 n ARG 182 Cb 0.20 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1qk4 n ARG 182 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1qk4 s SER 183 N -2.22 7.15 0.00 0.55 0.15 -1.03 -4.66 113.70 113.64 1qk4 s SER 183 Ca 0.35 2.26 0.24 0.00 0.70 0.00 0.00 55.95 59.50 1qk4 s SER 183 Cb 0.21 -2.62 1.21 0.00 -1.71 0.00 0.00 66.02 63.10 1qk4 s SER 183 CO 0.41 -0.23 1.81 -0.46 1.20 0.00 0.00 173.24 175.97 1qk4 n ASN 184 N 0.96 0.66 0.00 5.45 6.94 -0.23 -4.89 115.26 124.15 1qk4 n ASN 184 Ca -0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 1qk4 n ASN 184 Cb 0.45 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1qk4 n ASN 184 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1qk4 n SER 185 N -0.41 -0.27 -4.73 0.53 3.41 -1.26 -5.03 113.62 105.86 1qk4 n SER 185 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.37 1qk4 n SER 185 Cb 0.19 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1qk4 n SER 185 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1qk4 s LEU 186 N 0.00 4.40 0.15 1.04 0.20 -1.26 -4.86 118.68 118.35 1qk4 s LEU 186 Ca 0.00 2.48 0.05 0.00 0.69 0.00 0.00 54.13 57.35 1qk4 s LEU 186 Cb 0.00 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.11 1qk4 s LEU 186 CO 0.00 -0.61 -0.12 -1.59 -0.29 0.00 0.00 176.35 173.74 1qk4 s LYS 187 N 0.08 1.09 0.59 1.98 -2.85 0.41 -4.83 119.74 116.22 1qk4 s LYS 187 Ca 0.59 -1.43 -0.04 0.00 -1.00 0.00 0.00 55.97 54.10 1qk4 s LYS 187 Cb -0.38 -0.76 0.02 0.00 -2.06 0.00 0.00 37.83 34.65 1qk4 s LYS 187 CO 0.38 0.11 0.87 0.20 0.10 0.00 0.00 175.35 177.01 1qk4 s GLY 188 N -3.04 1.65 -0.06 0.59 0.00 -1.26 -3.48 107.32 101.72 1qk4 s GLY 188 Ca 0.16 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 1qk4 s GLY 188 CO 0.02 -0.60 0.61 -0.55 0.00 0.00 0.00 173.10 172.59 1qk4 h ASP 189 N -0.15 0.39 -3.45 1.64 3.32 -1.30 -3.39 116.42 113.48 1qk4 h ASP 189 Ca -0.45 -0.69 -0.62 0.00 0.02 0.00 0.00 57.03 55.29 1qk4 h ASP 189 Cb 1.27 -0.13 -0.40 0.00 0.22 0.00 0.00 39.33 40.30 1qk4 h ASP 189 CO 0.59 1.60 -0.74 -0.36 -1.72 0.00 0.00 179.24 178.61 1qk4 s PHE 190 N -2.59 2.73 -0.12 4.55 0.40 -0.46 -4.39 117.98 118.10 1qk4 s PHE 190 Ca -0.15 -2.33 0.02 0.00 -0.60 0.00 0.00 56.93 53.88 1qk4 s PHE 190 Cb 0.07 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 1qk4 s PHE 190 CO 0.82 -0.90 -0.20 0.08 0.70 0.00 0.00 175.22 175.72 1qk4 s VAL 191 N 1.26 2.41 -0.01 -0.44 1.01 -1.26 -1.08 120.40 122.29 1qk4 s VAL 191 Ca 0.09 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 1qk4 s VAL 191 Cb -0.18 -1.96 -0.11 0.00 0.00 0.00 0.00 36.38 34.13 1qk4 s VAL 191 CO -0.15 0.54 0.87 1.23 0.00 0.00 0.00 175.10 177.59 1qk4 h GLY 192 N 6.83 -0.72 -5.04 4.51 0.00 -0.78 -3.38 103.07 104.50 1qk4 h GLY 192 Ca -0.24 0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1qk4 h GLY 192 CO 0.51 -0.26 -0.70 -1.36 0.00 0.00 0.00 176.54 174.73 1qk4 s PHE 193 N -3.86 0.25 -0.22 5.60 0.40 0.16 -1.67 117.98 118.65 1qk4 s PHE 193 Ca -0.10 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.70 1qk4 s PHE 193 Cb 0.01 -0.18 -0.03 0.00 0.51 0.00 0.00 43.02 43.34 1qk4 s PHE 193 CO 0.30 -0.17 0.03 0.45 0.70 0.00 0.00 175.22 176.53 1qk4 s SER 194 N -1.30 4.96 0.28 1.36 0.15 -0.29 -0.25 113.70 118.61 1qk4 s SER 194 Ca -0.14 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.35 1qk4 s SER 194 Cb -0.09 -1.86 -0.06 0.00 -1.71 0.00 0.00 66.02 62.30 1qk4 s SER 194 CO -0.01 0.03 0.02 0.27 1.20 0.00 0.00 173.24 174.76 1qk4 s ILE 195 N 1.21 1.16 1.05 6.45 -4.36 -0.74 -1.49 121.20 124.49 1qk4 s ILE 195 Ca 0.04 -2.03 -0.16 0.00 -0.26 0.00 0.00 60.65 58.24 1qk4 s ILE 195 Cb -0.14 -2.59 0.22 0.00 1.25 0.00 0.00 42.46 41.19 1qk4 s ILE 195 CO 0.02 -0.15 1.15 -1.83 0.24 0.00 0.00 174.94 174.37 1qk4 s GLU 196 N -3.87 -0.01 -1.27 0.37 -1.05 -1.26 -0.36 118.70 111.25 1qk4 s GLU 196 Ca 0.33 0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 55.04 1qk4 s GLU 196 Cb 0.07 -1.73 0.11 0.00 -0.44 0.00 0.00 34.13 32.14 1qk4 s GLU 196 CO 0.13 -2.93 1.63 0.34 0.95 0.00 0.00 175.26 175.38 1qk4 s ASP 197 N -4.03 6.92 0.24 0.83 3.68 -1.21 -4.48 116.67 118.61 1qk4 s ASP 197 Ca 0.69 -2.63 0.07 0.00 2.13 0.00 0.00 52.55 52.80 1qk4 s ASP 197 Cb -0.12 -2.52 -0.05 0.00 -1.45 0.00 0.00 42.92 38.79 1qk4 s ASP 197 CO 0.55 -1.02 -0.10 0.68 0.13 0.00 0.00 175.17 175.41 1qk4 s VAL 198 N 3.31 1.67 -0.17 1.11 -7.23 -1.26 -5.08 120.40 112.75 1qk4 s VAL 198 Ca 0.50 -2.17 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1qk4 s VAL 198 Cb 0.02 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1qk4 s VAL 198 CO 0.05 -0.46 0.54 0.86 -0.31 0.00 0.00 175.10 175.78 1qk4 s TRP 199 N -3.01 3.42 0.22 2.82 -0.11 -1.26 -5.06 118.94 115.96 1qk4 s TRP 199 Ca 0.26 0.86 0.06 0.00 1.22 0.00 0.00 56.10 58.50 1qk4 s TRP 199 Cb 0.01 -2.67 -0.04 0.00 -1.50 0.00 0.00 33.47 29.28 1qk4 s TRP 199 CO 0.09 -0.03 0.17 0.96 -4.62 0.00 0.00 176.95 173.52 1qk4 s ILE 200 N 1.36 4.42 0.12 5.86 -4.36 -1.26 -3.28 121.20 124.05 1qk4 s ILE 200 Ca 0.26 -1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 59.34 1qk4 s ILE 200 Cb -0.16 -3.34 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1qk4 s ILE 200 CO 0.10 -0.27 0.03 0.68 0.24 0.00 0.00 174.94 175.73 1qk4 s VAL 201 N -2.00 0.21 0.00 8.37 -7.23 0.22 -4.37 120.40 115.59 1qk4 s VAL 201 Ca 0.32 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1qk4 s VAL 201 Cb -0.09 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 34.93 1qk4 s VAL 201 CO 0.24 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1qk4 n GLY 202 N -0.06 0.51 3.76 2.32 0.00 0.35 0.13 105.19 112.19 1qk4 n GLY 202 Ca -0.08 -1.66 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.64 3.38 0.40 0.00 1.51 -0.44 -4.70 117.35 115.86 1qk4 s TYR 205 Ca 0.00 1.43 0.05 0.00 -1.01 0.00 0.00 57.07 57.54 1qk4 s TYR 205 Cb 0.00 -3.47 -0.06 0.00 -0.11 0.00 0.00 41.96 38.32 1qk4 s TYR 205 CO 0.00 -1.30 0.03 0.16 -1.11 0.00 0.00 175.55 173.33 1qk4 s ASP 206 N -0.07 3.51 -0.30 2.29 -4.77 -1.26 -0.50 116.67 115.58 1qk4 s ASP 206 Ca 0.52 -1.43 -0.02 0.00 -3.30 0.00 0.00 52.55 48.32 1qk4 s ASP 206 Cb -0.34 -0.15 0.10 0.00 -1.09 0.00 0.00 42.92 41.44 1qk4 s ASP 206 CO 0.39 -0.57 0.10 0.12 0.70 0.00 0.00 175.17 175.92 1qk4 s PHE 207 N -2.90 1.24 -1.36 2.11 5.36 -0.74 -4.78 117.98 116.92 1qk4 s PHE 207 Ca 0.31 -1.41 -0.06 0.00 -0.96 0.00 0.00 56.93 54.80 1qk4 s PHE 207 Cb 0.08 -1.42 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 1qk4 s PHE 207 CO 0.15 -0.84 0.95 0.09 -1.46 0.00 0.00 175.22 174.11 1qk4 n ASN 208 N 4.98 -3.53 0.00 6.13 4.13 -1.26 -1.21 115.26 124.50 1qk4 n ASN 208 Ca -0.04 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.52 1qk4 n ASN 208 Cb 0.42 -4.46 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 1qk4 n ASN 208 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1qk4 n GLU 209 N -4.53 -0.11 -3.96 3.52 -0.58 -1.26 -4.99 120.64 108.73 1qk4 n GLU 209 Ca -0.14 0.03 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 1qk4 n GLU 209 Cb 0.61 -3.18 -0.02 0.00 -0.57 0.00 0.00 31.44 28.27 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 -0.35 3.42 0.00 3.49 1.75 -0.35 -4.54 119.30 122.73 1qk4 s MET 210 Ca 0.00 -0.77 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 1qk4 s MET 210 Cb 0.00 -2.88 0.00 0.00 2.84 0.00 0.00 34.83 34.79 1qk4 s MET 210 CO 0.00 0.42 0.00 1.19 -0.65 0.00 0.00 175.02 175.98 1qk4 n PHE 211 N -1.41 0.00 -0.17 4.11 3.72 -1.26 -1.80 117.46 120.65 1qk4 n PHE 211 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1qk4 n PHE 211 Cb 0.57 -0.57 0.44 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.68 0.54 0.00 -1.08 3.08 -1.80 -2.12 114.38 114.69 1qk4 h ARG 212 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qk4 h ARG 212 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1qk4 h ARG 212 CO 0.00 0.36 0.00 -0.40 -1.07 0.00 0.00 179.97 178.86 1qk4 n ASP 213 N -4.49 0.00 -4.73 7.04 5.75 -1.26 -1.63 116.55 117.22 1qk4 n ASP 213 Ca 0.13 -0.26 -0.42 0.00 -0.01 0.00 0.00 54.79 54.23 1qk4 n ASP 213 Cb 0.41 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 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 -2.49 3.19 -0.98 2.11 5.36 -0.80 -4.82 117.98 119.56 1qk4 s PHE 214 Ca 0.31 1.06 0.18 0.00 -0.96 0.00 0.00 56.93 57.51 1qk4 s PHE 214 Cb 0.20 -3.69 0.75 0.00 -0.34 0.00 0.00 43.02 39.93 1qk4 s PHE 214 CO 0.44 -2.31 1.56 -0.25 -1.46 0.00 0.00 175.22 173.21 1qk4 n ASP 215 N 3.08 0.04 -4.46 6.13 10.43 -1.26 -0.10 116.55 130.39 1qk4 n ASP 215 Ca 0.08 0.51 -0.23 0.00 2.57 0.00 0.00 54.79 57.72 1qk4 n ASP 215 Cb 0.42 -0.52 -0.10 0.00 1.84 0.00 0.00 41.12 42.76 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 -3.01 2.18 -0.21 1.24 3.76 -1.26 -3.48 115.29 114.50 1qk4 s HIS 216 Ca 0.08 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.32 1qk4 s HIS 216 Cb 0.11 -1.09 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 1qk4 s HIS 216 CO 0.32 0.55 0.59 0.08 -0.85 0.00 0.00 174.74 175.43 1qk4 s VAL 217 N -2.69 5.04 0.25 -0.90 1.01 0.36 -3.57 120.40 119.90 1qk4 s VAL 217 Ca 0.29 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1qk4 s VAL 217 Cb -0.01 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1qk4 s VAL 217 CO 0.14 0.11 0.08 0.00 0.00 0.00 0.00 175.10 175.43 1qk4 s ALA 218 N 1.98 1.73 -0.01 5.51 0.00 0.12 0.04 121.76 131.12 1qk4 s ALA 218 Ca 0.26 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 1qk4 s ALA 218 Cb -0.16 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 1qk4 s ALA 218 CO 0.10 -0.43 0.33 0.14 0.00 0.00 0.00 175.76 175.89 1qk4 s VAL 219 N -3.71 5.18 0.00 0.00 -7.23 -0.71 -0.61 120.40 113.32 1qk4 s VAL 219 Ca 0.36 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1qk4 s VAL 219 Cb 0.08 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1qk4 s VAL 219 CO 0.13 0.51 0.00 0.18 -0.31 0.00 0.00 175.10 175.60 1qk4 n LEU 220 N 1.59 0.00 0.00 1.32 4.32 -1.21 -4.46 117.00 118.56 1qk4 n LEU 220 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1qk4 n LEU 220 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1qk4 n LEU 220 CO 0.37 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.00 1qk4 n SER 221 N 0.00 0.00 -0.22 -1.43 3.41 -1.26 -4.48 113.62 109.63 1qk4 n SER 221 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1qk4 n SER 221 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 1qk4 n SER 221 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qk4 h ASP 222 N 0.00 0.70 0.08 4.04 5.19 -1.94 -1.56 116.42 122.92 1qk4 h ASP 222 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1qk4 h ASP 222 Cb 0.00 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1qk4 h ASP 222 CO 0.00 0.43 -0.18 0.00 -3.12 0.00 0.00 179.24 176.37 1qk4 h ALA 223 N 1.59 -0.76 -0.93 3.45 0.00 -1.92 -3.09 119.26 117.60 1qk4 h ALA 223 Ca 0.36 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.33 1qk4 h ALA 223 Cb 0.37 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1qk4 h ALA 223 CO -0.13 -0.79 0.59 0.00 0.00 0.00 0.00 179.25 178.92 1qk4 h ALA 224 N -1.29 1.62 -0.90 0.00 0.00 -1.63 -1.62 119.26 115.45 1qk4 h ALA 224 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1qk4 h ALA 224 Cb 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1qk4 h ALA 224 CO -0.07 0.17 0.58 0.00 0.00 0.00 0.00 179.25 179.92 1qk4 h ARG 225 N 0.90 1.05 0.72 0.00 3.08 -1.24 -1.66 114.38 117.24 1qk4 h ARG 225 Ca 0.44 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.39 1qk4 h ARG 225 Cb 0.46 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1qk4 h ARG 225 CO -0.20 0.69 -0.35 0.87 -1.07 0.00 0.00 179.97 179.91 1qk4 h LYS 226 N 1.08 -0.93 -0.38 0.04 1.79 -1.26 0.12 116.57 117.03 1qk4 h LYS 226 Ca 0.38 0.06 0.11 0.00 -2.18 0.00 0.00 60.65 59.02 1qk4 h LYS 226 Cb 0.10 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1qk4 h LYS 226 CO -0.15 -0.62 0.28 -0.22 -1.08 0.00 0.00 179.45 177.66 1qk4 h LYS 227 N -1.14 0.00 -0.07 3.15 1.63 -1.44 -3.06 116.57 115.64 1qk4 h LYS 227 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1qk4 h LYS 227 Cb 0.74 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1qk4 h LYS 227 CO 0.16 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 177.35 1qk4 n PHE 228 N -4.37 0.08 0.61 1.91 3.01 -0.63 -5.11 117.46 112.96 1qk4 n PHE 228 Ca 0.06 -0.12 0.05 0.00 1.01 0.00 0.00 57.45 58.45 1qk4 n PHE 228 Cb 0.47 -0.01 0.29 0.00 -0.01 0.00 0.00 39.48 40.22 1qk4 n PHE 228 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16