#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 0.89 -2.66 -5.12 0.00 -1.80 -3.46 119.26 107.12 1qk4 h ALA 2 Ca 0.00 -0.56 -0.50 0.00 0.00 0.00 0.00 54.91 53.85 1qk4 h ALA 2 Cb 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 17.76 1qk4 h ALA 2 CO 0.00 0.75 0.47 -1.12 0.00 0.00 0.00 179.25 179.35 1qk4 s SER 3 N -6.88 6.11 -0.28 0.00 0.01 -1.26 -4.89 113.70 106.51 1qk4 s SER 3 Ca -0.03 2.26 -0.26 0.00 1.31 0.00 0.00 55.95 59.23 1qk4 s SER 3 Cb 0.12 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.91 1qk4 s SER 3 CO 0.78 -0.96 1.22 -0.75 0.41 0.00 0.00 173.24 173.95 1qk4 s LYS 4 N -2.82 0.29 0.27 12.44 2.20 -1.26 -5.14 119.74 125.73 1qk4 s LYS 4 Ca 0.65 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 1qk4 s LYS 4 Cb -0.27 0.14 -0.11 0.00 -1.51 0.00 0.00 37.83 36.08 1qk4 s LYS 4 CO 0.33 -0.05 1.58 -2.14 -0.36 0.00 0.00 175.35 174.71 1qk4 s PRO 5 N -0.11 4.15 0.46 4.03 0.02 -1.26 -4.71 135.00 137.59 1qk4 s PRO 5 Ca 0.05 2.52 0.13 0.00 0.02 0.00 0.00 61.00 63.72 1qk4 s PRO 5 Cb -0.04 -3.05 1.08 0.00 0.02 0.00 0.00 34.50 32.50 1qk4 s PRO 5 CO -0.09 -0.61 2.06 0.82 -0.33 0.00 0.00 177.00 178.85 1qk4 h ILE 6 N 3.50 0.99 0.00 2.83 1.08 -1.94 -1.58 117.51 122.38 1qk4 h ILE 6 Ca -0.46 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1qk4 h ILE 6 Cb 1.22 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1qk4 h ILE 6 CO 0.82 0.05 0.00 -1.84 -0.69 0.00 0.00 178.15 176.49 1qk4 n GLU 7 N -4.48 0.40 0.00 2.37 0.00 -1.26 -1.25 120.64 116.41 1qk4 n GLU 7 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.40 1qk4 n GLU 7 Cb 0.20 -1.50 0.66 0.00 0.00 0.00 0.00 31.44 30.80 1qk4 n GLU 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qk4 n ASP 8 N -1.24 0.01 -4.69 -1.84 9.92 -0.59 -4.85 116.55 113.26 1qk4 n ASP 8 Ca 0.12 0.27 -0.44 0.00 -0.53 0.00 0.00 54.79 54.21 1qk4 n ASP 8 Cb 0.17 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.19 1qk4 n ASP 8 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qk4 n TYR 9 N -1.43 2.50 -0.98 1.24 9.36 -0.38 -1.40 117.16 126.07 1qk4 n TYR 9 Ca 0.09 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1qk4 n TYR 9 Cb 0.31 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.43 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 3.40 0.92 0.05 2.98 0.00 -1.26 -4.87 105.19 106.40 1qk4 n GLY 10 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.14 0.65 -2.53 1.61 4.76 -0.49 -1.27 118.16 118.75 1qk4 n LYS 11 Ca 0.00 -0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 1qk4 n LYS 11 Cb 0.00 -1.62 0.01 0.00 -1.84 0.00 0.00 35.03 31.58 1qk4 n LYS 11 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qk4 n GLY 12 N 1.31 -0.19 3.71 0.72 0.00 -1.24 -4.74 105.19 104.76 1qk4 n GLY 12 Ca -0.07 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.02 4.27 -0.69 1.61 2.20 -1.26 -2.41 119.74 118.43 1qk4 s LYS 13 Ca 0.10 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1qk4 s LYS 13 Cb -0.05 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1qk4 s LYS 13 CO 0.13 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1qk4 n GLY 14 N 3.66 0.88 3.88 5.54 0.00 -1.26 -5.01 105.19 112.88 1qk4 n GLY 14 Ca 0.13 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.40 2.42 -0.17 1.61 1.70 -1.01 -5.01 118.95 116.08 1qk4 s ARG 15 Ca 0.00 0.35 -0.22 0.00 -0.47 0.00 0.00 55.73 55.40 1qk4 s ARG 15 Cb 0.00 -1.98 -0.03 0.00 -0.57 0.00 0.00 34.95 32.37 1qk4 s ARG 15 CO 0.00 -1.32 0.66 0.42 -1.08 0.00 0.00 175.30 173.98 1qk4 s ILE 16 N -3.41 5.01 0.50 4.99 1.01 -1.26 -5.01 121.20 123.02 1qk4 s ILE 16 Ca 0.60 1.28 -0.23 0.00 0.00 0.00 0.00 60.65 62.30 1qk4 s ILE 16 Cb -0.11 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 1qk4 s ILE 16 CO 0.51 0.12 1.27 -1.61 0.00 0.00 0.00 174.94 175.24 1qk4 s GLU 17 N 1.75 3.48 0.99 2.79 0.41 -1.26 -4.67 118.70 122.19 1qk4 s GLU 17 Ca 0.31 2.04 -0.13 0.00 -0.41 0.00 0.00 54.97 56.78 1qk4 s GLU 17 Cb -0.16 -2.37 0.18 0.00 -1.78 0.00 0.00 34.13 30.01 1qk4 s GLU 17 CO 0.12 -0.86 1.11 -1.25 -0.49 0.00 0.00 175.26 173.89 1qk4 s PRO 18 N -2.76 0.48 0.09 0.39 0.04 -1.26 -4.96 135.00 127.02 1qk4 s PRO 18 Ca 0.67 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 1qk4 s PRO 18 Cb -0.35 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1qk4 s PRO 18 CO 0.43 -2.67 1.42 1.41 0.04 0.00 0.00 177.00 177.63 1qk4 s MET 19 N -5.10 4.30 -0.34 4.56 -2.45 -0.79 -4.73 119.30 114.74 1qk4 s MET 19 Ca 0.65 2.08 -0.20 0.00 -1.25 0.00 0.00 55.69 56.97 1qk4 s MET 19 Cb -0.17 -3.35 -0.00 0.00 1.25 0.00 0.00 34.83 32.56 1qk4 s MET 19 CO 0.56 -0.50 0.62 -0.47 1.05 0.00 0.00 175.02 176.29 1qk4 s TYR 20 N 1.54 3.17 -0.45 4.11 5.04 -1.26 -0.62 117.35 128.87 1qk4 s TYR 20 Ca 0.65 0.39 -0.16 0.00 -2.44 0.00 0.00 57.07 55.52 1qk4 s TYR 20 Cb -0.36 -3.09 0.06 0.00 0.35 0.00 0.00 41.96 38.92 1qk4 s TYR 20 CO 0.30 -0.58 0.38 0.42 -1.34 0.00 0.00 175.55 174.72 1qk4 s ILE 21 N 2.66 5.23 0.81 3.14 -1.09 -0.60 -4.96 121.20 126.39 1qk4 s ILE 21 Ca 0.24 -0.91 -0.14 0.00 -2.23 0.00 0.00 60.65 57.62 1qk4 s ILE 21 Cb -0.15 -4.07 0.06 0.00 -1.58 0.00 0.00 42.46 36.72 1qk4 s ILE 21 CO 0.14 -0.50 0.99 -2.65 -1.23 0.00 0.00 174.94 171.68 1qk4 n PRO 22 N 5.24 0.13 -1.27 2.79 -0.02 -1.26 -4.38 135.00 136.22 1qk4 n PRO 22 Ca -0.12 0.11 -0.35 0.00 -2.02 0.00 0.00 63.50 61.12 1qk4 n PRO 22 Cb 0.45 -2.26 0.10 0.00 -0.02 0.00 0.00 33.50 31.76 1qk4 n PRO 22 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1qk4 n ASP 23 N -2.54 0.35 -4.06 2.55 8.00 -1.26 -3.20 116.55 116.39 1qk4 n ASP 23 Ca 0.12 0.63 -0.33 0.00 0.71 0.00 0.00 54.79 55.92 1qk4 n ASP 23 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1qk4 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qk4 n ASN 24 N -1.90 -4.13 -3.97 -2.24 5.15 -1.26 -4.96 115.26 101.96 1qk4 n ASN 24 Ca 0.13 -0.89 -0.30 0.00 -0.60 0.00 0.00 54.58 52.91 1qk4 n ASN 24 Cb 0.50 -3.35 -0.16 0.00 -0.53 0.00 0.00 39.78 36.24 1qk4 n ASN 24 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qk4 s THR 25 N -3.29 1.58 0.14 -0.44 2.01 -1.19 -5.11 115.64 109.34 1qk4 s THR 25 Ca 0.71 -1.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 1qk4 s THR 25 Cb -0.37 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 1qk4 s THR 25 CO 0.88 0.03 0.21 0.72 -0.69 0.00 0.00 174.62 175.76 1qk4 s PHE 26 N 1.40 0.48 0.17 4.92 -0.12 -1.26 -4.84 117.98 118.73 1qk4 s PHE 26 Ca -0.04 -0.86 0.02 0.00 -0.05 0.00 0.00 56.93 56.00 1qk4 s PHE 26 Cb -0.18 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.01 1qk4 s PHE 26 CO -0.07 -0.64 0.31 0.71 -0.05 0.00 0.00 175.22 175.48 1qk4 s TYR 27 N -3.97 3.48 -0.10 3.49 2.02 0.37 -4.92 117.35 117.72 1qk4 s TYR 27 Ca 0.17 0.15 -0.25 0.00 -0.37 0.00 0.00 57.07 56.77 1qk4 s TYR 27 Cb 0.05 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1qk4 s TYR 27 CO -0.01 0.48 0.79 1.21 -1.57 0.00 0.00 175.55 176.45 1qk4 s ASN 28 N -3.29 7.02 0.54 2.29 3.84 -1.26 -0.91 114.94 123.17 1qk4 s ASN 28 Ca 0.35 1.24 0.25 0.00 0.21 0.00 0.00 52.86 54.91 1qk4 s ASN 28 Cb -0.11 -2.45 1.40 0.00 -0.55 0.00 0.00 41.25 39.55 1qk4 s ASN 28 CO 0.29 -0.25 2.02 0.00 -2.79 0.00 0.00 177.10 176.36 1qk4 h ALA 29 N 7.02 2.39 0.00 1.71 0.00 -1.71 -0.94 119.26 127.73 1qk4 h ALA 29 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1qk4 h ALA 29 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1qk4 h ALA 29 CO 0.79 -0.56 0.00 -0.25 0.00 0.00 0.00 179.25 179.22 1qk4 n ASP 30 N -4.33 0.13 -0.25 0.00 8.00 -1.26 -1.34 116.55 117.49 1qk4 n ASP 30 Ca 0.08 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.25 1qk4 n ASP 30 Cb 0.54 -0.56 0.54 0.00 -0.02 0.00 0.00 41.12 41.61 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 -1.65 0.89 -4.50 -2.24 10.43 -0.36 -4.88 116.55 114.24 1qk4 n ASP 31 Ca 0.02 -0.95 -0.24 0.00 2.57 0.00 0.00 54.79 56.18 1qk4 n ASP 31 Cb 0.13 0.02 -0.10 0.00 1.84 0.00 0.00 41.12 43.01 1qk4 n ASP 31 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1qk4 s PHE 32 N -2.32 2.27 -0.39 1.24 0.08 -0.45 -5.09 117.98 113.31 1qk4 s PHE 32 Ca 0.31 -0.51 -0.27 0.00 0.12 0.00 0.00 56.93 56.58 1qk4 s PHE 32 Cb 0.20 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1qk4 s PHE 32 CO 0.44 0.54 1.01 -1.17 -0.10 0.00 0.00 175.22 175.94 1qk4 s LEU 33 N -3.55 3.90 -0.16 -0.37 2.96 -1.26 -5.00 118.68 115.19 1qk4 s LEU 33 Ca 0.31 0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1qk4 s LEU 33 Cb 0.01 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 1qk4 s LEU 33 CO 0.15 -0.97 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.42 1qk4 s VAL 34 N 3.77 3.24 0.68 1.68 1.01 -1.26 -5.01 120.40 124.51 1qk4 s VAL 34 Ca 0.42 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 1qk4 s VAL 34 Cb -0.11 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1qk4 s VAL 34 CO 0.22 0.49 1.12 -2.16 0.00 0.00 0.00 175.10 174.76 1qk4 s PRO 35 N 0.74 2.63 0.39 2.72 0.04 -1.26 -4.66 135.00 135.60 1qk4 s PRO 35 Ca -0.04 1.40 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1qk4 s PRO 35 Cb -0.15 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.33 1qk4 s PRO 35 CO 0.02 -1.38 1.95 -1.35 0.04 0.00 0.00 177.00 176.27 1qk4 h PRO 36 N -0.18 0.59 0.00 0.56 0.11 -1.99 -0.48 132.00 130.61 1qk4 h PRO 36 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qk4 h PRO 36 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qk4 h PRO 36 CO 0.53 0.39 0.00 1.12 -0.21 0.00 0.00 178.00 179.83 1qk4 h HIS 37 N 0.61 0.00 0.00 0.65 2.07 -2.06 -2.94 115.15 113.48 1qk4 h HIS 37 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 1qk4 h HIS 37 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1qk4 h HIS 37 CO -0.00 0.00 -1.47 0.00 -3.07 0.00 0.00 177.93 173.38 1qk4 h LYS 39 N 0.00 0.03 0.00 0.00 1.79 -0.97 0.14 116.57 117.56 1qk4 h LYS 39 Ca 0.00 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1qk4 h LYS 39 Cb 0.65 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1qk4 h LYS 39 CO 0.00 0.02 -0.03 -1.35 -1.08 0.00 0.00 179.45 177.01 1qk4 h PRO 40 N 0.03 0.00 -0.01 3.15 0.11 -1.85 -3.31 132.00 130.12 1qk4 h PRO 40 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1qk4 h PRO 40 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1qk4 h PRO 40 CO -0.51 0.03 -0.28 0.66 -0.21 0.00 0.00 178.00 177.69 1qk4 n TYR 41 N -3.67 0.00 -4.08 0.65 4.02 0.45 -4.89 117.16 109.65 1qk4 n TYR 41 Ca -0.03 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.51 1qk4 n TYR 41 Cb 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.56 3.90 0.00 -0.72 -1.09 -1.08 -4.27 121.20 116.38 1qk4 s ILE 42 Ca 0.09 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1qk4 s ILE 42 Cb 0.09 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1qk4 s ILE 42 CO 0.31 0.43 0.00 0.47 -1.23 0.00 0.00 174.94 174.92 1qk4 n ASP 43 N 4.25 3.22 -4.12 3.58 8.00 -1.26 -4.78 116.55 125.43 1qk4 n ASP 43 Ca -0.17 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.01 1qk4 n ASP 43 Cb 0.52 0.09 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 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 -1.76 2.77 -0.36 -1.24 1.02 -1.26 -2.04 119.74 116.88 1qk4 s LYS 44 Ca 0.00 -0.76 -0.14 0.00 0.02 0.00 0.00 55.97 55.09 1qk4 s LYS 44 Cb 0.00 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1qk4 s LYS 44 CO 0.00 -0.07 0.29 0.42 -0.92 0.00 0.00 175.35 175.07 1qk4 s ILE 45 N 0.98 5.24 -0.09 2.17 1.01 -0.09 -0.98 121.20 129.45 1qk4 s ILE 45 Ca -0.04 -0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.12 1qk4 s ILE 45 Cb -0.15 -3.80 -0.21 0.00 0.01 0.00 0.00 42.46 38.31 1qk4 s ILE 45 CO -0.04 -0.10 0.91 0.25 0.00 0.00 0.00 174.94 175.95 1qk4 h LEU 46 N 8.61 -0.03 -7.34 2.97 5.85 -0.40 0.11 115.31 125.07 1qk4 h LEU 46 Ca -0.30 -0.69 -0.54 0.00 0.84 0.00 0.00 57.88 57.20 1qk4 h LEU 46 Cb 1.15 0.01 -0.40 0.00 0.37 0.00 0.00 40.66 41.79 1qk4 h LEU 46 CO 0.67 0.71 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.96 1qk4 s LEU 47 N -8.68 1.49 0.53 2.25 1.43 -0.69 -4.76 118.68 110.25 1qk4 s LEU 47 Ca -0.16 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 51.82 1qk4 s LEU 47 Cb -0.01 -0.72 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1qk4 s LEU 47 CO 0.62 -0.29 1.04 -2.65 0.23 0.00 0.00 176.35 175.29 1qk4 n PRO 48 N 4.97 1.19 0.19 1.29 -0.02 -1.26 -0.80 135.00 140.56 1qk4 n PRO 48 Ca -0.09 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1qk4 n PRO 48 Cb 0.46 -2.19 0.69 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.00 0.00 1.72 -1.23 0.00 -1.91 -0.43 103.07 102.22 1qk4 h GLY 49 Ca -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.69 1qk4 h GLY 49 CO 0.54 0.00 -0.65 -1.33 0.00 0.00 0.00 176.54 175.10 1qk4 h GLY 50 N 0.00 0.31 1.03 4.60 0.00 -1.88 -1.16 103.07 105.97 1qk4 h GLY 50 Ca 0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1qk4 h GLY 50 CO -0.00 0.37 -0.29 -2.00 0.00 0.00 0.00 176.54 174.61 1qk4 h LEU 51 N 0.20 0.85 -0.25 3.11 5.85 -1.46 0.13 115.31 123.75 1qk4 h LEU 51 Ca -0.01 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1qk4 h LEU 51 Cb 1.18 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1qk4 h LEU 51 CO 0.10 1.13 -0.18 0.58 -0.34 0.00 0.00 178.44 179.73 1qk4 h VAL 52 N 0.58 0.50 -0.45 1.05 2.07 -1.05 -0.23 116.25 118.73 1qk4 h VAL 52 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1qk4 h VAL 52 Cb 0.87 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1qk4 h VAL 52 CO 0.08 0.00 0.28 0.11 0.02 0.00 0.00 177.57 178.06 1qk4 h LYS 53 N -0.17 0.60 -1.00 1.57 1.57 -0.91 -0.65 116.57 117.59 1qk4 h LYS 53 Ca 0.14 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1qk4 h LYS 53 Cb 0.38 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1qk4 h LYS 53 CO -0.35 0.43 0.65 -0.44 -0.57 0.00 0.00 179.45 179.17 1qk4 h ASP 54 N 0.60 1.09 -0.12 0.86 3.32 -0.63 -1.38 116.42 120.16 1qk4 h ASP 54 Ca 0.16 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 1qk4 h ASP 54 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1qk4 h ASP 54 CO -0.03 0.75 -0.50 -0.09 -1.72 0.00 0.00 179.24 177.65 1qk4 h ARG 55 N 1.27 0.69 -0.27 3.56 9.65 -0.42 -2.95 114.38 125.90 1qk4 h ARG 55 Ca 0.40 -0.40 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1qk4 h ARG 55 Cb -0.00 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1qk4 h ARG 55 CO -0.12 1.02 -0.09 0.28 2.80 0.00 0.00 179.97 183.86 1qk4 h VAL 56 N 0.54 1.21 -0.41 0.20 2.07 -0.81 -1.02 116.25 118.03 1qk4 h VAL 56 Ca 0.02 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1qk4 h VAL 56 Cb 1.05 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1qk4 h VAL 56 CO 0.10 0.30 0.23 -0.08 0.02 0.00 0.00 177.57 178.14 1qk4 h GLU 57 N 0.42 0.46 -0.43 1.57 4.81 -1.10 0.15 114.58 120.46 1qk4 h GLU 57 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1qk4 h GLU 57 Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1qk4 h GLU 57 CO 0.02 0.30 0.23 -0.22 -0.73 0.00 0.00 179.01 178.61 1qk4 h LYS 58 N 0.47 0.61 -0.84 1.92 1.63 -1.15 -1.34 116.57 117.87 1qk4 h LYS 58 Ca 0.16 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1qk4 h LYS 58 Cb 0.02 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 1qk4 h LYS 58 CO -0.09 0.50 0.52 -0.07 -3.45 0.00 0.00 179.45 176.86 1qk4 h LEU 59 N 0.56 0.99 -0.92 5.20 3.38 -0.74 0.06 115.31 123.83 1qk4 h LEU 59 Ca 0.15 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1qk4 h LEU 59 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1qk4 h LEU 59 CO -0.02 0.75 0.61 0.00 0.09 0.00 0.00 178.44 179.87 1qk4 h ALA 60 N 1.28 1.17 -0.42 1.53 0.00 -0.50 0.24 119.26 122.56 1qk4 h ALA 60 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1qk4 h ALA 60 Cb -0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.32 1qk4 h ALA 60 CO -0.06 0.57 0.24 -0.92 0.00 0.00 0.00 179.25 179.08 1qk4 h TYR 61 N 1.25 0.57 -0.57 0.00 3.20 -0.70 0.30 116.97 121.03 1qk4 h TYR 61 Ca 0.34 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 1qk4 h TYR 61 Cb -0.14 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1qk4 h TYR 61 CO -0.01 0.42 0.31 -0.44 -1.64 0.00 0.00 178.16 176.81 1qk4 h ASP 62 N 0.55 0.71 -0.14 -2.11 3.32 -0.10 -2.32 116.42 116.34 1qk4 h ASP 62 Ca 0.15 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1qk4 h ASP 62 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1qk4 h ASP 62 CO -0.03 0.60 0.08 0.40 -1.72 0.00 0.00 179.24 178.57 1qk4 h ILE 63 N 0.77 1.08 -0.89 0.35 2.04 -0.22 -1.05 117.51 119.58 1qk4 h ILE 63 Ca 0.20 -0.20 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1qk4 h ILE 63 Cb 0.04 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 1qk4 h ILE 63 CO -0.03 0.07 0.50 -0.74 0.00 0.00 0.00 178.15 177.94 1qk4 h HIS 64 N 0.15 0.88 -0.02 1.37 2.76 -0.19 -0.81 115.15 119.28 1qk4 h HIS 64 Ca 0.05 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.08 1qk4 h HIS 64 Cb 0.04 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1qk4 h HIS 64 CO -0.05 0.24 -0.78 0.00 -1.30 0.00 0.00 177.93 176.04 1qk4 h ARG 65 N 0.71 0.21 -0.10 5.26 3.08 -1.13 -1.87 114.38 120.53 1qk4 h ARG 65 Ca 0.48 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 1qk4 h ARG 65 Cb 0.65 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1qk4 h ARG 65 CO -0.34 0.88 -0.01 1.15 -1.07 0.00 0.00 179.97 180.58 1qk4 h THR 66 N 0.13 1.26 -0.54 2.04 2.02 -0.10 -3.32 112.91 114.41 1qk4 h THR 66 Ca -0.03 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1qk4 h THR 66 Cb 1.36 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1qk4 h THR 66 CO 0.12 0.24 0.00 -1.22 0.37 0.00 0.00 175.52 175.03 1qk4 n TYR 67 N -4.80 1.58 -1.65 3.16 4.02 -0.42 -2.29 117.16 116.77 1qk4 n TYR 67 Ca -0.06 -0.70 -0.49 0.00 -0.01 0.00 0.00 57.90 56.63 1qk4 n TYR 67 Cb 0.21 -0.35 -0.05 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 0.60 2.03 -0.99 -0.72 7.35 -0.70 -0.71 117.46 124.31 1qk4 n PHE 68 Ca 0.25 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1qk4 n PHE 68 Cb 0.99 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 38.33 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 3.39 0.70 3.55 7.13 0.00 -1.26 -4.95 105.19 113.75 1qk4 n GLY 69 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 1.99 0.01 1.61 0.41 0.11 -4.94 118.70 117.80 1qk4 s GLU 70 Ca 0.00 -1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 53.04 1qk4 s GLU 70 Cb 0.00 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.14 1qk4 s GLU 70 CO 0.00 0.45 1.17 -2.00 -0.49 0.00 0.00 175.26 174.39 1qk4 s GLU 71 N -2.58 4.42 -0.19 1.61 2.12 -1.26 -4.94 118.70 117.88 1qk4 s GLU 71 Ca 0.23 1.68 0.01 0.00 0.36 0.00 0.00 54.97 57.24 1qk4 s GLU 71 Cb -0.09 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.88 1qk4 s GLU 71 CO 0.14 -0.30 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.25 1qk4 s LEU 72 N 1.51 2.19 -0.30 2.70 2.96 -1.26 -4.18 118.68 122.30 1qk4 s LEU 72 Ca 0.56 -0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 1qk4 s LEU 72 Cb -0.26 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1qk4 s LEU 72 CO 0.26 -0.09 0.19 -1.00 -1.32 0.00 0.00 176.35 174.39 1qk4 s HIS 73 N 1.37 3.20 -0.16 5.38 3.76 -0.23 -1.00 115.29 127.61 1qk4 s HIS 73 Ca 0.01 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1qk4 s HIS 73 Cb -0.15 -2.39 -0.01 0.00 1.11 0.00 0.00 32.58 31.14 1qk4 s HIS 73 CO -0.10 -0.28 -0.11 0.42 -0.85 0.00 0.00 174.74 173.83 1qk4 s ILE 74 N 1.71 3.13 -0.22 0.60 1.01 -0.47 -0.60 121.20 126.37 1qk4 s ILE 74 Ca 0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 1qk4 s ILE 74 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1qk4 s ILE 74 CO 0.09 0.50 0.03 -0.63 0.00 0.00 0.00 174.94 174.93 1qk4 s ILE 75 N 0.71 4.15 -0.27 2.92 1.01 -0.13 -0.55 121.20 129.04 1qk4 s ILE 75 Ca -0.05 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1qk4 s ILE 75 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1qk4 s ILE 75 CO 0.02 0.39 0.40 0.00 0.00 0.00 0.00 174.94 175.75 1qk4 s ILE 77 N 2.11 4.45 0.51 0.00 1.01 -0.92 -1.58 121.20 126.78 1qk4 s ILE 77 Ca 0.16 0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.95 1qk4 s ILE 77 Cb -0.16 -4.49 -0.08 0.00 0.01 0.00 0.00 42.46 37.74 1qk4 s ILE 77 CO 0.10 -1.02 1.01 -0.76 0.00 0.00 0.00 174.94 174.27 1qk4 s LEU 78 N 3.79 3.72 -0.05 2.97 1.43 -0.05 -2.05 118.68 128.44 1qk4 s LEU 78 Ca 0.31 1.75 0.14 0.00 -1.03 0.00 0.00 54.13 55.29 1qk4 s LEU 78 Cb -0.12 -4.53 -0.23 0.00 0.03 0.00 0.00 46.19 41.33 1qk4 s LEU 78 CO 0.20 -0.73 0.61 0.29 0.23 0.00 0.00 176.35 176.95 1qk4 n LYS 79 N -1.33 0.64 -0.18 1.70 5.02 -1.26 -3.69 118.16 119.05 1qk4 n LYS 79 Ca 0.08 0.26 0.18 0.00 -2.02 0.00 0.00 58.31 56.81 1qk4 n LYS 79 Cb 0.53 -1.77 0.54 0.00 -0.02 0.00 0.00 35.03 34.32 1qk4 n LYS 79 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1qk4 h GLY 80 N 3.58 0.64 0.25 0.72 0.00 -1.83 -2.48 103.07 103.96 1qk4 h GLY 80 Ca -0.30 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1qk4 h GLY 80 CO 0.07 0.02 -0.09 1.44 0.00 0.00 0.00 176.54 177.99 1qk4 n SER 81 N -4.46 0.92 -0.30 0.19 7.64 -0.87 -4.27 113.62 112.47 1qk4 n SER 81 Ca 0.16 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1qk4 n SER 81 Cb 0.64 0.01 0.14 0.00 -1.01 0.00 0.00 64.21 63.99 1qk4 n SER 81 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1qk4 h ARG 82 N 1.31 0.91 -0.36 1.43 -0.00 -1.65 0.26 114.38 116.28 1qk4 h ARG 82 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.98 59.87 1qk4 h ARG 82 Cb 0.40 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.97 30.15 1qk4 h ARG 82 CO 0.00 0.60 0.02 0.78 -0.00 0.00 0.00 179.97 181.37 1qk4 h GLY 83 N 0.94 0.68 0.82 0.08 0.00 -1.84 -1.03 103.07 102.72 1qk4 h GLY 83 Ca 0.37 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1qk4 h GLY 83 CO -0.17 0.45 0.02 -2.75 0.00 0.00 0.00 176.54 174.08 1qk4 h PHE 84 N 0.45 0.36 -0.50 5.60 3.57 -1.76 -1.46 116.94 123.21 1qk4 h PHE 84 Ca 0.11 -0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1qk4 h PHE 84 Cb 0.43 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1qk4 h PHE 84 CO 0.03 0.51 0.09 0.35 -2.23 0.00 0.00 178.31 177.06 1qk4 h PHE 85 N 0.11 0.13 -0.70 0.41 3.57 -0.43 0.13 116.94 120.17 1qk4 h PHE 85 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1qk4 h PHE 85 Cb 0.36 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1qk4 h PHE 85 CO 0.03 -0.02 0.33 -0.91 -2.23 0.00 0.00 178.31 175.50 1qk4 h ASN 86 N 0.22 0.90 -0.22 0.41 2.35 -1.11 0.64 115.58 118.77 1qk4 h ASN 86 Ca 0.25 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1qk4 h ASN 86 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1qk4 h ASN 86 CO -0.34 0.77 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.08 1qk4 h LEU 87 N 0.99 0.43 -0.08 1.61 3.38 -0.85 -2.59 115.31 118.19 1qk4 h LEU 87 Ca 0.24 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1qk4 h LEU 87 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qk4 h LEU 87 CO -0.03 0.70 0.05 0.25 0.09 0.00 0.00 178.44 179.50 1qk4 h LEU 88 N 0.16 0.10 -1.35 1.67 5.85 -0.09 -1.90 115.31 119.75 1qk4 h LEU 88 Ca 0.06 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1qk4 h LEU 88 Cb 0.51 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1qk4 h LEU 88 CO 0.02 0.11 -0.04 0.16 -0.34 0.00 0.00 178.44 178.35 1qk4 h ILE 89 N 0.08 1.18 -0.05 4.05 3.07 -0.93 0.52 117.51 125.43 1qk4 h ILE 89 Ca 0.03 -0.72 -0.00 0.00 1.55 0.00 0.00 64.86 65.72 1qk4 h ILE 89 Cb 0.03 1.04 -0.00 0.00 -0.27 0.00 0.00 36.82 37.62 1qk4 h ILE 89 CO -0.01 0.24 0.01 0.44 -1.05 0.00 0.00 178.15 177.78 1qk4 h ASP 90 N 0.36 0.07 -0.79 2.16 5.19 -1.20 -1.51 116.42 120.70 1qk4 h ASP 90 Ca 0.08 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1qk4 h ASP 90 Cb 0.31 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1qk4 h ASP 90 CO 0.01 0.27 0.32 1.88 -3.12 0.00 0.00 179.24 178.61 1qk4 h TYR 91 N -0.14 1.19 -0.47 4.55 -1.99 -1.11 -1.42 116.97 117.58 1qk4 h TYR 91 Ca 0.01 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.67 1qk4 h TYR 91 Cb 0.23 -0.36 -0.03 0.00 2.00 0.00 0.00 36.73 38.57 1qk4 h TYR 91 CO 0.00 0.90 0.29 -0.07 -0.00 0.00 0.00 178.16 179.28 1qk4 h LEU 92 N 1.14 0.50 -0.23 3.88 3.38 -0.70 0.18 115.31 123.46 1qk4 h LEU 92 Ca 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1qk4 h LEU 92 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qk4 h LEU 92 CO -0.02 0.36 0.10 0.00 0.09 0.00 0.00 178.44 178.96 1qk4 h ALA 93 N 1.19 0.29 -0.54 1.53 0.00 -1.21 -0.86 119.26 119.66 1qk4 h ALA 93 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1qk4 h ALA 93 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1qk4 h ALA 93 CO -0.06 -0.13 0.18 1.15 0.00 0.00 0.00 179.25 180.39 1qk4 h THR 94 N 0.23 1.23 -0.47 0.00 2.02 -0.98 -0.55 112.91 114.39 1qk4 h THR 94 Ca 0.08 -0.76 0.01 0.00 0.77 0.00 0.00 66.41 66.51 1qk4 h THR 94 Cb 0.15 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1qk4 h THR 94 CO -0.01 0.29 0.30 0.40 0.37 0.00 0.00 175.52 176.87 1qk4 h ILE 95 N 0.74 1.09 -0.34 3.11 2.04 -0.64 -0.54 117.51 122.97 1qk4 h ILE 95 Ca 0.18 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1qk4 h ILE 95 Cb 0.26 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1qk4 h ILE 95 CO -0.01 0.11 -0.06 -0.61 0.00 0.00 0.00 178.15 177.58 1qk4 h GLN 96 N 0.60 0.56 -0.23 2.37 4.15 -0.94 -0.93 115.11 120.69 1qk4 h GLN 96 Ca 0.18 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.33 1qk4 h GLN 96 Cb -0.04 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1qk4 h GLN 96 CO -0.06 0.63 -0.37 -0.22 -1.93 0.00 0.00 178.83 176.87 1qk4 h LYS 97 N 0.52 0.50 -0.02 1.69 3.64 -0.51 -2.94 116.57 119.46 1qk4 h LYS 97 Ca 0.10 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1qk4 h LYS 97 Cb 0.43 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1qk4 h LYS 97 CO 0.02 0.80 -0.07 0.66 -2.27 0.00 0.00 179.45 178.59 1qk4 n TYR 98 N -4.05 0.00 -1.87 1.91 0.53 -0.26 -4.98 117.16 108.45 1qk4 n TYR 98 Ca -0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.48 1qk4 n TYR 98 Cb 0.49 -0.02 0.02 0.00 -1.03 0.00 0.00 39.34 38.81 1qk4 n TYR 98 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 1qk4 s SER 99 N -2.11 5.62 -0.01 7.72 0.01 -0.39 -4.96 113.70 119.59 1qk4 s SER 99 Ca 0.32 2.74 -0.23 0.00 1.31 0.00 0.00 55.95 60.09 1qk4 s SER 99 Cb 0.20 -2.64 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 1qk4 s SER 99 CO 0.37 -1.33 1.00 1.23 0.41 0.00 0.00 173.24 174.93 1qk4 h GLY 100 N 1.86 -0.68 -6.70 3.44 0.00 -1.90 -3.40 103.07 95.69 1qk4 h GLY 100 Ca -0.51 0.25 -0.57 0.00 0.00 0.00 0.00 47.33 46.50 1qk4 h GLY 100 CO 0.59 -0.25 1.18 -1.60 0.00 0.00 0.00 176.54 176.46 1qk4 s ARG 101 N -4.24 3.50 0.42 4.80 3.52 -1.26 -4.98 118.95 120.71 1qk4 s ARG 101 Ca -0.12 1.31 -0.11 0.00 -0.13 0.00 0.00 55.73 56.68 1qk4 s ARG 101 Cb 0.01 -4.11 -0.06 0.00 -1.56 0.00 0.00 34.95 29.23 1qk4 s ARG 101 CO 0.41 -1.66 0.79 -1.21 -0.81 0.00 0.00 175.30 172.83 1qk4 s GLU 102 N 5.24 3.77 0.00 5.12 2.02 -1.26 -5.10 118.70 128.49 1qk4 s GLU 102 Ca 0.72 0.49 -0.14 0.00 0.02 0.00 0.00 54.97 56.07 1qk4 s GLU 102 Cb -0.20 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1qk4 s GLU 102 CO 0.33 -0.08 0.29 0.45 0.02 0.00 0.00 175.26 176.26 1qk4 s SER 103 N -3.25 -0.15 0.00 -0.19 0.15 -1.26 -5.04 113.70 103.96 1qk4 s SER 103 Ca 0.52 -0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.41 1qk4 s SER 103 Cb -0.10 0.31 0.66 0.00 -1.71 0.00 0.00 66.02 65.18 1qk4 s SER 103 CO 0.33 -0.48 1.51 -1.54 1.20 0.00 0.00 173.24 174.26 1qk4 n SER 104 N 1.12 1.38 -4.77 5.45 3.41 -1.26 -4.85 113.62 114.10 1qk4 n SER 104 Ca -0.21 -1.17 -0.37 0.00 -0.26 0.00 0.00 58.87 56.86 1qk4 n SER 104 Cb 0.57 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 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 -2.37 5.18 0.85 -3.33 1.01 -1.26 -5.06 120.40 115.42 1qk4 s VAL 105 Ca 0.26 0.75 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 1qk4 s VAL 105 Cb 0.19 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.97 1qk4 s VAL 105 CO 0.48 0.45 1.10 -2.65 0.00 0.00 0.00 175.10 174.48 1qk4 n PRO 106 N 2.87 -0.06 0.29 2.72 -0.02 -1.26 -4.90 135.00 134.64 1qk4 n PRO 106 Ca -0.12 0.06 0.15 0.00 -2.02 0.00 0.00 63.50 61.57 1qk4 n PRO 106 Cb 0.52 -2.35 0.86 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.26 0.00 -2.02 0.52 0.13 -1.93 -3.44 132.00 123.99 1qk4 h PRO 107 Ca -0.45 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.89 1qk4 h PRO 107 Cb 1.29 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.31 1qk4 h PRO 107 CO 0.43 0.05 0.60 -0.59 -0.23 0.00 0.00 178.00 178.26 1qk4 s PHE 108 N -4.42 -0.15 -0.10 1.56 -0.12 -1.26 -4.71 117.98 108.77 1qk4 s PHE 108 Ca -0.04 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.80 1qk4 s PHE 108 Cb 0.14 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 1qk4 s PHE 108 CO 0.55 -0.58 -0.14 -0.06 -0.05 0.00 0.00 175.22 174.95 1qk4 s PHE 109 N -2.96 1.83 0.19 3.49 0.40 -0.17 -4.95 117.98 115.82 1qk4 s PHE 109 Ca 0.11 -0.85 -0.10 0.00 -0.60 0.00 0.00 56.93 55.49 1qk4 s PHE 109 Cb 0.00 -1.35 -0.07 0.00 0.51 0.00 0.00 43.02 42.12 1qk4 s PHE 109 CO -0.02 -0.46 0.51 -1.83 0.70 0.00 0.00 175.22 174.13 1qk4 s GLU 110 N 1.05 3.81 0.02 0.44 -1.05 -1.26 -1.36 118.70 120.35 1qk4 s GLU 110 Ca -0.06 0.26 -0.10 0.00 -0.15 0.00 0.00 54.97 54.92 1qk4 s GLU 110 Cb -0.15 -2.75 0.01 0.00 -0.44 0.00 0.00 34.13 30.79 1qk4 s GLU 110 CO -0.02 0.39 0.20 -1.01 0.95 0.00 0.00 175.26 175.76 1qk4 s HIS 111 N -1.69 0.02 -0.02 4.83 3.76 0.28 -4.91 115.29 117.55 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 -0.12 -0.02 -0.00 0.00 1.11 0.00 0.00 32.58 33.55 1qk4 s HIS 111 CO 0.21 -0.39 -0.11 0.71 -0.85 0.00 0.00 174.74 174.31 1qk4 s TYR 112 N -2.08 1.06 0.22 1.40 1.51 -1.26 -0.29 117.35 117.92 1qk4 s TYR 112 Ca -0.09 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1qk4 s TYR 112 Cb -0.03 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 41.04 1qk4 s TYR 112 CO -0.01 -0.08 0.03 0.14 -1.11 0.00 0.00 175.55 174.52 1qk4 s VAL 113 N 0.01 0.79 0.38 0.71 -7.23 -0.61 -4.90 120.40 109.54 1qk4 s VAL 113 Ca -0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1qk4 s VAL 113 Cb -0.07 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1qk4 s VAL 113 CO 0.00 -0.29 0.15 -0.13 -0.31 0.00 0.00 175.10 174.52 1qk4 s ARG 114 N -3.93 1.85 0.03 4.82 1.81 -0.03 -0.87 118.95 122.64 1qk4 s ARG 114 Ca 0.29 -2.11 0.00 0.00 -1.72 0.00 0.00 55.73 52.20 1qk4 s ARG 114 Cb 0.06 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 34.07 1qk4 s ARG 114 CO 0.08 -0.48 0.14 -0.51 -0.68 0.00 0.00 175.30 173.85 1qk4 s LEU 115 N -3.54 4.10 0.00 2.53 1.43 -1.24 0.19 118.68 122.14 1qk4 s LEU 115 Ca 0.28 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1qk4 s LEU 115 Cb 0.03 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1qk4 s LEU 115 CO 0.16 0.22 0.00 2.29 0.23 0.00 0.00 176.35 179.25 1qk4 n LYS 116 N 0.70 0.00 -0.59 1.70 -0.00 0.15 -4.85 118.16 115.27 1qk4 n LYS 116 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.01 1qk4 n LYS 116 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.53 1qk4 n LYS 116 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1qk4 n GLN 126 N 0.00 0.00 -2.19 -1.58 -0.06 -1.26 -4.85 117.38 107.44 1qk4 n GLN 126 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 1qk4 n GLN 126 Cb 0.00 -0.44 -0.03 0.00 -4.06 0.00 0.00 30.24 25.71 1qk4 n GLN 126 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1qk4 s LEU 127 N 1.13 4.44 0.11 1.69 0.20 -1.26 -5.05 118.68 119.94 1qk4 s LEU 127 Ca 0.28 2.53 -0.00 0.00 0.69 0.00 0.00 54.13 57.62 1qk4 s LEU 127 Cb -0.40 -3.63 -0.04 0.00 -0.43 0.00 0.00 46.19 41.68 1qk4 s LEU 127 CO 0.24 -0.49 0.01 0.42 -0.29 0.00 0.00 176.35 176.23 1qk4 s THR 128 N -0.59 0.29 0.17 3.68 -4.23 -1.26 -4.82 115.64 108.87 1qk4 s THR 128 Ca 0.52 -1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 1qk4 s THR 128 Cb -0.38 -1.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.54 1qk4 s THR 128 CO 0.45 -0.69 1.32 -0.69 -0.54 0.00 0.00 174.62 174.48 1qk4 s VAL 129 N -3.90 3.30 -0.39 2.29 1.01 -1.26 -0.67 120.40 120.78 1qk4 s VAL 129 Ca 0.17 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.06 1qk4 s VAL 129 Cb 0.07 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1qk4 s VAL 129 CO -0.02 0.13 0.23 -0.22 0.00 0.00 0.00 175.10 175.21 1qk4 s LEU 130 N 0.29 4.85 -0.26 3.92 2.96 0.49 -4.92 118.68 126.01 1qk4 s LEU 130 Ca 0.59 -1.07 0.14 0.00 -0.22 0.00 0.00 54.13 53.57 1qk4 s LEU 130 Cb -0.36 -2.04 0.47 0.00 0.50 0.00 0.00 46.19 44.77 1qk4 s LEU 130 CO 0.35 -0.42 1.16 -1.54 -1.32 0.00 0.00 176.35 174.58 1qk4 n SER 131 N 5.01 3.26 0.00 3.68 3.41 -1.26 -0.85 113.62 126.87 1qk4 n SER 131 Ca -0.12 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 1qk4 n SER 131 Cb 0.46 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1qk4 n SER 131 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1qk4 n ASP 132 N -0.64 0.00 -2.25 4.04 9.92 -1.26 -4.13 116.55 122.23 1qk4 n ASP 132 Ca 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1qk4 n ASP 132 Cb 0.90 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 1qk4 n ASP 132 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1qk4 n ASP 133 N 0.87 -5.36 -0.14 -2.24 2.03 -1.26 -4.86 116.55 105.59 1qk4 n ASP 133 Ca 0.00 0.61 0.15 0.00 0.52 0.00 0.00 54.79 56.07 1qk4 n ASP 133 Cb 0.00 -1.11 0.69 0.00 -0.72 0.00 0.00 41.12 39.98 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 1.91 0.50 0.21 -2.67 4.77 -1.26 -3.95 117.00 116.51 1qk4 n LEU 134 Ca 0.00 -0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1qk4 n LEU 134 Cb 0.07 -0.11 0.73 0.00 -2.33 0.00 0.00 43.42 41.78 1qk4 n LEU 134 CO 0.00 0.09 0.93 0.77 -1.33 0.00 0.00 177.39 177.85 1qk4 h SER 135 N 0.70 0.00 0.70 -1.43 4.64 -1.95 -0.30 113.55 115.91 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 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 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 -0.05 0.95 3.07 -1.95 -2.24 117.51 117.29 1qk4 h ILE 136 Ca 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.15 1qk4 h ILE 136 Cb 0.09 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 37.67 1qk4 h ILE 136 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1qk4 n PHE 137 N -2.43 0.05 -1.72 0.16 3.01 -0.12 -4.82 117.46 111.58 1qk4 n PHE 137 Ca 0.01 -0.03 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1qk4 n PHE 137 Cb 0.22 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 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 0.20 2.64 -2.31 -1.08 0.63 -0.84 -1.16 116.66 114.74 1qk4 n ARG 138 Ca 0.18 0.95 -0.18 0.00 -0.92 0.00 0.00 57.85 57.88 1qk4 n ARG 138 Cb 0.35 -2.75 -0.02 0.00 0.45 0.00 0.00 32.46 30.49 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 3.04 -5.24 -4.67 6.15 2.03 0.50 -4.84 116.55 113.52 1qk4 n ASP 139 Ca 0.13 0.10 -0.23 0.00 0.52 0.00 0.00 54.79 55.30 1qk4 n ASP 139 Cb 0.35 -4.42 -0.07 0.00 -0.72 0.00 0.00 41.12 36.26 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 -4.86 2.40 -0.31 -0.67 -0.14 -0.31 -4.28 119.74 111.57 1qk4 s LYS 140 Ca 0.00 -1.35 -0.28 0.00 -1.36 0.00 0.00 55.97 52.99 1qk4 s LYS 140 Cb 0.00 -2.23 0.01 0.00 -1.68 0.00 0.00 37.83 33.93 1qk4 s LYS 140 CO 0.00 0.37 1.00 -1.01 -0.76 0.00 0.00 175.35 174.96 1qk4 s HIS 141 N -2.27 3.17 -0.09 3.18 3.76 -1.26 -0.68 115.29 121.09 1qk4 s HIS 141 Ca 0.31 1.11 0.01 0.00 -0.15 0.00 0.00 55.06 56.34 1qk4 s HIS 141 Cb -0.07 -3.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.03 1qk4 s HIS 141 CO 0.21 -0.71 -0.10 0.08 -0.85 0.00 0.00 174.74 173.36 1qk4 s VAL 142 N 3.47 3.37 -0.17 -0.90 1.01 0.16 -1.06 120.40 126.28 1qk4 s VAL 142 Ca 0.42 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1qk4 s VAL 142 Cb -0.13 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1qk4 s VAL 142 CO 0.14 0.56 -0.14 -0.22 0.00 0.00 0.00 175.10 175.44 1qk4 s LEU 143 N -0.30 1.97 -0.15 3.92 2.96 0.23 -0.96 118.68 126.35 1qk4 s LEU 143 Ca 0.03 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 53.16 1qk4 s LEU 143 Cb -0.13 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 1qk4 s LEU 143 CO 0.03 -0.08 0.28 -0.63 -1.32 0.00 0.00 176.35 174.63 1qk4 s ILE 144 N 1.42 5.31 -0.20 6.68 1.01 -0.56 -0.95 121.20 133.90 1qk4 s ILE 144 Ca 0.03 0.53 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1qk4 s ILE 144 Cb -0.14 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1qk4 s ILE 144 CO -0.10 0.41 -0.08 -0.69 0.00 0.00 0.00 174.94 174.48 1qk4 s VAL 145 N 0.34 3.15 0.10 2.92 1.01 0.12 -1.10 120.40 126.95 1qk4 s VAL 145 Ca 0.16 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1qk4 s VAL 145 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1qk4 s VAL 145 CO 0.04 0.46 -0.20 -0.70 0.00 0.00 0.00 175.10 174.70 1qk4 s GLU 146 N 1.23 1.09 -0.01 2.72 2.12 -0.13 -2.17 118.70 123.56 1qk4 s GLU 146 Ca 0.03 -1.15 -0.22 0.00 0.36 0.00 0.00 54.97 53.98 1qk4 s GLU 146 Cb -0.14 -1.32 -0.21 0.00 0.26 0.00 0.00 34.13 32.72 1qk4 s GLU 146 CO -0.03 0.30 1.15 0.38 -0.54 0.00 0.00 175.26 176.52 1qk4 h ASP 147 N 4.06 0.32 -4.67 -1.70 2.03 -1.86 -3.04 116.42 111.56 1qk4 h ASP 147 Ca -0.45 -0.67 -0.08 0.00 -0.73 0.00 0.00 57.03 55.09 1qk4 h ASP 147 Cb 1.18 -0.10 -0.20 0.00 -0.83 0.00 0.00 39.33 39.38 1qk4 h ASP 147 CO 0.40 0.94 -0.02 -0.51 -1.03 0.00 0.00 179.24 179.02 1qk4 s ILE 148 N -3.55 0.02 -0.18 4.15 2.07 -1.26 -2.71 121.20 119.74 1qk4 s ILE 148 Ca -0.15 -0.14 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 1qk4 s ILE 148 Cb 0.03 -0.82 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 1qk4 s ILE 148 CO 0.76 -0.08 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.95 1qk4 s VAL 149 N -0.77 3.31 0.00 4.00 1.01 -0.51 -4.98 120.40 122.45 1qk4 s VAL 149 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1qk4 s VAL 149 Cb -0.03 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1qk4 s VAL 149 CO 0.05 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.95 1qk4 n ASP 150 N 4.20 0.00 0.22 3.32 -0.08 -1.26 -1.52 116.55 121.43 1qk4 n ASP 150 Ca -0.18 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.22 1qk4 n ASP 150 Cb 0.52 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.19 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 0.06 0.00 5.18 1.35 -1.95 -3.45 112.91 114.10 1qk4 h THR 151 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1qk4 h THR 151 Cb 0.00 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1qk4 h THR 151 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1qk4 n GLY 152 N 0.99 0.68 0.09 5.82 0.00 -1.26 -4.58 105.19 106.93 1qk4 n GLY 152 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 0.18 -0.34 1.61 3.57 -1.99 -1.13 116.94 118.84 1qk4 h PHE 153 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1qk4 h PHE 153 Cb 0.00 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1qk4 h PHE 153 CO 0.00 0.44 0.14 1.15 -2.23 0.00 0.00 178.31 177.81 1qk4 h THR 154 N -0.14 0.93 0.00 4.41 2.02 -1.93 -0.64 112.91 117.56 1qk4 h THR 154 Ca 0.02 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 1qk4 h THR 154 Cb 0.37 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1qk4 h THR 154 CO 0.01 0.05 -0.55 -0.07 0.37 0.00 0.00 175.52 175.33 1qk4 h LEU 155 N 0.29 0.00 0.04 2.58 3.38 -1.97 -1.64 115.31 118.00 1qk4 h LEU 155 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qk4 h LEU 155 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1qk4 h LEU 155 CO -0.14 0.55 -0.02 0.74 0.09 0.00 0.00 178.44 179.66 1qk4 h THR 156 N 0.00 1.28 -0.41 0.22 2.02 -0.52 -1.08 112.91 114.42 1qk4 h THR 156 Ca -0.01 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1qk4 h THR 156 Cb 1.10 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 1qk4 h THR 156 CO 0.07 0.28 0.21 -0.33 0.37 0.00 0.00 175.52 176.12 1qk4 h GLU 157 N -0.55 0.58 -0.48 6.66 4.39 -1.12 -2.47 114.58 121.60 1qk4 h GLU 157 Ca -0.01 -0.08 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 1qk4 h GLU 157 Cb 0.50 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1qk4 h GLU 157 CO 0.01 0.48 -0.14 0.35 -1.16 0.00 0.00 179.01 178.56 1qk4 h PHE 158 N 0.52 1.00 -0.87 4.33 3.57 -1.39 -3.14 116.94 120.96 1qk4 h PHE 158 Ca 0.14 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1qk4 h PHE 158 Cb 0.09 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 1qk4 h PHE 158 CO -0.02 0.97 0.54 0.78 -2.23 0.00 0.00 178.31 178.35 1qk4 h GLY 159 N 0.95 1.32 0.87 2.40 0.00 -0.90 -1.20 103.07 106.51 1qk4 h GLY 159 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1qk4 h GLY 159 CO 0.05 0.25 0.47 0.83 0.00 0.00 0.00 176.54 178.13 1qk4 h GLU 160 N 0.97 0.88 -0.44 4.80 4.39 -1.41 0.11 114.58 123.88 1qk4 h GLU 160 Ca 0.38 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.96 1qk4 h GLU 160 Cb 0.20 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1qk4 h GLU 160 CO -0.18 0.58 -0.00 0.00 -1.16 0.00 0.00 179.01 178.25 1qk4 h ARG 161 N 0.91 0.73 -0.14 2.33 3.08 -1.37 -2.67 114.38 117.24 1qk4 h ARG 161 Ca 0.30 -0.19 -0.18 0.00 0.07 0.00 0.00 59.98 59.98 1qk4 h ARG 161 Cb 0.02 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1qk4 h ARG 161 CO -0.11 0.74 -0.66 1.25 -1.07 0.00 0.00 179.97 180.12 1qk4 h LEU 162 N 0.68 0.65 -1.38 3.04 5.85 -0.82 -3.05 115.31 120.28 1qk4 h LEU 162 Ca 0.14 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1qk4 h LEU 162 Cb 0.43 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1qk4 h LEU 162 CO 0.02 1.13 0.47 0.11 -0.34 0.00 0.00 178.44 179.84 1qk4 h LYS 163 N 0.40 0.74 -0.40 1.25 1.57 -0.68 -1.88 116.57 117.58 1qk4 h LYS 163 Ca -0.02 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1qk4 h LYS 163 Cb 1.24 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1qk4 h LYS 163 CO 0.12 0.49 0.31 0.00 -0.57 0.00 0.00 179.45 179.81 1qk4 h ALA 164 N 1.61 2.30 -0.01 3.86 0.00 -1.37 -0.85 119.26 124.80 1qk4 h ALA 164 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1qk4 h ALA 164 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qk4 h ALA 164 CO -0.10 -0.52 -0.06 1.33 0.00 0.00 0.00 179.25 179.90 1qk4 n VAL 165 N -4.26 0.00 -2.18 0.00 0.24 -0.71 -4.98 118.33 106.45 1qk4 n VAL 165 Ca 0.07 -0.19 -0.04 0.00 -2.04 0.00 0.00 64.34 62.13 1qk4 n VAL 165 Cb 0.50 0.37 0.02 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.31 3.74 7.63 0.00 -0.32 -4.27 105.19 113.48 1qk4 n GLY 166 Ca 0.18 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1qk4 n GLY 166 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qk4 s PRO 167 N -3.91 1.88 0.14 1.61 0.02 -1.26 -0.37 135.00 133.11 1qk4 s PRO 167 Ca 0.05 1.31 -0.07 0.00 0.02 0.00 0.00 61.00 62.31 1qk4 s PRO 167 Cb -0.01 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 1qk4 s PRO 167 CO 0.18 -1.95 1.38 -0.22 -0.33 0.00 0.00 177.00 176.06 1qk4 h LYS 168 N -1.31 0.60 -3.19 5.54 3.64 -1.08 -3.42 116.57 117.35 1qk4 h LYS 168 Ca -0.44 -0.48 -0.05 0.00 -1.27 0.00 0.00 60.65 58.41 1qk4 h LYS 168 Cb 1.24 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 33.02 1qk4 h LYS 168 CO 0.48 1.11 -0.02 -1.54 -2.27 0.00 0.00 179.45 177.21 1qk4 s SER 169 N -7.03 -0.32 -0.02 4.20 1.04 -1.11 -4.71 113.70 105.74 1qk4 s SER 169 Ca -0.08 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 1qk4 s SER 169 Cb 0.10 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1qk4 s SER 169 CO 0.87 -0.83 0.04 -0.04 0.98 0.00 0.00 173.24 174.26 1qk4 s MET 170 N -3.42 -0.04 0.12 4.02 -1.94 -1.26 -0.66 119.30 116.11 1qk4 s MET 170 Ca 0.00 0.22 -0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1qk4 s MET 170 Cb 0.01 -0.28 -0.04 0.00 2.01 0.00 0.00 34.83 36.52 1qk4 s MET 170 CO -0.09 -0.19 0.02 1.03 -0.01 0.00 0.00 175.02 175.78 1qk4 s ARG 171 N 1.22 0.88 -0.10 2.03 0.52 -0.13 -4.63 118.95 118.74 1qk4 s ARG 171 Ca -0.07 -1.40 0.03 0.00 -0.52 0.00 0.00 55.73 53.77 1qk4 s ARG 171 Cb -0.13 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.47 1qk4 s ARG 171 CO -0.03 -0.19 -0.19 0.42 0.02 0.00 0.00 175.30 175.33 1qk4 s ILE 172 N -3.93 1.74 -0.14 1.52 1.01 -1.26 -1.50 121.20 118.63 1qk4 s ILE 172 Ca 0.19 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1qk4 s ILE 172 Cb 0.07 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1qk4 s ILE 172 CO -0.01 0.49 -0.08 0.00 0.00 0.00 0.00 174.94 175.34 1qk4 s ALA 173 N 0.61 2.84 -0.02 9.38 0.00 -0.26 -0.18 121.76 134.12 1qk4 s ALA 173 Ca -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1qk4 s ALA 173 Cb -0.17 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.57 1qk4 s ALA 173 CO 0.04 0.23 0.04 -0.08 0.00 0.00 0.00 175.76 175.99 1qk4 s THR 174 N 0.36 -0.04 0.15 0.00 -1.32 -0.33 -0.95 115.64 113.51 1qk4 s THR 174 Ca -0.07 0.14 -0.15 0.00 -1.21 0.00 0.00 61.69 60.40 1qk4 s THR 174 Cb -0.15 -0.09 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 1qk4 s THR 174 CO 0.04 0.06 1.70 0.25 -2.21 0.00 0.00 174.62 174.46 1qk4 h LEU 175 N 6.89 0.64 -8.14 9.08 5.85 -1.39 -2.30 115.31 125.94 1qk4 h LEU 175 Ca -0.38 -0.17 -0.35 0.00 0.84 0.00 0.00 57.88 57.82 1qk4 h LEU 175 Cb 1.15 -0.17 -0.25 0.00 0.37 0.00 0.00 40.66 41.77 1qk4 h LEU 175 CO 0.48 0.63 -0.76 -0.69 -0.34 0.00 0.00 178.44 177.76 1qk4 s VAL 176 N -5.56 0.71 -0.09 1.05 1.01 -1.10 -0.77 120.40 115.65 1qk4 s VAL 176 Ca -0.13 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1qk4 s VAL 176 Cb 0.11 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1qk4 s VAL 176 CO 0.77 -0.08 -0.20 -1.83 0.00 0.00 0.00 175.10 173.76 1qk4 s GLU 177 N -0.94 2.60 0.28 2.72 -1.05 0.01 -1.43 118.70 120.90 1qk4 s GLU 177 Ca -0.02 -0.72 -0.20 0.00 -0.15 0.00 0.00 54.97 53.88 1qk4 s GLU 177 Cb -0.07 -2.02 -0.09 0.00 -0.44 0.00 0.00 34.13 31.51 1qk4 s GLU 177 CO 0.00 0.11 0.80 0.15 0.95 0.00 0.00 175.26 177.27 1qk4 s LYS 178 N 0.51 4.27 -0.81 -4.83 1.02 -0.57 -1.45 119.74 117.89 1qk4 s LYS 178 Ca -0.16 0.95 -0.19 0.00 0.02 0.00 0.00 55.97 56.59 1qk4 s LYS 178 Cb -0.17 -2.71 0.12 0.00 -0.52 0.00 0.00 37.83 34.55 1qk4 s LYS 178 CO 0.06 0.28 1.00 1.03 -0.92 0.00 0.00 175.35 176.81 1qk4 s ARG 179 N -2.30 3.39 -0.10 1.68 0.52 0.05 -4.90 118.95 117.30 1qk4 s ARG 179 Ca 0.48 -1.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1qk4 s ARG 179 Cb -0.15 -4.62 0.03 0.00 0.52 0.00 0.00 34.95 30.73 1qk4 s ARG 179 CO 0.20 -1.72 -0.05 0.95 0.02 0.00 0.00 175.30 174.70 1qk4 s THR 180 N 2.89 0.83 0.00 0.02 -4.23 -1.26 -3.52 115.64 110.37 1qk4 s THR 180 Ca 0.26 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1qk4 s THR 180 Cb -0.11 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1qk4 s THR 180 CO -0.02 0.34 0.00 -0.90 -0.54 0.00 0.00 174.62 173.49 1qk4 n ASP 181 N 4.99 0.00 -0.97 3.99 5.75 -1.26 -5.03 116.55 124.01 1qk4 n ASP 181 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1qk4 n ASP 181 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1qk4 n ASP 181 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1qk4 n ASN 184 N 0.00 -1.42 0.00 -1.12 2.85 -1.26 -5.16 115.26 109.15 1qk4 n ASN 184 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qk4 n ASN 184 Cb 0.00 -0.71 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1qk4 n ASN 184 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1qk4 n SER 185 N 0.00 0.00 -4.75 1.20 7.64 -1.26 -5.09 113.62 111.35 1qk4 n SER 185 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1qk4 n SER 185 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1qk4 n SER 185 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qk4 s LEU 186 N 0.00 4.45 0.04 -3.43 0.20 -1.26 -4.93 118.68 113.75 1qk4 s LEU 186 Ca 0.00 2.47 0.05 0.00 0.69 0.00 0.00 54.13 57.34 1qk4 s LEU 186 Cb 0.00 -3.63 -0.02 0.00 -0.43 0.00 0.00 46.19 42.11 1qk4 s LEU 186 CO 0.00 -0.44 -0.16 -0.54 -0.29 0.00 0.00 176.35 174.93 1qk4 s LYS 187 N -1.00 1.05 0.69 1.98 1.02 -0.39 -4.84 119.74 118.25 1qk4 s LYS 187 Ca 0.51 -0.78 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 1qk4 s LYS 187 Cb -0.36 -1.08 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1qk4 s LYS 187 CO 0.44 0.27 1.00 0.20 -0.92 0.00 0.00 175.35 176.34 1qk4 s GLY 188 N -1.09 1.70 -0.08 -3.33 0.00 -1.26 -3.59 107.32 99.66 1qk4 s GLY 188 Ca 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 1qk4 s GLY 188 CO 0.01 -0.56 0.53 -0.55 0.00 0.00 0.00 173.10 172.53 1qk4 h ASP 189 N -0.56 0.42 -3.66 1.64 3.32 -0.93 -3.39 116.42 113.26 1qk4 h ASP 189 Ca -0.44 -0.80 -0.65 0.00 0.02 0.00 0.00 57.03 55.15 1qk4 h ASP 189 Cb 1.31 -0.14 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 1qk4 h ASP 189 CO 0.59 1.70 -0.72 -0.36 -1.72 0.00 0.00 179.24 178.74 1qk4 s PHE 190 N -2.57 3.63 -0.09 4.55 0.40 -0.08 -4.38 117.98 119.43 1qk4 s PHE 190 Ca -0.17 -2.93 0.03 0.00 -0.60 0.00 0.00 56.93 53.26 1qk4 s PHE 190 Cb 0.06 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1qk4 s PHE 190 CO 0.81 -0.94 -0.20 0.08 0.70 0.00 0.00 175.22 175.66 1qk4 s VAL 191 N 0.94 1.77 -0.05 -0.44 1.01 -1.26 -1.19 120.40 121.18 1qk4 s VAL 191 Ca 0.11 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1qk4 s VAL 191 Cb -0.19 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 1qk4 s VAL 191 CO -0.09 0.50 0.63 1.23 0.00 0.00 0.00 175.10 177.37 1qk4 h GLY 192 N 6.83 -0.36 -5.25 4.51 0.00 -0.79 -3.38 103.07 104.63 1qk4 h GLY 192 Ca -0.23 0.13 -0.30 0.00 0.00 0.00 0.00 47.33 46.93 1qk4 h GLY 192 CO 0.47 -0.13 -0.75 -1.36 0.00 0.00 0.00 176.54 174.78 1qk4 s PHE 193 N -3.10 0.47 -0.27 5.60 0.40 0.05 -1.89 117.98 119.24 1qk4 s PHE 193 Ca -0.09 -0.17 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1qk4 s PHE 193 Cb 0.00 -0.29 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 1qk4 s PHE 193 CO 0.30 -0.03 0.15 0.45 0.70 0.00 0.00 175.22 176.80 1qk4 s SER 194 N -0.43 5.80 0.39 1.36 0.15 0.21 -0.81 113.70 120.37 1qk4 s SER 194 Ca -0.01 -0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.65 1qk4 s SER 194 Cb -0.04 -2.07 -0.07 0.00 -1.71 0.00 0.00 66.02 62.14 1qk4 s SER 194 CO -0.00 -0.03 0.03 0.27 1.20 0.00 0.00 173.24 174.71 1qk4 s ILE 195 N 1.62 1.68 0.78 6.45 -4.36 -0.52 -1.55 121.20 125.29 1qk4 s ILE 195 Ca 0.07 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.35 1qk4 s ILE 195 Cb -0.15 -2.87 0.06 0.00 1.25 0.00 0.00 42.46 40.74 1qk4 s ILE 195 CO 0.08 0.00 1.08 -1.83 0.24 0.00 0.00 174.94 174.52 1qk4 s GLU 196 N -3.77 2.26 -1.13 0.37 -1.05 -1.26 -0.77 118.70 113.34 1qk4 s GLU 196 Ca 0.33 0.86 -0.22 0.00 -0.15 0.00 0.00 54.97 55.79 1qk4 s GLU 196 Cb 0.09 -1.92 -0.01 0.00 -0.44 0.00 0.00 34.13 31.85 1qk4 s GLU 196 CO 0.16 -1.55 1.78 0.34 0.95 0.00 0.00 175.26 176.95 1qk4 s ASP 197 N -3.71 5.88 0.09 0.83 2.15 -1.23 -4.53 116.67 116.15 1qk4 s ASP 197 Ca 0.60 -1.68 0.01 0.00 0.43 0.00 0.00 52.55 51.92 1qk4 s ASP 197 Cb -0.15 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.85 1qk4 s ASP 197 CO 0.55 -2.14 -0.05 0.68 -0.17 0.00 0.00 175.17 174.04 1qk4 s VAL 198 N 7.63 0.59 -0.10 1.11 -7.23 -1.26 -5.06 120.40 116.09 1qk4 s VAL 198 Ca 0.60 -1.91 -0.20 0.00 -1.81 0.00 0.00 61.98 58.65 1qk4 s VAL 198 Cb -0.00 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1qk4 s VAL 198 CO 0.05 -0.88 0.58 0.86 -0.31 0.00 0.00 175.10 175.39 1qk4 s TRP 199 N -3.69 3.54 0.13 2.82 -0.11 -1.26 -5.01 118.94 115.36 1qk4 s TRP 199 Ca 0.12 1.04 0.08 0.00 1.22 0.00 0.00 56.10 58.56 1qk4 s TRP 199 Cb 0.06 -2.66 -0.04 0.00 -1.50 0.00 0.00 33.47 29.32 1qk4 s TRP 199 CO -0.05 0.13 -0.12 0.96 -4.62 0.00 0.00 176.95 173.25 1qk4 s ILE 200 N 0.72 3.20 0.11 5.86 -4.36 -1.26 -0.56 121.20 124.91 1qk4 s ILE 200 Ca 0.31 -1.44 0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1qk4 s ILE 200 Cb -0.16 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1qk4 s ILE 200 CO 0.14 0.04 -0.06 0.68 0.24 0.00 0.00 174.94 175.97 1qk4 s VAL 201 N -1.35 0.73 0.00 8.37 -7.23 0.08 -4.45 120.40 116.54 1qk4 s VAL 201 Ca 0.22 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1qk4 s VAL 201 Cb -0.10 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.09 1qk4 s VAL 201 CO 0.13 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 174.72 1qk4 n GLY 202 N -0.08 2.00 3.85 2.32 0.00 0.57 -0.28 105.19 113.57 1qk4 n GLY 202 Ca -0.11 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.98 3.48 0.48 0.00 1.51 0.16 -4.65 117.35 116.35 1qk4 s TYR 205 Ca 0.00 1.47 0.04 0.00 -1.01 0.00 0.00 57.07 57.57 1qk4 s TYR 205 Cb 0.00 -3.38 -0.02 0.00 -0.11 0.00 0.00 41.96 38.45 1qk4 s TYR 205 CO 0.00 -1.02 0.13 0.16 -1.11 0.00 0.00 175.55 173.70 1qk4 s ASP 206 N 0.11 4.26 -0.30 2.29 3.84 -1.26 -0.32 116.67 125.29 1qk4 s ASP 206 Ca 0.52 -1.41 -0.03 0.00 -0.00 0.00 0.00 52.55 51.63 1qk4 s ASP 206 Cb -0.31 0.16 0.10 0.00 -1.38 0.00 0.00 42.92 41.49 1qk4 s ASP 206 CO 0.36 -0.79 0.13 0.12 -0.00 0.00 0.00 175.17 174.99 1qk4 s PHE 207 N -2.77 0.67 -1.26 2.11 5.36 -0.94 -4.76 117.98 116.38 1qk4 s PHE 207 Ca 0.23 -1.11 -0.02 0.00 -0.96 0.00 0.00 56.93 55.07 1qk4 s PHE 207 Cb 0.02 -1.10 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 1qk4 s PHE 207 CO 0.13 -0.84 0.75 0.09 -1.46 0.00 0.00 175.22 173.89 1qk4 n ASN 208 N 5.11 -2.02 0.00 6.13 3.02 -1.26 -1.82 115.26 124.42 1qk4 n ASN 208 Ca -0.05 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1qk4 n ASN 208 Cb 0.42 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.42 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 -4.17 -0.31 -3.22 3.52 -0.58 -1.26 -5.00 120.64 109.61 1qk4 n GLU 209 Ca -0.26 0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.31 1qk4 n GLU 209 Cb 0.67 -3.90 -0.01 0.00 -0.57 0.00 0.00 31.44 27.63 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 -0.79 3.50 0.00 3.49 1.75 -0.76 -4.54 119.30 121.95 1qk4 s MET 210 Ca 0.00 -0.21 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1qk4 s MET 210 Cb 0.00 -2.60 0.00 0.00 2.84 0.00 0.00 34.83 35.07 1qk4 s MET 210 CO 0.00 0.08 0.00 1.19 -0.65 0.00 0.00 175.02 175.64 1qk4 n PHE 211 N -1.85 0.00 -0.35 4.11 3.72 -1.26 -2.22 117.46 119.61 1qk4 n PHE 211 Ca -0.04 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.43 1qk4 n PHE 211 Cb 0.56 -0.34 0.24 0.00 -0.94 0.00 0.00 39.48 39.00 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 2.22 0.97 -0.00 -1.08 3.08 -1.80 -1.86 114.38 115.92 1qk4 h ARG 212 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1qk4 h ARG 212 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1qk4 h ARG 212 CO 0.00 0.64 -0.04 -0.40 -1.07 0.00 0.00 179.97 179.10 1qk4 n ASP 213 N -4.58 0.13 -4.75 7.04 5.75 -1.26 -1.14 116.55 117.74 1qk4 n ASP 213 Ca 0.18 -0.23 -0.37 0.00 -0.01 0.00 0.00 54.79 54.35 1qk4 n ASP 213 Cb 0.32 -0.23 0.03 0.00 -1.03 0.00 0.00 41.12 40.22 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 -2.57 2.41 -1.55 2.11 5.36 -0.70 -4.84 117.98 118.20 1qk4 s PHE 214 Ca 0.28 1.45 0.27 0.00 -0.96 0.00 0.00 56.93 57.96 1qk4 s PHE 214 Cb 0.20 -3.64 0.80 0.00 -0.34 0.00 0.00 43.02 40.05 1qk4 s PHE 214 CO 0.47 -2.47 1.60 -0.25 -1.46 0.00 0.00 175.22 173.11 1qk4 n ASP 215 N -1.11 0.78 -4.32 6.13 10.43 -1.26 0.03 116.55 127.22 1qk4 n ASP 215 Ca 0.11 -0.65 -0.17 0.00 2.57 0.00 0.00 54.79 56.65 1qk4 n ASP 215 Cb 0.47 0.10 -0.10 0.00 1.84 0.00 0.00 41.12 43.43 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 -2.62 1.53 -0.36 1.24 3.76 -1.26 -3.40 115.29 114.18 1qk4 s HIS 216 Ca 0.22 -0.79 -0.16 0.00 -0.15 0.00 0.00 55.06 54.18 1qk4 s HIS 216 Cb 0.19 -0.83 -0.00 0.00 1.11 0.00 0.00 32.58 33.05 1qk4 s HIS 216 CO 0.55 0.10 0.40 0.08 -0.85 0.00 0.00 174.74 175.02 1qk4 s VAL 217 N -3.27 5.13 0.29 -0.90 1.01 0.02 -3.34 120.40 119.33 1qk4 s VAL 217 Ca 0.24 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.32 1qk4 s VAL 217 Cb 0.03 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1qk4 s VAL 217 CO 0.06 -0.19 -0.06 0.00 0.00 0.00 0.00 175.10 174.91 1qk4 s ALA 218 N 2.10 3.04 0.19 5.51 0.00 0.61 0.34 121.76 133.55 1qk4 s ALA 218 Ca 0.13 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.05 1qk4 s ALA 218 Cb -0.16 -0.52 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1qk4 s ALA 218 CO 0.12 0.23 0.77 0.08 0.00 0.00 0.00 175.76 176.96 1qk4 s VAL 219 N -2.43 4.41 -0.24 0.00 1.01 -0.15 -0.74 120.40 122.26 1qk4 s VAL 219 Ca 0.32 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 1qk4 s VAL 219 Cb -0.05 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1qk4 s VAL 219 CO 0.18 0.42 1.86 -0.22 0.00 0.00 0.00 175.10 177.34 1qk4 s LEU 220 N -1.41 3.68 0.86 3.92 2.96 0.28 -4.71 118.68 124.26 1qk4 s LEU 220 Ca 0.38 1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 55.81 1qk4 s LEU 220 Cb -0.21 -3.52 0.13 0.00 0.50 0.00 0.00 46.19 43.08 1qk4 s LEU 220 CO 0.25 -1.58 1.23 -0.94 -1.32 0.00 0.00 176.35 173.98 1qk4 s SER 221 N 5.94 3.98 0.06 3.68 1.04 -1.26 -4.88 113.70 122.26 1qk4 s SER 221 Ca 0.83 0.57 -0.25 0.00 0.48 0.00 0.00 55.95 57.58 1qk4 s SER 221 Cb -0.27 -0.89 -0.17 0.00 0.10 0.00 0.00 66.02 64.79 1qk4 s SER 221 CO 0.33 -2.22 1.58 0.44 0.98 0.00 0.00 173.24 174.36 1qk4 h ASP 222 N -1.27 -0.08 -0.80 7.02 3.32 -1.94 -0.54 116.42 122.13 1qk4 h ASP 222 Ca -0.45 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 56.64 1qk4 h ASP 222 Cb 1.29 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.76 1qk4 h ASP 222 CO 0.55 0.08 0.32 0.00 -1.72 0.00 0.00 179.24 178.47 1qk4 h ALA 223 N 0.69 1.17 0.17 3.45 0.00 -1.93 0.98 119.26 123.79 1qk4 h ALA 223 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qk4 h ALA 223 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qk4 h ALA 223 CO 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 179.25 178.94 1qk4 h ALA 224 N 1.60 -0.23 -0.22 0.00 0.00 -1.73 -0.21 119.26 118.46 1qk4 h ALA 224 Ca 0.46 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1qk4 h ALA 224 Cb 0.75 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1qk4 h ALA 224 CO -0.45 -0.58 0.07 -0.09 0.00 0.00 0.00 179.25 178.21 1qk4 h ARG 225 N -0.33 0.17 -0.55 0.00 2.43 -0.45 -0.55 114.38 115.09 1qk4 h ARG 225 Ca -0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1qk4 h ARG 225 Cb 0.26 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1qk4 h ARG 225 CO 0.04 0.11 0.02 0.87 -1.51 0.00 0.00 179.97 179.50 1qk4 h LYS 226 N 0.18 0.96 -0.20 0.20 1.57 -0.72 0.16 116.57 118.72 1qk4 h LYS 226 Ca 0.10 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1qk4 h LYS 226 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1qk4 h LYS 226 CO -0.10 0.96 0.04 -0.22 -0.57 0.00 0.00 179.45 179.55 1qk4 h LYS 227 N 0.85 0.33 -0.02 3.15 1.63 -0.90 -3.33 116.57 118.28 1qk4 h LYS 227 Ca 0.16 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1qk4 h LYS 227 Cb 0.51 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1qk4 h LYS 227 CO 0.02 0.47 -0.36 1.19 -3.45 0.00 0.00 179.45 177.33 1qk4 n PHE 228 N -4.75 0.00 -1.58 1.91 3.01 -0.23 -5.00 117.46 110.82 1qk4 n PHE 228 Ca -0.04 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.95 1qk4 n PHE 228 Cb 0.18 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1qk4 n PHE 228 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1qk4 n GLU 229 N 0.22 1.25 0.00 -1.08 1.02 0.57 -4.81 120.64 117.82 1qk4 n GLU 229 Ca 0.11 0.44 0.16 0.00 -0.02 0.00 0.00 57.16 57.85 1qk4 n GLU 229 Cb 0.49 -1.87 0.92 0.00 -0.02 0.00 0.00 31.44 30.96 1qk4 n GLU 229 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67