#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dq4 s ASP 2 N 0.00 4.96 -0.37 0.00 1.01 -1.26 -5.02 116.67 116.00 1dq4 s ASP 2 Ca 0.00 1.62 -0.15 0.00 0.71 0.00 0.00 52.55 54.73 1dq4 s ASP 2 Cb 0.00 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 1dq4 s ASP 2 CO 0.00 -1.71 0.35 -0.89 0.21 0.00 0.00 175.17 173.13 1dq4 s THR 3 N -3.02 5.18 -0.11 -1.27 2.01 -1.26 -5.03 115.64 112.13 1dq4 s THR 3 Ca 0.59 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1dq4 s THR 3 Cb -0.15 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1dq4 s THR 3 CO 0.55 -0.17 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.48 1dq4 s ILE 4 N 1.96 2.46 -0.13 1.82 -1.09 -1.26 -3.86 121.20 121.10 1dq4 s ILE 4 Ca 0.10 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 1dq4 s ILE 4 Cb -0.17 -1.98 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1dq4 s ILE 4 CO 0.12 0.55 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.53 1dq4 s VAL 5 N 0.34 1.62 0.12 2.92 1.01 -0.96 0.86 120.40 126.31 1dq4 s VAL 5 Ca -0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1dq4 s VAL 5 Cb -0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1dq4 s VAL 5 CO 0.08 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.74 1dq4 s ALA 6 N 1.19 0.54 -0.38 5.51 0.00 -0.19 -0.64 121.76 127.80 1dq4 s ALA 6 Ca -0.01 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1dq4 s ALA 6 Cb -0.14 0.73 0.12 0.00 0.00 0.00 0.00 23.12 23.83 1dq4 s ALA 6 CO -0.06 -0.50 0.15 0.08 0.00 0.00 0.00 175.76 175.43 1dq4 s VAL 7 N -4.00 1.40 0.26 0.00 1.01 -0.31 -1.00 120.40 117.77 1dq4 s VAL 7 Ca 0.18 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.04 1dq4 s VAL 7 Cb 0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1dq4 s VAL 7 CO -0.02 -0.75 0.47 -1.83 0.00 0.00 0.00 175.10 172.97 1dq4 s GLU 8 N 0.91 3.56 -0.41 2.72 4.04 -0.18 -1.91 118.70 127.42 1dq4 s GLU 8 Ca 0.13 -0.21 0.02 0.00 0.04 0.00 0.00 54.97 54.95 1dq4 s GLU 8 Cb -0.21 -2.74 0.13 0.00 0.02 0.00 0.00 34.13 31.33 1dq4 s GLU 8 CO -0.11 0.29 0.20 -0.51 -1.84 0.00 0.00 175.26 173.29 1dq4 s LEU 9 N -3.56 2.85 0.16 1.83 1.43 0.31 -0.74 118.68 120.97 1dq4 s LEU 9 Ca 0.41 -2.44 0.11 0.00 -1.03 0.00 0.00 54.13 51.18 1dq4 s LEU 9 Cb -0.11 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1dq4 s LEU 9 CO 0.30 -0.30 -0.25 1.51 0.23 0.00 0.00 176.35 177.85 1dq4 s ASP 10 N 0.58 3.29 -0.14 2.29 -4.77 -1.06 -1.74 116.67 115.12 1dq4 s ASP 10 Ca 0.16 -0.82 0.18 0.00 -3.30 0.00 0.00 52.55 48.77 1dq4 s ASP 10 Cb -0.23 -0.23 0.34 0.00 -1.09 0.00 0.00 42.92 41.71 1dq4 s ASP 10 CO -0.05 0.13 1.21 0.35 0.70 0.00 0.00 175.17 177.51 1dq4 n THR 11 N 0.54 1.97 -2.60 2.11 -2.24 0.30 -2.49 114.28 111.88 1dq4 n THR 11 Ca -0.15 -2.17 -0.37 0.00 -2.27 0.00 0.00 64.05 59.09 1dq4 n THR 11 Cb 0.55 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1dq4 n THR 11 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1dq4 s TYR 12 N -2.85 3.41 -0.10 4.78 2.02 -1.25 -4.46 117.35 118.90 1dq4 s TYR 12 Ca 0.34 1.69 -0.23 0.00 -0.37 0.00 0.00 57.07 58.50 1dq4 s TYR 12 Cb 0.29 -3.09 -0.19 0.00 -0.40 0.00 0.00 41.96 38.57 1dq4 s TYR 12 CO 0.04 -0.40 0.76 -1.35 -1.57 0.00 0.00 175.55 173.03 1dq4 h PRO 13 N 2.83 -0.05 0.00 -1.71 0.11 -1.97 -3.45 132.00 127.76 1dq4 h PRO 13 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dq4 h PRO 13 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1dq4 h PRO 13 CO 0.64 0.61 0.00 0.09 -0.21 0.00 0.00 178.00 179.13 1dq4 n ASN 14 N -4.74 0.00 -3.24 -2.05 4.13 -1.26 -4.80 115.26 103.30 1dq4 n ASN 14 Ca -0.08 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.89 1dq4 n ASN 14 Cb 0.33 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.60 1dq4 n ASN 14 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1dq4 n PRO 20 N -0.13 0.00 -0.39 3.52 -0.04 -1.26 -5.12 135.00 131.58 1dq4 n PRO 20 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1dq4 n PRO 20 Cb 0.00 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1dq4 n PRO 20 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1dq4 n SER 21 N 2.70 4.45 -3.58 3.54 7.64 -1.26 -4.83 113.62 122.28 1dq4 n SER 21 Ca -0.00 -2.18 -0.08 0.00 1.01 0.00 0.00 58.87 57.62 1dq4 n SER 21 Cb 0.44 -0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 1dq4 n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1dq4 s TYR 22 N 0.25 -0.33 0.34 1.43 -0.85 -1.26 -5.09 117.35 111.84 1dq4 s TYR 22 Ca 0.00 0.10 -0.29 0.00 -0.52 0.00 0.00 57.07 56.37 1dq4 s TYR 22 Cb 0.00 0.59 -0.11 0.00 0.38 0.00 0.00 41.96 42.82 1dq4 s TYR 22 CO 0.00 -0.77 1.43 -2.14 -1.52 0.00 0.00 175.55 172.55 1dq4 s PRO 23 N -3.43 4.21 0.26 -3.49 0.02 -1.26 -4.89 135.00 126.42 1dq4 s PRO 23 Ca 0.06 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.38 1dq4 s PRO 23 Cb -0.02 -3.02 -0.00 0.00 0.02 0.00 0.00 34.50 31.48 1dq4 s PRO 23 CO -0.06 -0.42 0.50 -3.38 -0.33 0.00 0.00 177.00 173.32 1dq4 s HIS 24 N -0.88 0.39 -0.11 6.54 -3.43 -1.04 -1.26 115.29 115.51 1dq4 s HIS 24 Ca 0.53 -0.75 0.03 0.00 -0.80 0.00 0.00 55.06 54.07 1dq4 s HIS 24 Cb -0.44 0.22 -0.00 0.00 -1.43 0.00 0.00 32.58 30.92 1dq4 s HIS 24 CO 0.56 -1.04 -0.21 -1.50 -2.00 0.00 0.00 174.74 170.55 1dq4 s ILE 25 N -3.87 2.36 0.05 -5.38 2.07 -0.42 -2.58 121.20 113.44 1dq4 s ILE 25 Ca 0.22 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 1dq4 s ILE 25 Cb -0.01 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.61 1dq4 s ILE 25 CO 0.10 0.55 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.81 1dq4 s GLY 26 N 0.35 0.49 -0.32 1.50 0.00 0.09 -1.66 107.32 107.77 1dq4 s GLY 26 Ca -0.16 -1.06 -0.09 0.00 0.00 0.00 0.00 44.72 43.40 1dq4 s GLY 26 CO 0.08 -1.16 0.15 -0.42 0.00 0.00 0.00 173.10 171.75 1dq4 s ILE 27 N -3.08 4.49 -0.23 0.90 1.01 -0.39 -1.01 121.20 122.89 1dq4 s ILE 27 Ca 0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1dq4 s ILE 27 Cb 0.02 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1dq4 s ILE 27 CO -0.06 0.03 0.05 -1.81 0.00 0.00 0.00 174.94 173.15 1dq4 s ASP 28 N 1.59 5.11 -0.56 3.58 1.01 -0.17 -0.60 116.67 126.62 1dq4 s ASP 28 Ca 0.04 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 1dq4 s ASP 28 Cb -0.17 -1.90 0.15 0.00 1.01 0.00 0.00 42.92 42.00 1dq4 s ASP 28 CO 0.06 0.02 0.38 -0.63 0.21 0.00 0.00 175.17 175.21 1dq4 s ILE 29 N 1.29 3.74 0.00 0.77 -1.09 -1.26 -1.03 121.20 123.62 1dq4 s ILE 29 Ca 0.05 -2.58 0.00 0.00 -2.23 0.00 0.00 60.65 55.88 1dq4 s ILE 29 Cb -0.15 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1dq4 s ILE 29 CO 0.03 -0.83 0.00 0.29 -1.23 0.00 0.00 174.94 173.20 1dq4 n LYS 30 N 3.94 -0.40 -3.89 2.79 5.02 0.25 -4.94 118.16 120.93 1dq4 n LYS 30 Ca 0.04 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.32 1dq4 n LYS 30 Cb 0.39 -4.02 -0.13 0.00 -0.02 0.00 0.00 35.03 31.26 1dq4 n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dq4 s SER 31 N -2.22 0.04 0.55 4.39 0.15 -1.26 -4.86 113.70 110.48 1dq4 s SER 31 Ca 0.00 -0.10 0.33 0.00 0.70 0.00 0.00 55.95 56.89 1dq4 s SER 31 Cb 0.00 0.09 1.48 0.00 -1.71 0.00 0.00 66.02 65.88 1dq4 s SER 31 CO 0.00 -0.11 2.03 1.62 1.20 0.00 0.00 173.24 177.98 1dq4 h VAL 32 N 4.92 0.15 -1.81 4.45 3.04 -1.87 -3.38 116.25 121.74 1dq4 h VAL 32 Ca -0.27 -0.52 -0.58 0.00 -1.01 0.00 0.00 66.70 64.32 1dq4 h VAL 32 Cb 1.21 1.45 -0.10 0.00 -2.01 0.00 0.00 31.29 31.84 1dq4 h VAL 32 CO 0.46 0.05 1.21 -0.13 -1.01 0.00 0.00 177.57 178.15 1dq4 s ARG 33 N -3.80 3.39 0.29 4.17 0.52 -1.26 -4.96 118.95 117.30 1dq4 s ARG 33 Ca -0.00 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.18 1dq4 s ARG 33 Cb 0.10 -4.76 -0.15 0.00 0.52 0.00 0.00 34.95 30.66 1dq4 s ARG 33 CO 0.54 -2.13 0.54 0.43 0.02 0.00 0.00 175.30 174.69 1dq4 n SER 34 N 8.89 -1.01 0.15 0.23 7.64 -1.26 -4.81 113.62 123.45 1dq4 n SER 34 Ca 0.17 1.04 0.12 0.00 1.01 0.00 0.00 58.87 61.22 1dq4 n SER 34 Cb 0.50 -1.03 0.16 0.00 -1.01 0.00 0.00 64.21 62.83 1dq4 n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1dq4 h LYS 35 N 1.02 0.00 -1.73 1.43 1.79 -1.19 -3.46 116.57 114.43 1dq4 h LYS 35 Ca -0.34 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.18 1dq4 h LYS 35 Cb 1.42 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.82 1dq4 h LYS 35 CO 0.55 0.00 0.31 0.21 -1.08 0.00 0.00 179.45 179.44 1dq4 s LYS 36 N -3.23 0.58 0.35 3.15 2.47 -1.24 -5.02 119.74 116.80 1dq4 s LYS 36 Ca 0.05 0.79 0.04 0.00 -1.56 0.00 0.00 55.97 55.29 1dq4 s LYS 36 Cb 0.08 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 1dq4 s LYS 36 CO 0.70 -0.09 0.16 0.95 0.16 0.00 0.00 175.35 177.23 1dq4 s THR 37 N 0.68 0.45 -0.11 3.43 -4.23 -1.26 -1.26 115.64 113.33 1dq4 s THR 37 Ca -0.02 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 1dq4 s THR 37 Cb -0.05 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.40 1dq4 s THR 37 CO -0.08 0.00 0.64 0.00 -0.54 0.00 0.00 174.62 174.63 1dq4 s ALA 38 N -3.40 -1.63 0.16 3.99 0.00 -0.66 -4.97 121.76 115.25 1dq4 s ALA 38 Ca 0.31 1.40 -0.32 0.00 0.00 0.00 0.00 51.96 53.35 1dq4 s ALA 38 Cb 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 1dq4 s ALA 38 CO 0.17 -0.34 1.65 0.21 0.00 0.00 0.00 175.76 177.45 1dq4 s LYS 39 N -0.70 4.18 -0.12 0.00 2.20 -1.26 -1.30 119.74 122.73 1dq4 s LYS 39 Ca -0.08 2.45 0.03 0.00 -0.36 0.00 0.00 55.97 58.01 1dq4 s LYS 39 Cb -0.02 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1dq4 s LYS 39 CO 0.06 -0.69 -0.20 -0.46 -0.36 0.00 0.00 175.35 173.71 1dq4 s TRP 40 N 1.48 2.37 -1.20 4.03 -0.00 -0.39 -4.70 118.94 120.54 1dq4 s TRP 40 Ca 0.73 -1.10 -0.11 0.00 -0.00 0.00 0.00 56.10 55.62 1dq4 s TRP 40 Cb -0.45 -1.63 0.20 0.00 -0.00 0.00 0.00 33.47 31.59 1dq4 s TRP 40 CO 0.32 -0.50 1.50 0.09 -0.00 0.00 0.00 176.95 178.36 1dq4 n ASN 41 N 3.93 5.36 -4.47 5.86 4.13 -1.26 -4.33 115.26 124.48 1dq4 n ASN 41 Ca -0.20 -3.07 -0.52 0.00 1.68 0.00 0.00 54.58 52.48 1dq4 n ASN 41 Cb 0.52 -1.49 -0.07 0.00 -1.54 0.00 0.00 39.78 37.20 1dq4 n ASN 41 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1dq4 n MET 42 N 4.25 1.08 -3.33 3.52 1.56 -1.26 -4.92 117.12 118.03 1dq4 n MET 42 Ca 0.34 0.31 -0.45 0.00 -0.27 0.00 0.00 57.70 57.63 1dq4 n MET 42 Cb 0.39 -2.39 -0.06 0.00 2.15 0.00 0.00 33.22 33.31 1dq4 n MET 42 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1dq4 s GLN 43 N 5.89 3.00 0.23 2.12 -0.21 -1.26 -5.05 119.66 124.38 1dq4 s GLN 43 Ca 1.08 -1.45 -0.32 0.00 0.02 0.00 0.00 55.36 54.70 1dq4 s GLN 43 Cb -0.90 -4.20 -0.12 0.00 1.00 0.00 0.00 33.01 28.79 1dq4 s GLN 43 CO 0.51 -1.19 1.68 -1.71 -2.12 0.00 0.00 175.29 172.47 1dq4 n ASN 44 N 5.36 3.88 0.00 5.90 2.85 -1.26 -2.70 115.26 129.29 1dq4 n ASN 44 Ca -0.12 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.43 1dq4 n ASN 44 Cb 0.42 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.88 1dq4 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1dq4 n GLY 45 N 3.46 2.08 3.79 8.20 0.00 -0.47 -4.99 105.19 117.26 1dq4 n GLY 45 Ca 0.14 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1dq4 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dq4 s LYS 46 N 0.00 3.61 -0.13 1.61 -0.14 -1.10 -4.85 119.74 118.75 1dq4 s LYS 46 Ca 0.00 1.37 -0.21 0.00 -1.36 0.00 0.00 55.97 55.77 1dq4 s LYS 46 Cb 0.00 -2.06 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 1dq4 s LYS 46 CO 0.00 -0.59 0.60 0.08 -0.76 0.00 0.00 175.35 174.68 1dq4 s VAL 47 N -2.05 5.08 0.34 3.17 1.01 -1.26 -4.35 120.40 122.33 1dq4 s VAL 47 Ca 0.67 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.93 1dq4 s VAL 47 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1dq4 s VAL 47 CO 0.25 0.22 0.17 -0.83 0.00 0.00 0.00 175.10 174.91 1dq4 s GLY 48 N 0.90 1.90 -0.07 4.51 0.00 -0.70 -4.34 107.32 109.52 1dq4 s GLY 48 Ca 0.31 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1dq4 s GLY 48 CO 0.13 -1.72 -0.07 -1.59 0.00 0.00 0.00 173.10 169.85 1dq4 s THR 49 N -2.40 0.85 -0.12 0.90 2.01 -0.13 -1.17 115.64 115.59 1dq4 s THR 49 Ca 0.38 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1dq4 s THR 49 Cb -0.03 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1dq4 s THR 49 CO 0.23 0.31 0.04 0.00 -0.69 0.00 0.00 174.62 174.52 1dq4 s ALA 50 N 1.18 3.42 -0.26 7.40 0.00 -0.33 -1.58 121.76 131.59 1dq4 s ALA 50 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1dq4 s ALA 50 Cb -0.14 -1.69 0.07 0.00 0.00 0.00 0.00 23.12 21.36 1dq4 s ALA 50 CO -0.02 0.48 -0.04 -1.01 0.00 0.00 0.00 175.76 175.17 1dq4 s HIS 51 N -0.55 2.69 -0.13 0.00 3.76 0.17 -2.39 115.29 118.84 1dq4 s HIS 51 Ca 0.10 -2.01 -0.03 0.00 -0.15 0.00 0.00 55.06 52.97 1dq4 s HIS 51 Cb -0.12 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 1dq4 s HIS 51 CO 0.02 -0.82 -0.04 0.42 -0.85 0.00 0.00 174.74 173.47 1dq4 s ILE 52 N 1.29 3.88 0.04 0.60 1.01 -0.24 -1.17 121.20 126.61 1dq4 s ILE 52 Ca -0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1dq4 s ILE 52 Cb -0.19 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1dq4 s ILE 52 CO -0.07 0.52 -0.03 0.27 0.00 0.00 0.00 174.94 175.63 1dq4 s ILE 53 N 0.04 0.18 -0.15 2.92 -4.36 0.54 -0.89 121.20 119.49 1dq4 s ILE 53 Ca 0.00 -1.39 -0.29 0.00 -0.26 0.00 0.00 60.65 58.71 1dq4 s ILE 53 Cb -0.13 -0.94 0.09 0.00 1.25 0.00 0.00 42.46 42.73 1dq4 s ILE 53 CO 0.03 -0.76 0.81 -0.47 0.24 0.00 0.00 174.94 174.78 1dq4 s TYR 54 N -2.76 -0.59 -0.13 1.37 5.04 -0.78 -1.64 117.35 117.86 1dq4 s TYR 54 Ca -0.04 1.16 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 1dq4 s TYR 54 Cb -0.00 0.39 0.04 0.00 0.35 0.00 0.00 41.96 42.73 1dq4 s TYR 54 CO -0.06 -0.46 0.33 0.54 -1.34 0.00 0.00 175.55 174.57 1dq4 s ASN 55 N -0.71 -0.37 0.61 4.32 2.20 -1.26 -1.32 114.94 118.41 1dq4 s ASN 55 Ca -0.05 0.69 0.31 0.00 -0.94 0.00 0.00 52.86 52.88 1dq4 s ASN 55 Cb -0.02 0.65 1.82 0.00 -2.00 0.00 0.00 41.25 41.71 1dq4 s ASN 55 CO 0.04 -0.14 2.18 0.77 -2.94 0.00 0.00 177.10 177.01 1dq4 h SER 56 N 6.24 0.00 0.23 3.54 4.64 -0.55 -0.89 113.55 126.76 1dq4 h SER 56 Ca -0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1dq4 h SER 56 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1dq4 h SER 56 CO 0.31 0.00 -0.11 0.58 -0.87 0.00 0.00 176.83 176.74 1dq4 h VAL 57 N 0.00 0.84 0.00 0.95 2.07 -1.87 -3.28 116.25 114.95 1dq4 h VAL 57 Ca 0.04 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1dq4 h VAL 57 Cb 0.26 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1dq4 h VAL 57 CO -0.00 0.14 -0.29 0.44 0.02 0.00 0.00 177.57 177.88 1dq4 h ASP 58 N -0.66 0.00 -6.67 0.57 3.32 -1.92 -3.47 116.42 107.59 1dq4 h ASP 58 Ca -0.03 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.48 1dq4 h ASP 58 Cb 0.47 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.93 1dq4 h ASP 58 CO 0.05 0.29 -0.92 0.29 -1.72 0.00 0.00 179.24 177.23 1dq4 n LYS 59 N -3.21 -2.35 -3.69 3.56 5.02 -0.36 -4.87 118.16 112.26 1dq4 n LYS 59 Ca 0.02 0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 56.37 1dq4 n LYS 59 Cb 0.61 -4.13 -0.17 0.00 -0.02 0.00 0.00 35.03 31.31 1dq4 n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dq4 s ARG 60 N -6.80 0.31 -0.04 1.97 6.06 -1.26 -0.77 118.95 118.43 1dq4 s ARG 60 Ca 0.05 -0.05 -0.22 0.00 -2.50 0.00 0.00 55.73 53.01 1dq4 s ARG 60 Cb -0.02 -1.49 -0.04 0.00 0.06 0.00 0.00 34.95 33.45 1dq4 s ARG 60 CO 0.92 -0.52 0.66 -1.17 -2.50 0.00 0.00 175.30 172.69 1dq4 s LEU 61 N 2.03 4.36 0.01 -0.88 2.96 -0.08 -4.37 118.68 122.70 1dq4 s LEU 61 Ca 0.02 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 1dq4 s LEU 61 Cb -0.15 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1dq4 s LEU 61 CO -0.07 -0.03 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.47 1dq4 s SER 62 N 0.39 0.31 0.09 3.68 0.01 -0.65 0.14 113.70 117.68 1dq4 s SER 62 Ca 0.35 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.50 1dq4 s SER 62 Cb -0.18 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 1dq4 s SER 62 CO 0.18 -0.04 -0.10 0.00 0.41 0.00 0.00 173.24 173.69 1dq4 s ALA 63 N -0.37 1.10 -0.13 1.44 0.00 -0.42 -0.34 121.76 123.04 1dq4 s ALA 63 Ca -0.02 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1dq4 s ALA 63 Cb -0.03 0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.17 1dq4 s ALA 63 CO -0.00 -0.02 0.28 0.08 0.00 0.00 0.00 175.76 176.11 1dq4 s VAL 64 N -2.27 -0.35 -0.12 0.00 1.01 -0.32 -1.71 120.40 116.65 1dq4 s VAL 64 Ca 0.04 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1dq4 s VAL 64 Cb -0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1dq4 s VAL 64 CO 0.00 0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.40 1dq4 s VAL 65 N 2.16 3.25 0.06 2.92 1.01 0.53 -0.65 120.40 129.68 1dq4 s VAL 65 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1dq4 s VAL 65 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1dq4 s VAL 65 CO -0.09 0.53 -0.01 -0.94 0.00 0.00 0.00 175.10 174.59 1dq4 s SER 66 N 0.14 0.44 0.16 3.32 1.04 -0.61 -1.17 113.70 117.02 1dq4 s SER 66 Ca -0.06 -1.01 0.08 0.00 0.48 0.00 0.00 55.95 55.44 1dq4 s SER 66 Cb -0.15 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1dq4 s SER 66 CO 0.04 -0.63 -0.16 -0.31 0.98 0.00 0.00 173.24 173.16 1dq4 s TYR 67 N -3.93 1.69 0.34 5.02 2.02 -1.22 -0.95 117.35 120.32 1dq4 s TYR 67 Ca 0.09 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 55.99 1dq4 s TYR 67 Cb 0.08 -0.84 -0.10 0.00 -0.40 0.00 0.00 41.96 40.69 1dq4 s TYR 67 CO -0.08 0.29 1.35 -2.14 -1.57 0.00 0.00 175.55 173.40 1dq4 s PRO 68 N -2.92 4.29 -1.66 -1.71 0.02 -1.26 -1.84 135.00 129.92 1dq4 s PRO 68 Ca 0.15 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1dq4 s PRO 68 Cb -0.05 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1dq4 s PRO 68 CO 0.06 -0.28 0.00 -1.71 -0.33 0.00 0.00 177.00 174.74 1dq4 n ASN 69 N 0.73 -5.42 0.00 2.53 5.15 -1.26 -4.90 115.26 112.09 1dq4 n ASN 69 Ca 0.00 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 1dq4 n ASN 69 Cb 0.41 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.25 1dq4 n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dq4 n ALA 70 N 1.22 0.00 -1.94 5.20 0.00 -0.77 -5.16 120.51 119.07 1dq4 n ALA 70 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1dq4 n ALA 70 Cb 0.62 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.27 1dq4 n ALA 70 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1dq4 s ASP 71 N 0.88 2.98 -0.26 0.00 -4.77 -1.26 -4.83 116.67 109.41 1dq4 s ASP 71 Ca 0.00 0.13 -0.03 0.00 -3.30 0.00 0.00 52.55 49.35 1dq4 s ASP 71 Cb 0.00 -0.12 0.15 0.00 -1.09 0.00 0.00 42.92 41.86 1dq4 s ASP 71 CO 0.00 -2.80 0.47 -0.44 0.70 0.00 0.00 175.17 173.09 1dq4 s SER 72 N -4.93 -0.40 -0.13 2.11 0.01 -1.26 -3.44 113.70 105.65 1dq4 s SER 72 Ca 0.75 0.59 -0.19 0.00 1.31 0.00 0.00 55.95 58.41 1dq4 s SER 72 Cb -0.03 1.54 -0.04 0.00 0.21 0.00 0.00 66.02 67.70 1dq4 s SER 72 CO 0.53 -0.27 0.54 0.00 0.41 0.00 0.00 173.24 174.45 1dq4 s ALA 73 N 2.67 3.47 0.03 1.44 0.00 -0.32 -4.89 121.76 124.16 1dq4 s ALA 73 Ca 0.13 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1dq4 s ALA 73 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1dq4 s ALA 73 CO -0.17 -0.16 -0.18 0.95 0.00 0.00 0.00 175.76 176.20 1dq4 s THR 74 N 0.99 1.44 -0.11 0.00 -4.23 -1.26 -0.35 115.64 112.11 1dq4 s THR 74 Ca 0.28 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 1dq4 s THR 74 Cb -0.16 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.48 1dq4 s THR 74 CO 0.11 0.19 0.25 0.54 -0.54 0.00 0.00 174.62 175.17 1dq4 s VAL 75 N -0.73 -0.18 0.27 2.29 0.11 -0.69 -4.81 120.40 116.67 1dq4 s VAL 75 Ca 0.06 0.20 0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1dq4 s VAL 75 Cb -0.08 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1dq4 s VAL 75 CO 0.01 0.08 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.26 1dq4 s SER 76 N 1.70 3.77 -0.29 3.54 0.01 -1.26 -1.29 113.70 119.88 1dq4 s SER 76 Ca -0.05 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.19 1dq4 s SER 76 Cb -0.11 -0.40 0.15 0.00 0.21 0.00 0.00 66.02 65.86 1dq4 s SER 76 CO -0.09 0.04 0.60 -0.47 0.41 0.00 0.00 173.24 173.73 1dq4 s TYR 77 N -2.45 -1.36 -0.23 2.43 5.04 0.12 -4.94 117.35 115.96 1dq4 s TYR 77 Ca 0.30 2.00 -0.29 0.00 -2.44 0.00 0.00 57.07 56.64 1dq4 s TYR 77 Cb -0.05 0.65 -0.03 0.00 0.35 0.00 0.00 41.96 42.88 1dq4 s TYR 77 CO 0.16 -0.72 1.79 -0.51 -1.34 0.00 0.00 175.55 174.92 1dq4 s ASP 78 N 2.85 6.10 -0.18 4.32 1.01 -1.26 -0.91 116.67 128.60 1dq4 s ASP 78 Ca 0.04 1.65 -0.16 0.00 0.71 0.00 0.00 52.55 54.79 1dq4 s ASP 78 Cb -0.13 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1dq4 s ASP 78 CO -0.19 -1.48 0.48 0.54 0.21 0.00 0.00 175.17 174.73 1dq4 s VAL 79 N 6.09 -0.00 -0.54 -1.27 0.11 0.05 -4.95 120.40 119.89 1dq4 s VAL 79 Ca 0.80 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.69 1dq4 s VAL 79 Cb -0.27 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.03 1dq4 s VAL 79 CO 0.33 0.00 0.51 -0.62 -3.33 0.00 0.00 175.10 171.99 1dq4 s ASP 80 N 0.41 6.19 0.32 3.54 2.15 -1.26 -4.13 116.67 123.89 1dq4 s ASP 80 Ca -0.01 -1.75 0.22 0.00 0.43 0.00 0.00 52.55 51.44 1dq4 s ASP 80 Cb -0.04 -2.21 1.16 0.00 -0.30 0.00 0.00 42.92 41.53 1dq4 s ASP 80 CO -0.01 -0.87 1.68 0.18 -0.17 0.00 0.00 175.17 175.99 1dq4 n LEU 81 N 5.31 0.60 0.23 -1.34 4.77 -1.26 -1.65 117.00 123.66 1dq4 n LEU 81 Ca -0.14 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 56.66 1dq4 n LEU 81 Cb 0.40 -0.80 0.54 0.00 -2.33 0.00 0.00 43.42 41.24 1dq4 n LEU 81 CO 0.54 -0.90 0.90 0.44 -1.33 0.00 0.00 177.39 177.04 1dq4 h ASP 82 N 0.00 0.00 0.82 -1.43 5.19 -1.91 0.21 116.42 119.30 1dq4 h ASP 82 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1dq4 h ASP 82 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1dq4 h ASP 82 CO 0.00 0.19 -1.20 0.59 -3.12 0.00 0.00 179.24 175.70 1dq4 n ASN 83 N -4.13 0.74 -0.11 6.45 3.02 -0.66 -4.58 115.26 116.01 1dq4 n ASN 83 Ca -0.02 0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.64 1dq4 n ASN 83 Cb 0.26 0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 39.95 1dq4 n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1dq4 n VAL 84 N -2.66 1.50 -3.20 2.41 0.31 -0.90 -5.02 118.33 110.77 1dq4 n VAL 84 Ca -0.02 -0.06 -0.28 0.00 -0.01 0.00 0.00 64.34 63.97 1dq4 n VAL 84 Cb 0.60 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1dq4 n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1dq4 s LEU 85 N -7.83 3.97 0.91 7.52 1.43 0.69 -5.00 118.68 120.38 1dq4 s LEU 85 Ca -0.30 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 1dq4 s LEU 85 Cb 0.08 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.82 1dq4 s LEU 85 CO 0.45 -0.28 1.13 -2.16 0.23 0.00 0.00 176.35 175.73 1dq4 s PRO 86 N -3.81 1.14 0.15 1.29 0.04 -1.26 -4.73 135.00 127.82 1dq4 s PRO 86 Ca 0.45 0.31 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 1dq4 s PRO 86 Cb -0.10 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1dq4 s PRO 86 CO 0.32 -2.20 1.71 1.49 0.04 0.00 0.00 177.00 178.37 1dq4 h GLU 87 N -1.50 0.70 -5.13 4.56 4.81 -1.94 -3.41 114.58 112.67 1dq4 h GLU 87 Ca -0.51 -0.12 -0.64 0.00 -0.13 0.00 0.00 59.36 57.97 1dq4 h GLU 87 Cb 1.33 -0.12 -0.21 0.00 0.63 0.00 0.00 28.75 30.38 1dq4 h GLU 87 CO 0.62 0.61 -0.63 -1.58 -0.73 0.00 0.00 179.01 177.30 1dq4 s TRP 88 N -5.62 3.09 0.25 0.92 0.52 -1.26 -2.31 118.94 114.53 1dq4 s TRP 88 Ca -0.13 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.70 1dq4 s TRP 88 Cb 0.11 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 1dq4 s TRP 88 CO 0.76 -0.17 0.10 1.33 0.02 0.00 0.00 176.95 179.00 1dq4 n VAL 89 N 4.21 0.00 -3.91 4.03 0.24 0.36 -4.13 118.33 119.13 1dq4 n VAL 89 Ca -0.17 -1.49 -0.14 0.00 -2.04 0.00 0.00 64.34 60.50 1dq4 n VAL 89 Cb 0.52 0.56 -0.15 0.00 -1.47 0.00 0.00 33.84 33.31 1dq4 n VAL 89 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1dq4 s ARG 90 N -2.96 0.10 0.20 7.34 3.52 -0.13 0.12 118.95 127.14 1dq4 s ARG 90 Ca 0.14 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 1dq4 s ARG 90 Cb 0.01 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.19 1dq4 s ARG 90 CO 0.10 -0.03 0.27 0.14 -0.81 0.00 0.00 175.30 174.97 1dq4 s VAL 91 N 0.30 5.03 0.08 7.11 -7.23 -1.26 -1.63 120.40 122.80 1dq4 s VAL 91 Ca -0.03 -0.96 -0.18 0.00 -1.81 0.00 0.00 61.98 59.00 1dq4 s VAL 91 Cb -0.04 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.31 1dq4 s VAL 91 CO -0.01 -0.21 0.86 0.61 -0.31 0.00 0.00 175.10 176.04 1dq4 n GLY 92 N -0.88 0.59 3.19 2.32 0.00 -0.40 -1.55 105.19 108.46 1dq4 n GLY 92 Ca -0.08 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 1dq4 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dq4 s LEU 93 N 0.00 2.06 0.19 0.99 1.43 -0.79 -1.22 118.68 121.33 1dq4 s LEU 93 Ca 0.20 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1dq4 s LEU 93 Cb -0.02 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1dq4 s LEU 93 CO 0.02 0.22 -0.09 -0.55 0.23 0.00 0.00 176.35 176.18 1dq4 s SER 94 N -0.55 2.05 -0.12 2.29 0.15 0.03 -1.65 113.70 115.89 1dq4 s SER 94 Ca 0.07 -1.07 -0.30 0.00 0.70 0.00 0.00 55.95 55.36 1dq4 s SER 94 Cb -0.07 -0.05 0.09 0.00 -1.71 0.00 0.00 66.02 64.28 1dq4 s SER 94 CO -0.00 -0.33 0.80 0.00 1.20 0.00 0.00 173.24 174.91 1dq4 s ALA 95 N -3.24 -1.83 -0.09 5.45 0.00 -0.75 -1.72 121.76 119.58 1dq4 s ALA 95 Ca 0.21 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 1dq4 s ALA 95 Cb 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1dq4 s ALA 95 CO 0.04 -0.34 0.26 -1.54 0.00 0.00 0.00 175.76 174.19 1dq4 s SER 96 N -0.90 -0.25 0.12 0.00 1.04 -0.68 -1.48 113.70 111.55 1dq4 s SER 96 Ca -0.06 0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.89 1dq4 s SER 96 Cb -0.01 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1dq4 s SER 96 CO 0.05 -0.15 -0.09 0.42 0.98 0.00 0.00 173.24 174.46 1dq4 s THR 97 N -0.10 3.35 0.00 2.02 -4.23 -0.11 -2.58 115.64 114.00 1dq4 s THR 97 Ca -0.02 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1dq4 s THR 97 Cb -0.03 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1dq4 s THR 97 CO 0.01 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1dq4 n GLY 98 N 0.52 0.99 0.21 3.99 0.00 -0.96 -3.59 105.19 106.34 1dq4 n GLY 98 Ca -0.13 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.36 1dq4 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dq4 n LEU 99 N 0.00 0.63 -4.92 0.99 7.99 -1.26 -0.90 117.00 119.53 1dq4 n LEU 99 Ca 0.00 -0.27 -0.28 0.00 -0.01 0.00 0.00 56.01 55.45 1dq4 n LEU 99 Cb 0.00 -0.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.23 1dq4 n LEU 99 CO 0.00 0.13 -0.01 -0.31 -1.51 0.00 0.00 177.39 175.69 1dq4 s TYR 100 N -1.91 3.49 -0.28 -1.77 1.51 -1.26 -4.87 117.35 112.26 1dq4 s TYR 100 Ca 0.27 0.34 -0.24 0.00 -1.01 0.00 0.00 57.07 56.43 1dq4 s TYR 100 Cb 0.13 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1dq4 s TYR 100 CO 0.21 0.44 0.82 0.21 -1.11 0.00 0.00 175.55 176.12 1dq4 s LYS 101 N -3.07 4.07 0.04 -0.62 2.20 -1.26 -3.38 119.74 117.71 1dq4 s LYS 101 Ca 0.38 0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 56.49 1dq4 s LYS 101 Cb -0.11 -3.69 0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1dq4 s LYS 101 CO 0.28 -0.62 0.94 -1.83 -0.36 0.00 0.00 175.35 173.75 1dq4 s GLU 102 N 2.95 0.91 0.16 4.03 -1.05 -1.26 -3.81 118.70 120.63 1dq4 s GLU 102 Ca 0.34 -0.41 0.10 0.00 -0.15 0.00 0.00 54.97 54.85 1dq4 s GLU 102 Cb -0.14 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 1dq4 s GLU 102 CO 0.10 -0.41 -0.21 0.95 0.95 0.00 0.00 175.26 176.64 1dq4 s THR 103 N -3.12 2.00 -0.56 1.83 -4.23 -0.63 -1.50 115.64 109.42 1dq4 s THR 103 Ca 0.08 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1dq4 s THR 103 Cb -0.01 -1.88 0.17 0.00 1.34 0.00 0.00 72.50 72.12 1dq4 s THR 103 CO -0.05 -0.17 0.41 0.20 -0.54 0.00 0.00 174.62 174.48 1dq4 s ASN 104 N -2.46 3.25 -0.25 3.99 -0.87 -1.26 -3.38 114.94 113.96 1dq4 s ASN 104 Ca 0.15 -3.45 -0.14 0.00 -1.57 0.00 0.00 52.86 47.85 1dq4 s ASN 104 Cb -0.08 -1.07 -0.04 0.00 -0.02 0.00 0.00 41.25 40.04 1dq4 s ASN 104 CO 0.07 -0.13 0.33 -0.89 -2.57 0.00 0.00 177.10 173.91 1dq4 s THR 105 N -0.70 5.22 -0.34 1.60 2.01 -1.08 -1.54 115.64 120.80 1dq4 s THR 105 Ca 0.28 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.63 1dq4 s THR 105 Cb -0.02 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1dq4 s THR 105 CO -0.17 0.22 0.39 -0.63 -0.69 0.00 0.00 174.62 173.73 1dq4 s ILE 106 N 1.69 5.14 0.06 1.82 -1.09 0.49 -1.72 121.20 127.60 1dq4 s ILE 106 Ca 0.14 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1dq4 s ILE 106 Cb -0.15 -3.85 -0.23 0.00 -1.58 0.00 0.00 42.46 36.65 1dq4 s ILE 106 CO 0.09 -0.11 1.05 -0.07 -1.23 0.00 0.00 174.94 174.66 1dq4 h LEU 107 N 8.80 0.10 -7.29 2.97 4.07 -0.93 -2.04 115.31 120.99 1dq4 h LEU 107 Ca -0.29 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.49 1dq4 h LEU 107 Cb 1.14 -0.03 -0.14 0.00 1.08 0.00 0.00 40.66 42.71 1dq4 h LEU 107 CO 0.71 1.10 -0.00 -0.94 -1.08 0.00 0.00 178.44 178.22 1dq4 s SER 108 N -6.63 -0.34 -0.28 -0.43 1.04 -1.23 -4.49 113.70 101.34 1dq4 s SER 108 Ca -0.02 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 1dq4 s SER 108 Cb 0.09 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.79 1dq4 s SER 108 CO 0.83 -0.83 0.69 0.86 0.98 0.00 0.00 173.24 175.77 1dq4 s TRP 109 N -3.44 -1.09 0.02 5.02 -0.00 -0.35 -2.67 118.94 116.43 1dq4 s TRP 109 Ca 0.00 2.14 -0.01 0.00 -0.00 0.00 0.00 56.10 58.24 1dq4 s TRP 109 Cb 0.01 0.65 -0.02 0.00 -0.00 0.00 0.00 33.47 34.11 1dq4 s TRP 109 CO -0.10 -0.54 -0.01 -1.54 -0.00 0.00 0.00 176.95 174.76 1dq4 s SER 110 N 1.80 0.21 0.02 5.86 1.04 -0.62 0.30 113.70 122.30 1dq4 s SER 110 Ca -0.09 -0.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.87 1dq4 s SER 110 Cb -0.06 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1dq4 s SER 110 CO -0.20 -0.29 0.03 0.12 0.98 0.00 0.00 173.24 173.88 1dq4 s PHE 111 N -1.36 0.21 -0.11 5.02 5.36 -0.77 -1.82 117.98 124.51 1dq4 s PHE 111 Ca -0.15 -0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 55.32 1dq4 s PHE 111 Cb -0.09 -0.16 0.05 0.00 -0.34 0.00 0.00 43.02 42.48 1dq4 s PHE 111 CO -0.01 -0.25 0.23 0.99 -1.46 0.00 0.00 175.22 174.73 1dq4 s THR 112 N -1.71 -0.22 -0.02 0.12 2.01 -0.51 -2.31 115.64 113.00 1dq4 s THR 112 Ca -0.13 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.16 1dq4 s THR 112 Cb -0.07 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1dq4 s THR 112 CO -0.01 0.10 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.27 1dq4 s SER 113 N 1.84 2.31 -0.02 3.53 0.15 -0.72 -1.20 113.70 119.60 1dq4 s SER 113 Ca -0.04 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1dq4 s SER 113 Cb -0.11 -0.34 0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1dq4 s SER 113 CO -0.08 0.23 0.03 -0.54 1.20 0.00 0.00 173.24 174.07 1dq4 s LYS 114 N -0.36 -0.01 -0.26 5.44 1.02 -0.10 -2.10 119.74 123.38 1dq4 s LYS 114 Ca 0.05 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.21 1dq4 s LYS 114 Cb -0.09 -0.26 0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1dq4 s LYS 114 CO -0.00 -0.16 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.69 1dq4 s LEU 115 N 1.01 3.32 -0.26 3.17 1.43 0.14 -1.83 118.68 125.66 1dq4 s LEU 115 Ca -0.09 -1.10 -0.07 0.00 -1.03 0.00 0.00 54.13 51.84 1dq4 s LEU 115 Cb -0.12 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1dq4 s LEU 115 CO -0.03 -0.16 0.07 -0.54 0.23 0.00 0.00 176.35 175.91 1dq4 s LYS 116 N 1.24 3.45 0.78 1.70 1.02 -0.57 -1.15 119.74 126.20 1dq4 s LYS 116 Ca -0.03 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.25 1dq4 s LYS 116 Cb -0.18 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 33.89 1dq4 s LYS 116 CO -0.05 -0.27 1.12 -1.12 -0.92 0.00 0.00 175.35 174.11 1dq4 s SER 117 N 1.57 4.52 0.48 2.83 0.01 -1.06 -0.23 113.70 121.82 1dq4 s SER 117 Ca 0.05 0.57 0.26 0.00 1.31 0.00 0.00 55.95 58.14 1dq4 s SER 117 Cb -0.16 -1.09 1.19 0.00 0.21 0.00 0.00 66.02 66.17 1dq4 s SER 117 CO 0.03 -1.84 1.95 -0.55 0.41 0.00 0.00 173.24 173.23 1dq4 h ASN 118 N -0.90 0.00 -3.83 2.44 -0.00 -1.92 -3.41 115.58 107.96 1dq4 h ASN 118 Ca -0.45 0.00 -0.44 0.00 -0.00 0.00 0.00 56.30 55.41 1dq4 h ASN 118 Cb 1.31 0.00 0.18 0.00 -0.00 0.00 0.00 38.32 39.81 1dq4 h ASN 118 CO 0.61 0.17 0.38 -0.94 -0.00 0.00 0.00 177.43 177.65 1dq4 s SER 119 N -6.14 2.47 0.03 6.14 1.04 -1.26 -5.04 113.70 110.94 1dq4 s SER 119 Ca -0.01 0.23 -0.26 0.00 0.48 0.00 0.00 55.95 56.39 1dq4 s SER 119 Cb 0.11 -0.22 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 1dq4 s SER 119 CO 0.61 -3.13 0.81 -0.89 0.98 0.00 0.00 173.24 171.62 1dq4 s THR 120 N -3.79 4.78 -1.48 2.02 2.01 -1.26 -4.07 115.64 113.85 1dq4 s THR 120 Ca 0.76 1.72 -0.12 0.00 0.31 0.00 0.00 61.69 64.35 1dq4 s THR 120 Cb -0.03 -4.16 0.07 0.00 0.01 0.00 0.00 72.50 68.39 1dq4 s THR 120 CO 0.54 0.31 0.87 1.41 -0.69 0.00 0.00 174.62 177.06 1dq4 n HIS 121 N 3.15 -2.22 -2.42 4.92 8.25 -1.26 -4.92 115.22 120.73 1dq4 n HIS 121 Ca -0.00 0.79 -0.39 0.00 -0.26 0.00 0.00 57.72 57.86 1dq4 n HIS 121 Cb 0.50 -3.94 0.02 0.00 1.12 0.00 0.00 29.99 27.70 1dq4 n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1dq4 n GLU 122 N -4.47 4.29 -3.55 -0.41 -0.58 -1.26 -5.01 120.64 109.65 1dq4 n GLU 122 Ca 0.01 -4.29 -0.37 0.00 -0.42 0.00 0.00 57.16 52.09 1dq4 n GLU 122 Cb 0.54 -2.37 -0.06 0.00 -0.57 0.00 0.00 31.44 28.97 1dq4 n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1dq4 s THR 123 N -4.66 5.20 -0.08 2.62 2.01 -1.26 -2.55 115.64 116.93 1dq4 s THR 123 Ca 0.45 0.66 0.05 0.00 0.31 0.00 0.00 61.69 63.16 1dq4 s THR 123 Cb 0.29 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 1dq4 s THR 123 CO -0.23 0.50 -0.24 0.20 -0.69 0.00 0.00 174.62 174.16 1dq4 s ASN 124 N -0.44 3.12 0.07 3.53 -0.87 -0.30 -4.98 114.94 115.07 1dq4 s ASN 124 Ca 0.20 -0.53 -0.09 0.00 -1.57 0.00 0.00 52.86 50.88 1dq4 s ASN 124 Cb -0.15 -1.14 -0.00 0.00 -0.02 0.00 0.00 41.25 39.94 1dq4 s ASN 124 CO 0.09 0.20 0.19 0.00 -2.57 0.00 0.00 177.10 175.01 1dq4 s ALA 125 N 0.09 -0.26 0.02 0.60 0.00 -1.26 -0.68 121.76 120.26 1dq4 s ALA 125 Ca -0.11 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1dq4 s ALA 125 Cb -0.16 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1dq4 s ALA 125 CO 0.06 -0.47 -0.05 -1.17 0.00 0.00 0.00 175.76 174.13 1dq4 s LEU 126 N -2.64 2.12 -0.30 0.00 2.96 -0.89 -5.00 118.68 114.94 1dq4 s LEU 126 Ca 0.02 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1dq4 s LEU 126 Cb 0.03 -0.17 0.17 0.00 0.50 0.00 0.00 46.19 46.73 1dq4 s LEU 126 CO -0.09 -0.07 0.64 -2.28 -1.32 0.00 0.00 176.35 173.23 1dq4 s HIS 127 N -0.68 -1.47 0.25 5.38 5.65 -1.26 -1.75 115.29 121.40 1dq4 s HIS 127 Ca -0.04 1.85 0.10 0.00 0.25 0.00 0.00 55.06 57.21 1dq4 s HIS 127 Cb -0.05 0.62 -0.04 0.00 -1.18 0.00 0.00 32.58 31.93 1dq4 s HIS 127 CO -0.00 -0.78 -0.04 -0.59 -0.65 0.00 0.00 174.74 172.68 1dq4 s PHE 128 N 2.87 2.65 -0.28 3.88 -0.12 -0.98 -4.98 117.98 121.02 1dq4 s PHE 128 Ca 0.12 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 56.79 1dq4 s PHE 128 Cb -0.14 -1.20 0.17 0.00 -0.63 0.00 0.00 43.02 41.22 1dq4 s PHE 128 CO -0.20 0.60 0.46 1.41 -0.05 0.00 0.00 175.22 177.45 1dq4 s MET 129 N -3.46 0.45 -0.20 1.99 1.75 -1.26 -1.84 119.30 116.73 1dq4 s MET 129 Ca 0.30 0.39 -0.13 0.00 -1.25 0.00 0.00 55.69 55.01 1dq4 s MET 129 Cb -0.07 -0.12 -0.05 0.00 2.84 0.00 0.00 34.83 37.43 1dq4 s MET 129 CO 0.18 -0.92 0.25 -0.06 -0.65 0.00 0.00 175.02 173.83 1dq4 s PHE 130 N 2.64 3.39 0.00 4.11 0.08 0.15 -4.89 117.98 123.46 1dq4 s PHE 130 Ca 0.12 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1dq4 s PHE 130 Cb -0.13 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 1dq4 s PHE 130 CO -0.26 0.14 0.29 0.09 -0.10 0.00 0.00 175.22 175.38 1dq4 n ASN 131 N 3.98 0.58 -3.15 1.36 4.13 -1.26 -1.21 115.26 119.68 1dq4 n ASN 131 Ca -0.13 -0.85 0.05 0.00 1.68 0.00 0.00 54.58 55.33 1dq4 n ASN 131 Cb 0.52 0.18 -0.01 0.00 -1.54 0.00 0.00 39.78 38.93 1dq4 n ASN 131 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1dq4 s GLN 132 N -0.18 0.42 0.23 3.52 0.74 -1.26 -4.86 119.66 118.28 1dq4 s GLN 132 Ca 0.00 0.62 -0.26 0.00 0.05 0.00 0.00 55.36 55.77 1dq4 s GLN 132 Cb 0.00 0.33 -0.09 0.00 1.10 0.00 0.00 33.01 34.35 1dq4 s GLN 132 CO 0.00 -0.59 0.86 -0.06 -0.55 0.00 0.00 175.29 174.95 1dq4 s PHE 133 N 2.89 3.86 0.43 1.67 0.40 -0.46 -4.98 117.98 121.79 1dq4 s PHE 133 Ca 0.14 1.73 0.07 0.00 -0.60 0.00 0.00 56.93 58.28 1dq4 s PHE 133 Cb -0.11 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1dq4 s PHE 133 CO -0.20 0.41 0.28 -1.54 0.70 0.00 0.00 175.22 174.87 1dq4 s SER 134 N -1.32 4.68 0.20 1.36 1.04 -1.26 -3.85 113.70 114.56 1dq4 s SER 134 Ca 0.42 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 1dq4 s SER 134 Cb -0.22 -0.39 0.22 0.00 0.10 0.00 0.00 66.02 65.73 1dq4 s SER 134 CO 0.27 -0.66 1.79 0.50 0.98 0.00 0.00 173.24 176.12 1dq4 h LYS 135 N 1.19 0.55 -3.50 4.02 3.11 -1.88 -3.20 116.57 116.86 1dq4 h LYS 135 Ca -0.42 -0.03 -0.72 0.00 -2.81 0.00 0.00 60.65 56.67 1dq4 h LYS 135 Cb 1.26 -0.12 -0.34 0.00 -1.00 0.00 0.00 32.23 32.03 1dq4 h LYS 135 CO 0.64 0.36 -0.14 0.34 -2.81 0.00 0.00 179.45 177.84 1dq4 s ASP 136 N -5.52 5.88 -1.01 4.20 2.15 -1.26 -4.78 116.67 116.33 1dq4 s ASP 136 Ca -0.13 -3.24 -0.11 0.00 0.43 0.00 0.00 52.55 49.50 1dq4 s ASP 136 Cb 0.16 -1.95 0.25 0.00 -0.30 0.00 0.00 42.92 41.08 1dq4 s ASP 136 CO 0.75 -0.31 1.01 -1.58 -0.17 0.00 0.00 175.17 174.87 1dq4 s GLN 137 N -0.64 3.98 0.60 4.34 2.00 -1.24 -4.89 119.66 123.80 1dq4 s GLN 137 Ca 0.22 -2.88 0.37 0.00 -2.00 0.00 0.00 55.36 51.07 1dq4 s GLN 137 Cb -0.13 -4.55 1.93 0.00 0.80 0.00 0.00 33.01 31.06 1dq4 s GLN 137 CO -0.08 -1.30 2.21 0.87 -0.50 0.00 0.00 175.29 176.49 1dq4 h LYS 138 N 7.14 0.00 -0.58 1.67 1.57 -1.94 -2.87 116.57 121.56 1dq4 h LYS 138 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1dq4 h LYS 138 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1dq4 h LYS 138 CO 0.94 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 179.44 1dq4 n ASP 139 N -3.26 2.49 -4.07 0.86 5.68 -1.26 -4.82 116.55 112.16 1dq4 n ASP 139 Ca -0.02 -2.21 -0.25 0.00 -0.50 0.00 0.00 54.79 51.81 1dq4 n ASP 139 Cb 0.16 -0.41 -0.16 0.00 -1.14 0.00 0.00 41.12 39.57 1dq4 n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1dq4 s LEU 140 N -1.13 1.79 -0.48 -2.12 1.43 -1.09 -1.68 118.68 115.41 1dq4 s LEU 140 Ca 0.24 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 1dq4 s LEU 140 Cb 0.15 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.58 1dq4 s LEU 140 CO 0.11 0.09 0.56 -0.63 0.23 0.00 0.00 176.35 176.71 1dq4 s ILE 141 N 0.32 4.95 -0.25 -0.59 1.01 0.14 -4.88 121.20 121.90 1dq4 s ILE 141 Ca -0.08 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1dq4 s ILE 141 Cb -0.13 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1dq4 s ILE 141 CO 0.03 -0.67 0.44 -0.76 0.00 0.00 0.00 174.94 173.97 1dq4 s LEU 142 N 2.44 4.07 0.18 2.97 1.43 -1.26 -0.97 118.68 127.55 1dq4 s LEU 142 Ca 0.14 0.44 0.10 0.00 -1.03 0.00 0.00 54.13 53.79 1dq4 s LEU 142 Cb -0.19 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1dq4 s LEU 142 CO 0.13 -0.20 -0.18 -1.10 0.23 0.00 0.00 176.35 175.23 1dq4 s GLN 143 N 1.97 1.74 4.98 1.70 -0.21 0.11 -4.96 119.66 124.98 1dq4 s GLN 143 Ca 0.18 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.16 1dq4 s GLN 143 Cb -0.15 -1.98 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1dq4 s GLN 143 CO 0.09 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1dq4 n GLY 144 N 0.22 1.33 1.35 3.09 0.00 -1.26 0.38 105.19 110.30 1dq4 n GLY 144 Ca -0.12 -0.70 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1dq4 n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dq4 n ASP 145 N 3.33 3.96 -4.77 1.61 8.00 -0.50 -4.91 116.55 123.27 1dq4 n ASP 145 Ca 0.00 -2.46 -0.39 0.00 0.71 0.00 0.00 54.79 52.65 1dq4 n ASP 145 Cb 0.00 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 1dq4 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dq4 s ALA 146 N -1.96 3.25 0.20 2.24 0.00 -0.96 -3.76 121.76 120.77 1dq4 s ALA 146 Ca 0.39 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 1dq4 s ALA 146 Cb 0.27 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1dq4 s ALA 146 CO 0.16 -0.46 0.41 0.95 0.00 0.00 0.00 175.76 176.81 1dq4 s THR 147 N -1.34 0.03 0.28 0.00 -4.23 0.43 -4.78 115.64 106.04 1dq4 s THR 147 Ca 0.53 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1dq4 s THR 147 Cb -0.32 -1.92 -0.06 0.00 1.34 0.00 0.00 72.50 71.54 1dq4 s THR 147 CO 0.41 -0.14 0.06 0.42 -0.54 0.00 0.00 174.62 174.83 1dq4 s THR 148 N -3.97 0.92 0.00 3.99 -4.23 -1.26 -0.84 115.64 110.26 1dq4 s THR 148 Ca 0.18 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 1dq4 s THR 148 Cb 0.01 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1dq4 s THR 148 CO 0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1dq4 n GLY 149 N -0.55 3.04 3.56 3.99 0.00 -1.06 -4.51 105.19 109.64 1dq4 n GLY 149 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1dq4 n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dq4 s THR 150 N -2.07 3.11 -0.48 2.61 2.01 -1.25 -1.42 115.64 118.16 1dq4 s THR 150 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1dq4 s THR 150 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1dq4 s THR 150 CO 0.00 -0.26 0.00 0.47 -0.69 0.00 0.00 174.62 174.14 1dq4 n ASP 151 N 16.30 -4.38 -0.99 3.53 8.00 -1.26 -1.78 116.55 135.97 1dq4 n ASP 151 Ca 0.39 0.11 -0.06 0.00 0.71 0.00 0.00 54.79 55.94 1dq4 n ASP 151 Cb 0.49 -2.28 0.01 0.00 -0.02 0.00 0.00 41.12 39.32 1dq4 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dq4 n GLY 152 N -1.33 0.33 3.53 0.44 0.00 -0.51 -4.96 105.19 102.69 1dq4 n GLY 152 Ca -0.05 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1dq4 n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dq4 s ASN 153 N -2.90 2.97 -0.28 1.61 0.01 -0.73 -1.36 114.94 114.25 1dq4 s ASN 153 Ca 0.08 -1.42 -0.07 0.00 -0.71 0.00 0.00 52.86 50.74 1dq4 s ASN 153 Cb -0.03 -0.09 -0.00 0.00 0.41 0.00 0.00 41.25 41.54 1dq4 s ASN 153 CO 0.10 -0.60 0.07 -0.22 -1.51 0.00 0.00 177.10 174.94 1dq4 s LEU 154 N -3.59 3.72 -0.49 0.60 2.96 -0.77 -2.57 118.68 118.54 1dq4 s LEU 154 Ca 0.33 -0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 53.52 1dq4 s LEU 154 Cb 0.08 -1.89 0.09 0.00 0.50 0.00 0.00 46.19 44.98 1dq4 s LEU 154 CO 0.15 -0.15 0.42 -1.61 -1.32 0.00 0.00 176.35 173.84 1dq4 s GLU 155 N 1.53 2.94 0.01 1.98 0.41 -0.02 -0.38 118.70 125.18 1dq4 s GLU 155 Ca 0.04 -1.48 -0.25 0.00 -0.41 0.00 0.00 54.97 52.87 1dq4 s GLU 155 Cb -0.17 -4.15 -0.17 0.00 -1.78 0.00 0.00 34.13 27.86 1dq4 s GLU 155 CO 0.03 -1.12 1.29 -0.07 -0.49 0.00 0.00 175.26 174.89 1dq4 h LEU 156 N 8.76 -0.26 -9.99 1.80 3.38 -1.54 0.12 115.31 117.58 1dq4 h LEU 156 Ca -0.28 -0.22 -0.57 0.00 0.09 0.00 0.00 57.88 56.90 1dq4 h LEU 156 Cb 1.10 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1dq4 h LEU 156 CO 0.92 0.10 -0.43 0.42 0.09 0.00 0.00 178.44 179.54 1dq4 s THR 157 N -4.73 5.30 0.26 0.22 -4.23 -1.26 -2.27 115.64 108.93 1dq4 s THR 157 Ca -0.14 -0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.63 1dq4 s THR 157 Cb 0.02 -3.69 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 1dq4 s THR 157 CO 0.58 -0.02 1.39 -2.11 -0.54 0.00 0.00 174.62 173.93 1dq4 n ARG 158 N -0.21 2.08 -3.01 3.99 1.85 -1.25 -4.68 116.66 115.42 1dq4 n ARG 158 Ca -0.05 0.74 -0.44 0.00 -1.00 0.00 0.00 57.85 57.09 1dq4 n ARG 158 Cb 0.53 -2.38 -0.02 0.00 -1.05 0.00 0.00 32.46 29.53 1dq4 n ARG 158 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1dq4 s VAL 159 N -0.24 5.00 0.00 8.89 0.11 -1.26 -4.88 120.40 128.01 1dq4 s VAL 159 Ca 0.66 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1dq4 s VAL 159 Cb -0.63 -4.75 0.00 0.00 -1.53 0.00 0.00 36.38 29.47 1dq4 s VAL 159 CO 0.52 -1.45 0.00 0.00 -3.33 0.00 0.00 175.10 170.84 1dq4 n GLN 166 N 5.76 0.00 -1.52 1.54 1.13 -0.56 -5.17 117.38 118.57 1dq4 n GLN 166 Ca 0.25 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 55.00 1dq4 n GLN 166 Cb 0.47 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.68 1dq4 n GLN 166 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dq4 n GLY 167 N -1.21 -0.33 3.02 1.08 0.00 -1.26 -3.84 105.19 102.66 1dq4 n GLY 167 Ca 0.00 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 1dq4 n GLY 167 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dq4 n SER 168 N 11.18 -6.52 -4.04 1.61 2.88 -0.08 -5.03 113.62 113.63 1dq4 n SER 168 Ca 0.59 0.96 -0.17 0.00 -1.33 0.00 0.00 58.87 58.91 1dq4 n SER 168 Cb 0.21 -2.15 -0.14 0.00 -0.75 0.00 0.00 64.21 61.38 1dq4 n SER 168 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1dq4 s SER 169 N -0.25 1.04 -0.10 -3.46 0.15 -1.24 -4.91 113.70 104.94 1dq4 s SER 169 Ca -0.04 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.35 1dq4 s SER 169 Cb 0.00 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.25 1dq4 s SER 169 CO 0.13 0.04 -0.07 -0.69 1.20 0.00 0.00 173.24 173.85 1dq4 s VAL 170 N -0.47 0.94 0.11 4.45 1.01 -1.26 -0.93 120.40 124.24 1dq4 s VAL 170 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1dq4 s VAL 170 Cb -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1dq4 s VAL 170 CO 0.00 0.35 -0.08 -0.83 0.00 0.00 0.00 175.10 174.53 1dq4 s GLY 171 N 1.55 0.85 0.04 4.51 0.00 -0.55 -1.41 107.32 112.32 1dq4 s GLY 171 Ca 0.01 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.31 1dq4 s GLY 171 CO -0.06 -1.42 0.20 0.50 0.00 0.00 0.00 173.10 172.32 1dq4 s ARG 172 N -3.48 0.71 -0.26 2.90 0.52 0.16 -1.82 118.95 117.68 1dq4 s ARG 172 Ca 0.11 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 1dq4 s ARG 172 Cb 0.02 0.29 0.13 0.00 0.52 0.00 0.00 34.95 35.92 1dq4 s ARG 172 CO -0.02 -0.21 0.32 0.00 0.02 0.00 0.00 175.30 175.41 1dq4 s ALA 173 N -2.70 -0.70 0.07 2.13 0.00 -0.66 0.05 121.76 119.96 1dq4 s ALA 173 Ca -0.04 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1dq4 s ALA 173 Cb -0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1dq4 s ALA 173 CO -0.05 -1.52 0.03 -0.51 0.00 0.00 0.00 175.76 173.71 1dq4 s LEU 174 N 2.43 3.61 0.30 0.00 1.02 -0.14 -1.89 118.68 124.01 1dq4 s LEU 174 Ca 0.10 -0.09 -0.29 0.00 0.02 0.00 0.00 54.13 53.87 1dq4 s LEU 174 Cb -0.14 -2.28 -0.10 0.00 0.02 0.00 0.00 46.19 43.68 1dq4 s LEU 174 CO -0.25 0.19 1.19 0.12 0.02 0.00 0.00 176.35 177.63 1dq4 s PHE 175 N -1.31 3.34 0.11 0.29 5.36 -0.60 0.27 117.98 125.44 1dq4 s PHE 175 Ca 0.26 1.57 -0.26 0.00 -0.96 0.00 0.00 56.93 57.54 1dq4 s PHE 175 Cb -0.12 -3.46 -0.09 0.00 -0.34 0.00 0.00 43.02 39.01 1dq4 s PHE 175 CO 0.19 -1.14 1.65 -0.92 -1.46 0.00 0.00 175.22 173.54 1dq4 h TYR 176 N 3.61 -0.57 -3.18 10.12 3.20 -1.66 -3.43 116.97 125.04 1dq4 h TYR 176 Ca -0.48 0.01 -0.53 0.00 3.14 0.00 0.00 58.73 60.87 1dq4 h TYR 176 Cb 1.22 0.24 0.02 0.00 1.54 0.00 0.00 36.73 39.75 1dq4 h TYR 176 CO 0.57 -0.31 0.65 0.00 -1.64 0.00 0.00 178.16 177.43 1dq4 s ALA 177 N -6.09 3.51 0.51 1.82 0.00 -1.26 -4.99 121.76 115.25 1dq4 s ALA 177 Ca -0.15 1.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 1dq4 s ALA 177 Cb 0.08 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1dq4 s ALA 177 CO 0.65 -0.53 1.26 -2.14 0.00 0.00 0.00 175.76 175.01 1dq4 s PRO 178 N 0.67 3.42 -0.12 0.00 0.02 -1.26 -4.84 135.00 132.90 1dq4 s PRO 178 Ca 0.60 2.01 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1dq4 s PRO 178 Cb -0.35 -2.32 -0.03 0.00 0.02 0.00 0.00 34.50 31.83 1dq4 s PRO 178 CO 0.32 -0.89 -0.03 0.08 -0.33 0.00 0.00 177.00 176.15 1dq4 s VAL 179 N -1.42 4.00 -1.04 3.83 1.01 0.33 -4.92 120.40 122.19 1dq4 s VAL 179 Ca 0.68 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1dq4 s VAL 179 Cb -0.35 -2.71 0.17 0.00 0.00 0.00 0.00 36.38 33.50 1dq4 s VAL 179 CO 0.41 0.55 1.20 -2.28 0.00 0.00 0.00 175.10 174.98 1dq4 s HIS 180 N -0.25 3.47 0.09 5.22 2.46 -1.26 -0.49 115.29 124.53 1dq4 s HIS 180 Ca 0.05 -1.89 -0.25 0.00 0.47 0.00 0.00 55.06 53.43 1dq4 s HIS 180 Cb -0.13 -4.19 -0.15 0.00 -0.13 0.00 0.00 32.58 27.98 1dq4 s HIS 180 CO 0.02 -1.33 1.71 0.82 -2.47 0.00 0.00 174.74 173.49 1dq4 h ILE 181 N 5.02 0.83 -3.38 0.89 2.04 -1.77 -3.46 117.51 117.68 1dq4 h ILE 181 Ca 0.22 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.68 1dq4 h ILE 181 Cb 0.95 0.83 -0.14 0.00 -0.74 0.00 0.00 36.82 37.72 1dq4 h ILE 181 CO 1.11 0.00 -0.63 -1.66 0.00 0.00 0.00 178.15 176.97 1dq4 s TRP 182 N -6.16 1.66 -0.08 1.37 1.48 -1.24 -4.68 118.94 111.28 1dq4 s TRP 182 Ca -0.14 -1.04 -0.16 0.00 -1.06 0.00 0.00 56.10 53.69 1dq4 s TRP 182 Cb 0.06 -1.01 0.04 0.00 -1.16 0.00 0.00 33.47 31.40 1dq4 s TRP 182 CO 0.65 -0.15 0.39 -2.00 -4.06 0.00 0.00 176.95 171.78 1dq4 s GLU 183 N -3.94 0.62 0.41 3.25 2.12 -1.26 -4.85 118.70 115.05 1dq4 s GLU 183 Ca 0.35 0.21 0.21 0.00 0.36 0.00 0.00 54.97 56.10 1dq4 s GLU 183 Cb 0.07 0.29 0.85 0.00 0.26 0.00 0.00 34.13 35.60 1dq4 s GLU 183 CO 0.13 -0.14 1.80 0.77 -0.54 0.00 0.00 175.26 177.28 1dq4 h SER 184 N 4.53 0.00 -0.05 -1.70 0.02 -2.03 -3.17 113.55 111.16 1dq4 h SER 184 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1dq4 h SER 184 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1dq4 h SER 184 CO 0.33 0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 174.77 1dq4 n SER 185 N -3.51 1.76 -4.76 3.07 3.41 -1.26 -4.94 113.62 107.39 1dq4 n SER 185 Ca -0.00 -1.60 -0.39 0.00 -0.26 0.00 0.00 58.87 56.62 1dq4 n SER 185 Cb 0.45 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1dq4 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dq4 s ALA 186 N -1.96 3.48 0.14 7.33 0.00 -1.20 -3.59 121.76 125.95 1dq4 s ALA 186 Ca 0.36 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1dq4 s ALA 186 Cb 0.20 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 1dq4 s ALA 186 CO 0.32 0.16 1.31 -0.24 0.00 0.00 0.00 175.76 177.31 1dq4 h VAL 187 N 4.14 1.51 -2.54 0.00 3.04 -0.84 -3.45 116.25 118.11 1dq4 h VAL 187 Ca -0.45 -2.77 -0.10 0.00 -1.01 0.00 0.00 66.70 62.37 1dq4 h VAL 187 Cb 1.20 2.59 -0.28 0.00 -2.01 0.00 0.00 31.29 32.80 1dq4 h VAL 187 CO 0.70 0.81 -0.37 0.54 -1.01 0.00 0.00 177.57 178.24 1dq4 s VAL 188 N -3.06 -0.58 0.05 1.51 0.11 -1.13 -4.81 120.40 112.50 1dq4 s VAL 188 Ca -0.03 0.16 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1dq4 s VAL 188 Cb 0.09 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1dq4 s VAL 188 CO 0.84 0.07 -0.13 0.00 -3.33 0.00 0.00 175.10 172.55 1dq4 s ALA 189 N 2.48 2.79 -0.07 1.54 0.00 -1.26 -1.51 121.76 125.74 1dq4 s ALA 189 Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 1dq4 s ALA 189 Cb -0.12 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.23 1dq4 s ALA 189 CO -0.13 0.60 0.78 -1.54 0.00 0.00 0.00 175.76 175.47 1dq4 s SER 190 N -1.67 -0.56 0.12 0.00 1.04 -0.76 0.28 113.70 112.14 1dq4 s SER 190 Ca 0.17 0.55 0.01 0.00 0.48 0.00 0.00 55.95 57.16 1dq4 s SER 190 Cb -0.11 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1dq4 s SER 190 CO 0.08 -0.55 -0.01 0.72 0.98 0.00 0.00 173.24 174.46 1dq4 s PHE 191 N -1.41 0.90 -0.23 5.02 -0.12 -0.43 -0.93 117.98 120.77 1dq4 s PHE 191 Ca -0.07 -1.05 -0.09 0.00 -0.05 0.00 0.00 56.93 55.67 1dq4 s PHE 191 Cb -0.00 -0.53 0.10 0.00 -0.63 0.00 0.00 43.02 41.96 1dq4 s PHE 191 CO 0.05 -0.30 0.51 -2.00 -0.05 0.00 0.00 175.22 173.43 1dq4 s GLU 192 N -3.93 0.44 0.18 1.99 2.12 -0.34 -1.86 118.70 117.29 1dq4 s GLU 192 Ca 0.17 1.16 0.10 0.00 0.36 0.00 0.00 54.97 56.76 1dq4 s GLU 192 Cb 0.07 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.87 1dq4 s GLU 192 CO -0.02 -0.22 -0.21 0.00 -0.54 0.00 0.00 175.26 174.27 1dq4 s ALA 193 N 2.51 2.27 -0.11 6.30 0.00 -0.07 -1.42 121.76 131.25 1dq4 s ALA 193 Ca -0.04 -1.56 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1dq4 s ALA 193 Cb -0.11 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.79 1dq4 s ALA 193 CO -0.15 0.33 0.43 0.99 0.00 0.00 0.00 175.76 177.36 1dq4 s THR 194 N -1.86 0.02 -0.23 0.00 2.01 -0.76 -1.07 115.64 113.74 1dq4 s THR 194 Ca 0.18 -0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 1dq4 s THR 194 Cb -0.07 -0.66 0.07 0.00 0.01 0.00 0.00 72.50 71.86 1dq4 s THR 194 CO 0.08 -0.07 0.73 0.72 -0.69 0.00 0.00 174.62 175.39 1dq4 s PHE 195 N -0.35 -0.74 -0.21 4.92 -0.71 -1.01 -1.59 117.98 118.30 1dq4 s PHE 195 Ca -0.05 1.73 -0.08 0.00 -1.04 0.00 0.00 56.93 57.49 1dq4 s PHE 195 Cb -0.03 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 1dq4 s PHE 195 CO 0.03 -0.41 0.07 0.95 -1.34 0.00 0.00 175.22 174.52 1dq4 s THR 196 N 0.07 4.70 0.48 -4.49 -4.23 -1.09 -1.19 115.64 109.88 1dq4 s THR 196 Ca -0.02 -0.06 0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1dq4 s THR 196 Cb -0.04 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.64 1dq4 s THR 196 CO 0.02 0.41 0.23 0.72 -0.54 0.00 0.00 174.62 175.47 1dq4 s PHE 197 N 0.83 2.14 -0.29 3.99 -0.71 -0.31 -0.27 117.98 123.35 1dq4 s PHE 197 Ca 0.04 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 1dq4 s PHE 197 Cb -0.13 -1.89 0.19 0.00 -1.21 0.00 0.00 43.02 39.97 1dq4 s PHE 197 CO 0.02 -0.05 0.58 -1.17 -1.34 0.00 0.00 175.22 173.26 1dq4 s LEU 198 N -4.04 -1.36 -0.40 -1.99 0.20 -0.70 -1.72 118.68 108.67 1dq4 s LEU 198 Ca 0.33 0.66 -0.12 0.00 0.69 0.00 0.00 54.13 55.69 1dq4 s LEU 198 Cb 0.01 2.04 0.04 0.00 -0.43 0.00 0.00 46.19 47.85 1dq4 s LEU 198 CO 0.19 -0.27 0.26 -0.63 -0.29 0.00 0.00 176.35 175.60 1dq4 s ILE 199 N 2.82 4.73 -0.16 6.68 1.01 -1.26 -2.65 121.20 132.37 1dq4 s ILE 199 Ca 0.18 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1dq4 s ILE 199 Cb -0.14 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1dq4 s ILE 199 CO -0.22 -0.34 -0.05 -0.75 0.00 0.00 0.00 174.94 173.58 1dq4 s LYS 200 N 1.57 3.57 -0.03 2.79 2.20 -1.22 -1.36 119.74 127.26 1dq4 s LYS 200 Ca 0.03 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 1dq4 s LYS 200 Cb -0.20 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1dq4 s LYS 200 CO 0.07 0.15 0.08 0.45 -0.36 0.00 0.00 175.35 175.74 1dq4 s SER 201 N 0.58 -0.07 0.20 1.43 0.15 -1.26 -1.61 113.70 113.13 1dq4 s SER 201 Ca -0.04 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1dq4 s SER 201 Cb -0.15 0.17 0.15 0.00 -1.71 0.00 0.00 66.02 64.48 1dq4 s SER 201 CO 0.03 -0.06 1.50 1.55 1.20 0.00 0.00 173.24 177.46 1dq4 h PRO 202 N 5.88 0.37 -6.90 5.44 0.13 -2.00 -3.44 132.00 131.48 1dq4 h PRO 202 Ca -0.25 -0.27 -0.51 0.00 -0.87 0.00 0.00 66.00 64.10 1dq4 h PRO 202 Cb 1.20 0.04 0.05 0.00 0.13 0.00 0.00 31.00 32.42 1dq4 h PRO 202 CO 0.45 0.88 0.52 -0.51 -0.23 0.00 0.00 178.00 179.12 1dq4 s ASP 203 N -6.93 6.76 0.43 1.44 1.01 -1.26 -4.95 116.67 113.17 1dq4 s ASP 203 Ca -0.05 2.39 0.23 0.00 0.71 0.00 0.00 52.55 55.83 1dq4 s ASP 203 Cb 0.11 -2.62 0.84 0.00 1.01 0.00 0.00 42.92 42.26 1dq4 s ASP 203 CO 0.82 -0.51 1.79 0.77 0.21 0.00 0.00 175.17 178.25 1dq4 h SER 204 N 3.08 0.00 -1.99 0.27 4.64 -2.00 -3.37 113.55 114.18 1dq4 h SER 204 Ca -0.48 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.28 1dq4 h SER 204 Cb 1.23 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.93 1dq4 h SER 204 CO 0.64 0.24 -1.10 0.00 -0.87 0.00 0.00 176.83 175.74 1dq4 n HIS 205 N -3.36 -0.44 -2.25 4.77 1.44 -1.26 -5.02 115.22 109.09 1dq4 n HIS 205 Ca 0.00 -3.52 -0.32 0.00 -2.01 0.00 0.00 57.72 51.87 1dq4 n HIS 205 Cb 0.46 -0.30 -0.02 0.00 0.12 0.00 0.00 29.99 30.25 1dq4 n HIS 205 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1dq4 s PRO 206 N -1.10 3.77 -0.38 -1.40 0.04 -1.26 -5.04 135.00 129.63 1dq4 s PRO 206 Ca 0.35 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.23 1dq4 s PRO 206 Cb 0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1dq4 s PRO 206 CO -0.12 -0.42 0.29 0.00 0.04 0.00 0.00 177.00 176.79 1dq4 s ALA 207 N -2.66 3.49 0.30 8.56 0.00 -1.26 -4.79 121.76 125.39 1dq4 s ALA 207 Ca 0.59 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1dq4 s ALA 207 Cb -0.11 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1dq4 s ALA 207 CO 0.35 -1.27 0.28 0.34 0.00 0.00 0.00 175.76 175.47 1dq4 s ASP 208 N 1.70 1.17 -0.30 0.00 2.15 -1.26 -2.27 116.67 117.86 1dq4 s ASP 208 Ca 0.06 -1.61 -0.18 0.00 0.43 0.00 0.00 52.55 51.25 1dq4 s ASP 208 Cb -0.18 0.53 0.19 0.00 -0.30 0.00 0.00 42.92 43.16 1dq4 s ASP 208 CO 0.10 -1.05 1.20 -0.83 -0.17 0.00 0.00 175.17 174.42 1dq4 s GLY 209 N -3.29 0.12 0.34 2.66 0.00 -1.06 -0.54 107.32 105.54 1dq4 s GLY 209 Ca 0.38 3.44 0.08 0.00 0.00 0.00 0.00 44.72 48.63 1dq4 s GLY 209 CO 0.23 3.39 0.16 -0.42 0.00 0.00 0.00 173.10 176.45 1dq4 s ILE 210 N 2.23 3.07 -0.28 0.90 1.01 -0.71 -1.69 121.20 125.73 1dq4 s ILE 210 Ca -0.01 -1.67 -0.25 0.00 0.00 0.00 0.00 60.65 58.73 1dq4 s ILE 210 Cb -0.03 -3.00 0.12 0.00 0.01 0.00 0.00 42.46 39.57 1dq4 s ILE 210 CO -0.16 -0.18 1.02 0.00 0.00 0.00 0.00 174.94 175.62 1dq4 s ALA 211 N -2.41 -1.96 -0.25 9.38 0.00 -0.70 -0.53 121.76 125.29 1dq4 s ALA 211 Ca 0.38 1.87 -0.13 0.00 0.00 0.00 0.00 51.96 54.08 1dq4 s ALA 211 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1dq4 s ALA 211 CO 0.23 -0.24 0.29 0.12 0.00 0.00 0.00 175.76 176.15 1dq4 s PHE 212 N 0.19 3.29 0.09 0.00 5.36 -0.80 -0.79 117.98 125.32 1dq4 s PHE 212 Ca 0.03 0.35 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 1dq4 s PHE 212 Cb -0.05 -2.44 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1dq4 s PHE 212 CO -0.06 -0.08 -0.17 -0.59 -1.46 0.00 0.00 175.22 172.86 1dq4 s PHE 213 N 1.55 1.50 -0.12 10.12 -0.71 -0.36 -1.16 117.98 128.80 1dq4 s PHE 213 Ca 0.12 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.58 1dq4 s PHE 213 Cb -0.15 -0.82 -0.00 0.00 -1.21 0.00 0.00 43.02 40.84 1dq4 s PHE 213 CO 0.08 0.14 -0.20 0.42 -1.34 0.00 0.00 175.22 174.32 1dq4 s ILE 214 N -1.35 2.41 0.35 -4.49 1.01 0.19 -1.27 121.20 118.04 1dq4 s ILE 214 Ca 0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.80 1dq4 s ILE 214 Cb -0.09 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 1dq4 s ILE 214 CO 0.03 0.54 0.46 -0.94 0.00 0.00 0.00 174.94 175.03 1dq4 s SER 215 N 0.45 1.15 0.53 3.58 1.04 -0.65 -2.27 113.70 117.54 1dq4 s SER 215 Ca -0.14 -1.58 -0.21 0.00 0.48 0.00 0.00 55.95 54.50 1dq4 s SER 215 Cb -0.17 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1dq4 s SER 215 CO 0.06 -1.29 1.24 0.54 0.98 0.00 0.00 173.24 174.76 1dq4 s ASN 216 N -3.28 5.55 0.61 7.02 4.22 -1.25 -0.96 114.94 126.85 1dq4 s ASN 216 Ca 0.32 2.47 0.26 0.00 -2.14 0.00 0.00 52.86 53.78 1dq4 s ASN 216 Cb -0.00 -2.61 1.20 0.00 1.28 0.00 0.00 41.25 41.12 1dq4 s ASN 216 CO 0.23 -1.36 1.63 0.16 -2.04 0.00 0.00 177.10 175.72 1dq4 h ILE 217 N 1.39 0.17 -0.36 0.54 3.07 -1.82 -1.34 117.51 119.15 1dq4 h ILE 217 Ca -0.50 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 65.68 1dq4 h ILE 217 Cb 1.28 0.37 -0.15 0.00 -0.27 0.00 0.00 36.82 38.06 1dq4 h ILE 217 CO 0.57 0.00 -0.29 -0.90 -1.05 0.00 0.00 178.15 176.48 1dq4 n ASP 218 N -3.36 2.95 -4.74 2.16 5.75 -1.26 -4.87 116.55 113.18 1dq4 n ASP 218 Ca 0.11 -3.82 -0.41 0.00 -0.01 0.00 0.00 54.79 50.66 1dq4 n ASP 218 Cb 0.95 -0.57 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1dq4 n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1dq4 s SER 219 N -2.90 6.90 0.09 -1.12 0.15 -0.51 -5.03 113.70 111.27 1dq4 s SER 219 Ca 0.45 2.43 0.02 0.00 0.70 0.00 0.00 55.95 59.55 1dq4 s SER 219 Cb 0.40 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1dq4 s SER 219 CO -0.02 -0.51 -0.07 -0.94 1.20 0.00 0.00 173.24 172.91 1dq4 s SER 220 N 0.17 1.11 -0.24 5.45 1.04 -1.26 -5.05 113.70 114.91 1dq4 s SER 220 Ca 0.55 -0.92 -0.34 0.00 0.48 0.00 0.00 55.95 55.73 1dq4 s SER 220 Cb -0.37 0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.73 1dq4 s SER 220 CO 0.40 -0.41 2.09 -0.38 0.98 0.00 0.00 173.24 175.92 1dq4 n ILE 221 N 0.25 0.35 -1.95 -1.02 5.41 -1.26 -4.91 119.36 116.22 1dq4 n ILE 221 Ca -0.14 -0.25 -0.37 0.00 1.00 0.00 0.00 62.75 62.99 1dq4 n ILE 221 Cb 0.60 -1.90 0.03 0.00 -0.71 0.00 0.00 39.64 37.65 1dq4 n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1dq4 s PRO 222 N 5.49 3.11 0.14 0.38 0.02 -1.26 -4.92 135.00 137.97 1dq4 s PRO 222 Ca 1.02 1.98 -0.31 0.00 0.02 0.00 0.00 61.00 63.70 1dq4 s PRO 222 Cb -0.70 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.62 1dq4 s PRO 222 CO 0.48 -1.13 1.59 -1.54 -0.33 0.00 0.00 177.00 176.06 1dq4 s SER 223 N -1.32 6.59 -0.82 2.53 1.04 -1.26 -2.49 113.70 117.97 1dq4 s SER 223 Ca 0.74 2.59 -0.00 0.00 0.48 0.00 0.00 55.95 59.76 1dq4 s SER 223 Cb -0.34 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.19 1dq4 s SER 223 CO 0.39 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1dq4 n GLY 224 N 3.80 -0.03 1.52 7.32 0.00 -1.26 -4.69 105.19 111.86 1dq4 n GLY 224 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 1dq4 n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dq4 n SER 225 N 0.17 3.44 -4.80 1.61 3.41 -1.04 -4.70 113.62 111.71 1dq4 n SER 225 Ca -0.11 -2.74 -0.30 0.00 -0.26 0.00 0.00 58.87 55.46 1dq4 n SER 225 Cb 0.59 -0.65 0.09 0.00 -0.26 0.00 0.00 64.21 63.97 1dq4 n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1dq4 s THR 226 N -1.80 3.17 0.00 6.66 -4.23 -1.26 0.46 115.64 118.63 1dq4 s THR 226 Ca 0.30 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1dq4 s THR 226 Cb 0.24 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1dq4 s THR 226 CO 0.07 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1dq4 n GLY 227 N -1.95 2.93 0.27 3.99 0.00 -1.26 -2.19 105.19 106.98 1dq4 n GLY 227 Ca 0.07 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.51 1dq4 n GLY 227 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dq4 h ARG 228 N 0.00 0.00 0.00 1.61 2.43 -1.95 -2.59 114.38 113.88 1dq4 h ARG 228 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dq4 h ARG 228 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1dq4 h ARG 228 CO 0.00 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.83 1dq4 n LEU 229 N -3.75 0.00 -0.33 3.80 4.77 -0.93 -4.89 117.00 115.68 1dq4 n LEU 229 Ca -0.02 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1dq4 n LEU 229 Cb 0.19 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1dq4 n LEU 229 CO 0.30 -0.11 -0.03 0.18 -1.33 0.00 0.00 177.39 176.40 1dq4 n LEU 230 N -1.27 0.31 0.00 2.23 4.77 -0.98 -1.69 117.00 120.37 1dq4 n LEU 230 Ca 0.09 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1dq4 n LEU 230 Cb 0.14 -2.02 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1dq4 n LEU 230 CO 0.14 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 1dq4 n GLY 231 N 0.50 0.77 0.11 -0.72 0.00 0.17 -4.15 105.19 101.87 1dq4 n GLY 231 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1dq4 n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dq4 n LEU 232 N 0.00 2.74 -4.53 0.99 4.77 -0.68 -4.30 117.00 115.99 1dq4 n LEU 232 Ca 0.00 -0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.54 1dq4 n LEU 232 Cb 0.01 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 1dq4 n LEU 232 CO 0.00 0.84 -0.41 -0.36 -1.33 0.00 0.00 177.39 176.13 1dq4 s PHE 233 N -2.44 2.83 -0.20 -1.77 0.08 -0.92 -4.76 117.98 110.81 1dq4 s PHE 233 Ca -0.28 -0.07 0.22 0.00 0.12 0.00 0.00 56.93 56.91 1dq4 s PHE 233 Cb 0.07 -1.68 0.47 0.00 -0.57 0.00 0.00 43.02 41.32 1dq4 s PHE 233 CO 0.53 0.25 1.64 -1.00 -0.10 0.00 0.00 175.22 176.54 1dq4 h PRO 234 N 5.33 0.00 -2.12 0.24 0.13 -1.86 -3.36 132.00 130.36 1dq4 h PRO 234 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1dq4 h PRO 234 Cb 1.16 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1dq4 h PRO 234 CO 0.52 0.19 0.12 -0.51 -0.23 0.00 0.00 178.00 178.09 1dq4 s ASP 235 N -6.22 -0.63 -1.57 1.44 1.01 -1.26 -4.53 116.67 104.92 1dq4 s ASP 235 Ca 0.04 0.80 -0.09 0.00 0.71 0.00 0.00 52.55 54.01 1dq4 s ASP 235 Cb 0.07 0.70 -0.05 0.00 1.01 0.00 0.00 42.92 44.65 1dq4 s ASP 235 CO 0.67 -0.51 2.84 0.00 0.21 0.00 0.00 175.17 178.38 1dq4 n ALA 236 N 1.34 7.39 1.59 5.23 0.00 -1.26 -4.80 120.51 129.99 1dq4 n ALA 236 Ca -0.18 -3.64 0.14 0.00 0.00 0.00 0.00 53.44 49.76 1dq4 n ALA 236 Cb 0.57 -3.27 0.60 0.00 0.00 0.00 0.00 19.45 17.34 1dq4 n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59