#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dq7 h PRO -1 N 0.00 0.00 -0.06 -0.67 0.11 -2.05 0.12 132.00 129.45 3dq7 h PRO -1 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3dq7 h PRO -1 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dq7 h PRO -1 CO 0.00 0.00 -0.22 1.98 -0.21 0.00 0.00 178.00 179.55 3dq7 h MET 0 N 0.00 0.25 -0.41 1.05 1.85 -2.03 -2.40 114.93 113.23 3dq7 h MET 0 Ca 0.00 -0.19 0.01 0.00 -0.61 0.00 0.00 59.70 58.90 3dq7 h MET 0 Cb 0.27 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.32 3dq7 h MET 0 CO 0.00 0.82 0.27 0.28 -0.40 0.00 0.00 176.91 177.89 3dq7 h VAL 1 N -0.27 1.10 -0.48 -5.77 2.07 -1.48 -2.66 116.25 108.76 3dq7 h VAL 1 Ca -0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3dq7 h VAL 1 Cb 0.85 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3dq7 h VAL 1 CO 0.05 0.10 0.32 -1.28 0.02 0.00 0.00 177.57 176.78 3dq7 h SER 2 N 0.56 0.50 0.00 0.57 0.87 -0.92 -1.49 113.55 113.64 3dq7 h SER 2 Ca 0.15 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3dq7 h SER 2 Cb -0.06 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3dq7 h SER 2 CO -0.04 0.35 0.00 1.17 -0.53 0.00 0.00 176.83 177.79 3dq7 n LYS 3 N -4.47 0.00 -0.35 2.24 4.81 -0.91 0.58 118.16 120.06 3dq7 n LYS 3 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.43 3dq7 n LYS 3 Cb 0.11 -0.41 -0.02 0.00 0.02 0.00 0.00 35.03 34.74 3dq7 n LYS 3 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3dq7 h GLY 4 N 0.00 -0.31 1.94 3.14 0.00 -1.71 1.15 103.07 107.29 3dq7 h GLY 4 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.95 3dq7 h GLY 4 CO 0.00 -0.12 0.02 -2.09 0.00 0.00 0.00 176.54 174.35 3dq7 h GLU 5 N -0.05 0.00 0.00 4.80 4.81 -1.39 -2.83 114.58 119.92 3dq7 h GLU 5 Ca 0.26 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3dq7 h GLU 5 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3dq7 h GLU 5 CO -0.91 0.00 -0.17 1.49 -0.73 0.00 0.00 179.01 178.69 3dq7 h GLU 6 N 0.00 0.00 0.00 1.92 4.81 2.47 -3.02 114.58 120.76 3dq7 h GLU 6 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3dq7 h GLU 6 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3dq7 h GLU 6 CO -0.00 0.17 -0.02 1.28 -0.73 0.00 0.00 179.01 179.71 3dq7 n LEU 7 N -3.28 0.50 -0.06 1.64 4.77 -0.53 -3.76 117.00 116.29 3dq7 n LEU 7 Ca 0.01 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 3dq7 n LEU 7 Cb 0.43 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3dq7 n LEU 7 CO 0.32 -0.11 0.50 0.49 -1.33 0.00 0.00 177.39 177.26 3dq7 n PHE 8 N -1.97 0.00 0.25 -1.77 3.01 -1.19 -4.69 117.46 111.11 3dq7 n PHE 8 Ca 0.06 -0.64 0.13 0.00 1.01 0.00 0.00 57.45 58.02 3dq7 n PHE 8 Cb 0.40 -0.09 0.63 0.00 -0.01 0.00 0.00 39.48 40.40 3dq7 n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dq7 h THR 9 N 0.66 0.37 -3.15 4.37 1.35 -1.62 -3.36 112.91 111.53 3dq7 h THR 9 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3dq7 h THR 9 Cb 0.80 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3dq7 h THR 9 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3dq7 n GLY 10 N -0.14 6.54 3.70 5.82 0.00 -1.26 -4.73 105.19 115.11 3dq7 n GLY 10 Ca -0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3dq7 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dq7 s VAL 11 N 0.86 4.12 -0.12 1.61 1.01 -1.26 -4.37 120.40 122.25 3dq7 s VAL 11 Ca 0.00 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.50 3dq7 s VAL 11 Cb 0.00 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3dq7 s VAL 11 CO 0.00 0.06 -0.20 -0.69 0.00 0.00 0.00 175.10 174.28 3dq7 s VAL 12 N 1.58 2.39 0.42 2.92 1.01 0.40 -4.94 120.40 124.17 3dq7 s VAL 12 Ca 0.58 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 3dq7 s VAL 12 Cb -0.28 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 3dq7 s VAL 12 CO 0.26 0.54 1.20 -2.16 0.00 0.00 0.00 175.10 174.94 3dq7 s PRO 13 N 0.52 3.96 -0.00 2.72 0.04 -1.26 -1.09 135.00 139.89 3dq7 s PRO 13 Ca -0.12 1.89 0.07 0.00 0.04 0.00 0.00 61.00 62.88 3dq7 s PRO 13 Cb -0.17 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3dq7 s PRO 13 CO 0.05 -0.41 -0.23 0.42 0.04 0.00 0.00 177.00 176.87 3dq7 s ILE 14 N -1.41 1.80 -0.06 0.56 1.01 0.23 -0.62 121.20 122.71 3dq7 s ILE 14 Ca 0.59 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 60.22 3dq7 s ILE 14 Cb -0.32 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.64 3dq7 s ILE 14 CO 0.40 0.44 -0.17 -0.22 0.00 0.00 0.00 174.94 175.38 3dq7 s LEU 15 N -0.72 1.88 -0.03 2.97 2.96 -0.36 -2.04 118.68 123.34 3dq7 s LEU 15 Ca 0.09 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3dq7 s LEU 15 Cb -0.09 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3dq7 s LEU 15 CO -0.00 0.13 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.28 3dq7 s VAL 16 N 0.21 1.57 -0.06 1.68 1.01 0.02 -0.86 120.40 123.97 3dq7 s VAL 16 Ca -0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 3dq7 s VAL 16 Cb -0.13 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3dq7 s VAL 16 CO 0.03 0.45 0.01 -1.61 0.00 0.00 0.00 175.10 173.98 3dq7 s GLU 17 N -0.18 0.43 -0.07 2.72 0.41 -0.49 0.07 118.70 121.61 3dq7 s GLU 17 Ca 0.00 0.15 0.04 0.00 -0.41 0.00 0.00 54.97 54.76 3dq7 s GLU 17 Cb -0.10 -0.80 -0.00 0.00 -1.78 0.00 0.00 34.13 31.44 3dq7 s GLU 17 CO 0.01 -0.27 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.13 3dq7 s LEU 18 N 1.83 1.97 -0.15 1.80 0.20 0.30 -0.16 118.68 124.47 3dq7 s LEU 18 Ca 0.02 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.37 3dq7 s LEU 18 Cb -0.12 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.43 3dq7 s LEU 18 CO -0.04 0.17 -0.08 -1.81 -0.29 0.00 0.00 176.35 174.29 3dq7 s ASP 19 N 0.15 4.37 0.11 3.68 1.01 -0.58 -1.24 116.67 124.17 3dq7 s ASP 19 Ca -0.09 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 52.96 3dq7 s ASP 19 Cb -0.15 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.05 3dq7 s ASP 19 CO 0.05 0.16 -0.11 -0.83 0.21 0.00 0.00 175.17 174.64 3dq7 s GLY 20 N 0.43 0.96 -0.21 0.21 0.00 0.31 -1.00 107.32 108.01 3dq7 s GLY 20 Ca -0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 3dq7 s GLY 20 CO 0.04 -1.35 0.33 -0.35 0.00 0.00 0.00 173.10 171.77 3dq7 s ASP 21 N -2.59 0.47 -0.18 1.64 -1.08 -0.68 -1.31 116.67 112.95 3dq7 s ASP 21 Ca 0.09 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 3dq7 s ASP 21 Cb -0.02 0.92 0.01 0.00 -1.46 0.00 0.00 42.92 42.36 3dq7 s ASP 21 CO 0.01 -0.29 -0.16 -0.69 0.52 0.00 0.00 175.17 174.56 3dq7 s VAL 22 N 2.48 2.43 -1.57 1.11 1.01 -0.21 -0.18 120.40 125.48 3dq7 s VAL 22 Ca 0.08 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3dq7 s VAL 22 Cb -0.15 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.27 3dq7 s VAL 22 CO -0.14 0.51 0.53 0.59 0.00 0.00 0.00 175.10 176.60 3dq7 n ASN 23 N 4.49 -1.50 0.00 3.32 4.13 -0.28 -0.46 115.26 124.96 3dq7 n ASN 23 Ca -0.20 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.01 3dq7 n ASN 23 Cb 0.51 -2.72 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 3dq7 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dq7 n GLY 24 N -1.78 1.42 3.58 7.41 0.00 -1.26 -4.98 105.19 109.58 3dq7 n GLY 24 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3dq7 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dq7 s HIS 25 N -2.77 2.75 0.12 1.61 3.76 0.39 -5.04 115.29 116.11 3dq7 s HIS 25 Ca 0.00 0.45 -0.23 0.00 -0.15 0.00 0.00 55.06 55.13 3dq7 s HIS 25 Cb 0.00 -4.35 -0.07 0.00 1.11 0.00 0.00 32.58 29.27 3dq7 s HIS 25 CO 0.00 -1.38 0.70 0.15 -0.85 0.00 0.00 174.74 173.36 3dq7 s LYS 26 N 4.47 4.43 0.14 1.40 1.02 -1.26 -1.04 119.74 128.89 3dq7 s LYS 26 Ca 0.42 0.99 -0.15 0.00 0.02 0.00 0.00 55.97 57.25 3dq7 s LYS 26 Cb -0.08 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3dq7 s LYS 26 CO 0.27 0.58 0.40 -0.59 -0.92 0.00 0.00 175.35 175.09 3dq7 s PHE 27 N -1.06 -0.13 0.09 3.18 -0.71 -0.43 -4.97 117.98 113.94 3dq7 s PHE 27 Ca 0.33 -0.20 0.05 0.00 -1.04 0.00 0.00 56.93 56.08 3dq7 s PHE 27 Cb -0.22 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.81 3dq7 s PHE 27 CO 0.23 -0.73 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.13 3dq7 s SER 28 N -2.83 1.72 -0.01 1.98 0.01 -1.26 -0.53 113.70 112.78 3dq7 s SER 28 Ca 0.05 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.63 3dq7 s SER 28 Cb 0.02 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.21 3dq7 s SER 28 CO -0.10 -0.12 -0.03 -0.69 0.41 0.00 0.00 173.24 172.71 3dq7 s VAL 29 N -1.63 0.33 0.05 3.43 1.01 -0.37 -1.17 120.40 122.05 3dq7 s VAL 29 Ca 0.01 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.94 3dq7 s VAL 29 Cb -0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3dq7 s VAL 29 CO 0.02 0.12 -0.15 -0.44 0.00 0.00 0.00 175.10 174.66 3dq7 s SER 30 N 0.26 4.05 0.04 3.32 0.01 -0.40 -0.54 113.70 120.45 3dq7 s SER 30 Ca -0.03 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 56.88 3dq7 s SER 30 Cb -0.06 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 3dq7 s SER 30 CO -0.00 0.24 -0.08 -0.83 0.41 0.00 0.00 173.24 172.97 3dq7 s GLY 31 N -1.62 0.53 0.02 3.44 0.00 0.11 -0.19 107.32 109.61 3dq7 s GLY 31 Ca 0.16 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3dq7 s GLY 31 CO 0.07 -0.79 -0.05 -0.54 0.00 0.00 0.00 173.10 171.80 3dq7 s GLU 32 N -1.47 0.36 0.00 2.90 2.02 -0.65 -0.80 118.70 121.06 3dq7 s GLU 32 Ca -0.08 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.37 3dq7 s GLU 32 Cb -0.09 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.03 3dq7 s GLU 32 CO 0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.71 3dq7 n GLY 33 N 1.88 -0.81 3.39 -1.39 0.00 -0.86 -1.26 105.19 106.14 3dq7 n GLY 33 Ca -0.21 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 3dq7 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dq7 s GLU 34 N -0.56 1.00 0.03 1.61 -1.05 -0.40 -0.60 118.70 118.73 3dq7 s GLU 34 Ca 0.00 -0.17 0.06 0.00 -0.15 0.00 0.00 54.97 54.71 3dq7 s GLU 34 Cb 0.00 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3dq7 s GLU 34 CO 0.00 -0.35 -0.17 0.20 0.95 0.00 0.00 175.26 175.89 3dq7 s GLY 35 N -1.82 0.93 -0.48 -3.83 0.00 -0.25 -1.47 107.32 100.39 3dq7 s GLY 35 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.80 3dq7 s GLY 35 CO 0.00 -0.82 0.35 -0.35 0.00 0.00 0.00 173.10 172.28 3dq7 s ASP 36 N -0.98 2.85 0.55 1.64 -1.08 0.02 -0.45 116.67 119.22 3dq7 s ASP 36 Ca 0.05 -3.10 0.23 0.00 -0.52 0.00 0.00 52.55 49.21 3dq7 s ASP 36 Cb -0.08 -0.85 1.51 0.00 -1.46 0.00 0.00 42.92 42.05 3dq7 s ASP 36 CO 0.01 -0.18 2.18 0.00 0.52 0.00 0.00 175.17 177.70 3dq7 h ALA 37 N 5.92 1.72 -0.27 3.66 0.00 -1.74 -1.14 119.26 127.40 3dq7 h ALA 37 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3dq7 h ALA 37 Cb 0.88 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3dq7 h ALA 37 CO 0.47 0.03 0.21 1.15 0.00 0.00 0.00 179.25 181.11 3dq7 h THR 38 N 0.00 0.77 -0.11 0.00 2.02 -1.85 -1.90 112.91 111.84 3dq7 h THR 38 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3dq7 h THR 38 Cb 0.05 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3dq7 h THR 38 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 3dq7 n TYR 39 N -4.32 0.14 -1.57 3.16 4.01 -0.53 -4.93 117.16 113.13 3dq7 n TYR 39 Ca 0.04 -0.26 -0.10 0.00 -0.16 0.00 0.00 57.90 57.42 3dq7 n TYR 39 Cb 0.37 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 3dq7 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dq7 n GLY 40 N 0.23 0.77 3.64 2.72 0.00 -0.63 -4.73 105.19 107.19 3dq7 n GLY 40 Ca 0.05 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 3dq7 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq7 s LYS 41 N -3.35 3.53 -0.01 1.61 2.20 -0.75 -0.22 119.74 122.75 3dq7 s LYS 41 Ca 0.00 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 3dq7 s LYS 41 Cb 0.00 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.31 3dq7 s LYS 41 CO 0.00 0.45 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.77 3dq7 s LEU 42 N -0.17 2.03 -0.09 5.43 1.02 -0.20 -0.80 118.68 125.90 3dq7 s LEU 42 Ca 0.06 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 53.91 3dq7 s LEU 42 Cb -0.12 -0.81 0.03 0.00 0.02 0.00 0.00 46.19 45.31 3dq7 s LEU 42 CO 0.02 0.19 0.00 -0.89 0.02 0.00 0.00 176.35 175.69 3dq7 s THR 43 N -0.37 0.43 0.03 5.49 2.01 -0.54 -1.24 115.64 121.45 3dq7 s THR 43 Ca 0.06 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3dq7 s THR 43 Cb -0.06 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 3dq7 s THR 43 CO -0.01 0.19 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.32 3dq7 s LEU 44 N 1.94 2.30 -0.10 4.42 1.43 -0.25 -1.27 118.68 127.15 3dq7 s LEU 44 Ca 0.04 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3dq7 s LEU 44 Cb -0.13 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.19 3dq7 s LEU 44 CO -0.06 -0.36 -0.12 -0.75 0.23 0.00 0.00 176.35 175.30 3dq7 s LYS 45 N -2.08 1.82 -0.06 1.70 2.20 -0.39 -0.79 119.74 122.14 3dq7 s LYS 45 Ca -0.09 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 3dq7 s LYS 45 Cb -0.06 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.59 3dq7 s LYS 45 CO -0.03 -0.12 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.72 3dq7 s PHE 46 N 1.17 2.95 -0.07 4.03 0.08 0.04 -1.64 117.98 124.54 3dq7 s PHE 46 Ca -0.04 0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.07 3dq7 s PHE 46 Cb -0.14 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3dq7 s PHE 46 CO -0.03 0.35 -0.17 0.42 -0.10 0.00 0.00 175.22 175.69 3dq7 s ILE 47 N -0.84 1.46 -0.18 0.64 1.01 0.73 -1.09 121.20 122.93 3dq7 s ILE 47 Ca 0.13 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 3dq7 s ILE 47 Cb -0.11 -1.29 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 3dq7 s ILE 47 CO 0.02 0.43 1.14 0.00 0.00 0.00 0.00 174.94 176.53 3dq7 n THR 49 N 5.21 0.36 0.13 0.00 -2.24 -0.32 -3.88 114.28 113.54 3dq7 n THR 49 Ca 0.12 -0.59 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 3dq7 n THR 49 Cb 0.46 0.81 0.09 0.00 -2.10 0.00 0.00 70.33 69.60 3dq7 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dq7 n THR 50 N 1.08 0.51 0.00 4.28 -2.24 -1.25 -4.95 114.28 111.70 3dq7 n THR 50 Ca 0.18 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3dq7 n THR 50 Cb 0.51 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3dq7 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dq7 n GLY 51 N 0.52 0.37 3.75 3.38 0.00 -1.25 -5.00 105.19 106.96 3dq7 n GLY 51 Ca 0.08 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3dq7 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq7 s LYS 52 N 0.00 4.43 0.12 1.61 2.20 -1.26 -4.46 119.74 122.39 3dq7 s LYS 52 Ca 0.00 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 3dq7 s LYS 52 Cb 0.00 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 3dq7 s LYS 52 CO 0.00 0.31 1.23 -1.17 -0.36 0.00 0.00 175.35 175.36 3dq7 s LEU 53 N -0.09 4.41 0.00 5.43 2.96 -1.26 -4.90 118.68 125.23 3dq7 s LEU 53 Ca 0.36 2.16 0.25 0.00 -0.22 0.00 0.00 54.13 56.68 3dq7 s LEU 53 Cb -0.20 -3.59 1.16 0.00 0.50 0.00 0.00 46.19 44.06 3dq7 s LEU 53 CO 0.21 -0.45 1.78 -0.81 -1.32 0.00 0.00 176.35 175.76 3dq7 n PRO 54 N 3.29 1.41 -4.30 0.98 -0.04 -1.26 -4.76 135.00 130.32 3dq7 n PRO 54 Ca 0.07 -0.61 -0.16 0.00 -0.04 0.00 0.00 63.50 62.77 3dq7 n PRO 54 Cb 0.45 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3dq7 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dq7 s VAL 55 N -1.94 0.93 0.25 0.52 -7.23 -1.26 -4.70 120.40 106.97 3dq7 s VAL 55 Ca 0.36 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 3dq7 s VAL 55 Cb 0.19 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 3dq7 s VAL 55 CO 0.30 -0.39 1.32 -2.84 -0.31 0.00 0.00 175.10 173.17 3dq7 s PRO 56 N -3.87 4.38 0.38 4.82 0.02 -1.26 -4.93 135.00 134.53 3dq7 s PRO 56 Ca 0.26 2.12 0.07 0.00 0.02 0.00 0.00 61.00 63.48 3dq7 s PRO 56 Cb 0.06 -3.15 0.79 0.00 0.02 0.00 0.00 34.50 32.22 3dq7 s PRO 56 CO 0.07 -0.23 1.98 -1.49 -0.33 0.00 0.00 177.00 177.00 3dq7 h TRP 57 N 4.68 0.68 -0.10 6.54 4.06 -1.96 -0.80 115.95 129.05 3dq7 h TRP 57 Ca -0.46 0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.53 3dq7 h TRP 57 Cb 1.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3dq7 h TRP 57 CO 0.60 0.37 0.09 -1.35 -3.56 0.00 0.00 178.44 174.59 3dq7 h PRO 58 N 0.68 0.00 0.00 0.49 0.11 -1.90 -0.42 132.00 130.97 3dq7 h PRO 58 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3dq7 h PRO 58 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3dq7 h PRO 58 CO -0.08 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.96 3dq7 n THR 59 N -4.04 0.77 0.91 -1.15 -2.24 -0.31 -2.83 114.28 105.38 3dq7 n THR 59 Ca -0.01 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 3dq7 n THR 59 Cb 0.20 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.52 3dq7 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dq7 n LEU 60 N -1.58 1.81 -0.05 3.22 4.77 -0.17 -4.64 117.00 120.35 3dq7 n LEU 60 Ca 0.04 -0.74 -0.09 0.00 -0.03 0.00 0.00 56.01 55.20 3dq7 n LEU 60 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3dq7 n LEU 60 CO 0.17 0.34 0.93 0.58 -1.33 0.00 0.00 177.39 178.09 3dq7 h VAL 61 N 2.01 0.98 0.00 4.08 2.07 -1.53 -0.90 116.25 122.96 3dq7 h VAL 61 Ca 0.00 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3dq7 h VAL 61 Cb 0.67 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3dq7 h VAL 61 CO 0.00 0.04 -0.34 0.71 0.02 0.00 0.00 177.57 178.00 3dq7 h THR 62 N 0.22 1.22 -0.17 2.57 1.35 -1.82 -2.93 112.91 113.36 3dq7 h THR 62 Ca 0.10 -1.18 -0.18 0.00 -0.55 0.00 0.00 66.41 64.60 3dq7 h THR 62 Cb 0.04 1.64 0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3dq7 h THR 62 CO -0.08 0.33 -0.60 0.74 -0.25 0.00 0.00 175.52 175.66 3dq7 h THR 63 N 0.00 1.31 0.00 6.82 2.02 -1.65 -3.45 112.91 117.96 3dq7 h THR 63 Ca -0.00 -1.83 -0.39 0.00 0.77 0.00 0.00 66.41 64.95 3dq7 h THR 63 Cb 0.61 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3dq7 h THR 63 CO 0.04 0.57 2.39 0.49 0.37 0.00 0.00 175.52 179.38 3dq7 n PHE 64 N -4.09 1.33 0.00 3.16 3.72 -0.42 -5.06 117.46 116.10 3dq7 n PHE 64 Ca -0.07 -2.01 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 3dq7 n PHE 64 Cb 0.65 -1.74 0.00 0.00 -0.94 0.00 0.00 39.48 37.45 3dq7 n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dq7 n LEU 68 N 3.82 0.00 0.12 4.37 4.77 -1.26 -5.04 117.00 123.78 3dq7 n LEU 68 Ca 0.48 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 3dq7 n LEU 68 Cb 0.23 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.80 3dq7 n LEU 68 CO 0.64 0.00 0.85 0.23 -1.33 0.00 0.00 177.39 177.78 3dq7 n MET 69 N 0.00 0.19 0.12 3.23 2.81 -1.26 -1.36 117.12 120.85 3dq7 n MET 69 Ca 0.00 0.40 0.10 0.00 -1.81 0.00 0.00 57.70 56.39 3dq7 n MET 69 Cb 0.00 -1.85 0.47 0.00 -0.71 0.00 0.00 33.22 31.13 3dq7 n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dq7 n PHE 71 N -2.12 0.70 -1.77 0.00 3.72 -0.46 -4.71 117.46 112.82 3dq7 n PHE 71 Ca 0.01 -0.35 -0.38 0.00 -0.05 0.00 0.00 57.45 56.68 3dq7 n PHE 71 Cb 0.12 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3dq7 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dq7 s ALA 72 N -1.30 2.57 -0.40 4.37 0.00 -0.69 -4.10 121.76 122.20 3dq7 s ALA 72 Ca 0.39 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 53.42 3dq7 s ALA 72 Cb 0.21 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3dq7 s ALA 72 CO 0.27 -1.49 0.56 0.50 0.00 0.00 0.00 175.76 175.60 3dq7 s ARG 73 N -3.18 3.36 -0.24 0.00 3.52 0.01 -4.76 118.95 117.66 3dq7 s ARG 73 Ca 0.78 -0.38 -0.18 0.00 -0.13 0.00 0.00 55.73 55.82 3dq7 s ARG 73 Cb -0.39 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.07 3dq7 s ARG 73 CO 0.43 -0.86 0.51 0.71 -0.81 0.00 0.00 175.30 175.28 3dq7 s TYR 74 N 2.54 3.31 0.71 5.12 1.51 -1.26 -0.73 117.35 128.55 3dq7 s TYR 74 Ca 0.19 0.69 -0.16 0.00 -1.01 0.00 0.00 57.07 56.78 3dq7 s TYR 74 Cb -0.15 -2.69 0.01 0.00 -0.11 0.00 0.00 41.96 39.02 3dq7 s TYR 74 CO 0.16 -0.20 1.09 -2.30 -1.11 0.00 0.00 175.55 173.19 3dq7 n PRO 75 N 5.22 0.61 -0.34 -1.71 -0.02 -1.26 -4.74 135.00 132.75 3dq7 n PRO 75 Ca -0.04 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.84 3dq7 n PRO 75 Cb 0.50 -2.33 0.34 0.00 -0.02 0.00 0.00 33.50 31.99 3dq7 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dq7 h ASP 76 N -0.15 0.74 0.41 2.55 3.58 -2.00 0.30 116.42 121.85 3dq7 h ASP 76 Ca -0.48 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3dq7 h ASP 76 Cb 1.33 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3dq7 h ASP 76 CO 0.48 0.27 0.00 0.00 -2.88 0.00 0.00 179.24 177.11 3dq7 n HIS 77 N -4.73 0.00 -0.07 0.28 1.44 -1.26 -2.66 115.22 108.22 3dq7 n HIS 77 Ca 0.23 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.97 3dq7 n HIS 77 Cb 0.59 -0.39 0.08 0.00 0.12 0.00 0.00 29.99 30.39 3dq7 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dq7 n MET 78 N -1.39 2.66 0.21 -1.40 2.81 0.11 -4.74 117.12 115.38 3dq7 n MET 78 Ca 0.06 -1.73 0.06 0.00 -1.81 0.00 0.00 57.70 54.27 3dq7 n MET 78 Cb 0.15 -1.15 0.54 0.00 -0.71 0.00 0.00 33.22 32.05 3dq7 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dq7 h LYS 79 N 1.17 0.07 0.00 0.03 1.79 -1.33 -0.53 116.57 117.76 3dq7 h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dq7 h LYS 79 Cb 0.60 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3dq7 h LYS 79 CO 0.00 0.14 0.00 1.04 -1.08 0.00 0.00 179.45 179.55 3dq7 n GLN 80 N -4.42 0.17 -0.15 3.15 6.02 -1.26 -2.82 117.38 118.07 3dq7 n GLN 80 Ca -0.02 0.10 0.05 0.00 -0.01 0.00 0.00 57.00 57.12 3dq7 n GLN 80 Cb 0.17 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.06 3dq7 n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dq7 n HIS 81 N -1.13 0.40 -3.02 1.08 8.25 -0.21 -4.69 115.22 115.90 3dq7 n HIS 81 Ca 0.05 -0.49 -0.44 0.00 -0.26 0.00 0.00 57.72 56.57 3dq7 n HIS 81 Cb 0.04 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 3dq7 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dq7 s ASP 82 N -1.00 6.90 0.22 0.41 -1.08 -1.13 -4.56 116.67 116.44 3dq7 s ASP 82 Ca 0.20 -2.67 -0.07 0.00 -0.52 0.00 0.00 52.55 49.49 3dq7 s ASP 82 Cb 0.11 -2.36 0.18 0.00 -1.46 0.00 0.00 42.92 39.39 3dq7 s ASP 82 CO 0.14 -0.80 1.78 0.15 0.52 0.00 0.00 175.17 176.97 3dq7 h PHE 83 N 7.80 1.20 -0.14 -5.34 3.57 -1.90 -3.13 116.94 118.99 3dq7 h PHE 83 Ca 0.22 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3dq7 h PHE 83 Cb 0.95 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3dq7 h PHE 83 CO 1.08 0.91 0.06 0.74 -2.23 0.00 0.00 178.31 178.87 3dq7 h PHE 84 N 1.14 0.20 0.00 0.41 0.04 -1.88 -1.46 116.94 115.39 3dq7 h PHE 84 Ca 0.26 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 3dq7 h PHE 84 Cb 0.22 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3dq7 h PHE 84 CO 0.02 0.27 -0.36 0.87 -0.60 0.00 0.00 178.31 178.51 3dq7 h LYS 85 N 0.08 0.00 0.00 1.51 1.57 -1.84 -3.15 116.57 114.74 3dq7 h LYS 85 Ca 0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3dq7 h LYS 85 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3dq7 h LYS 85 CO -0.00 0.36 -0.33 0.66 -0.57 0.00 0.00 179.45 179.56 3dq7 h SER 86 N 0.00 0.00 0.68 0.86 4.64 -1.23 -1.37 113.55 117.14 3dq7 h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dq7 h SER 86 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3dq7 h SER 86 CO 0.05 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 3dq7 n ALA 87 N -2.29 2.22 -2.24 5.18 0.00 -0.90 -4.72 120.51 117.77 3dq7 n ALA 87 Ca -0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 3dq7 n ALA 87 Cb 0.47 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 3dq7 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dq7 s MET 88 N -2.79 3.73 0.00 0.00 1.00 -0.52 -0.22 119.30 120.50 3dq7 s MET 88 Ca 0.18 0.37 0.27 0.00 0.00 0.00 0.00 55.69 56.51 3dq7 s MET 88 Cb 0.17 -2.42 0.85 0.00 0.00 0.00 0.00 34.83 33.42 3dq7 s MET 88 CO 0.43 -0.03 1.63 -0.35 0.00 0.00 0.00 175.02 176.70 3dq7 n PRO 89 N -1.38 0.42 0.16 2.03 -0.04 -1.26 -4.60 135.00 130.34 3dq7 n PRO 89 Ca 0.02 -0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3dq7 n PRO 89 Cb 0.54 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 3dq7 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dq7 h GLU 90 N 0.50 0.00 0.00 0.54 3.07 -1.91 -2.83 114.58 113.94 3dq7 h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dq7 h GLU 90 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3dq7 h GLU 90 CO 0.00 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.51 3dq7 n GLY 91 N 0.02 -1.10 3.15 -3.84 0.00 0.69 -4.63 105.19 99.47 3dq7 n GLY 91 Ca -0.01 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 3dq7 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dq7 s TYR 92 N 0.00 0.24 -0.15 1.61 -0.85 -0.37 -0.94 117.35 116.89 3dq7 s TYR 92 Ca 0.00 -0.65 -0.17 0.00 -0.52 0.00 0.00 57.07 55.73 3dq7 s TYR 92 Cb 0.00 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 3dq7 s TYR 92 CO 0.00 -0.44 0.45 0.08 -1.52 0.00 0.00 175.55 174.11 3dq7 s VAL 93 N -3.39 5.19 -0.25 -3.49 1.01 0.34 -0.56 120.40 119.26 3dq7 s VAL 93 Ca 0.02 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 3dq7 s VAL 93 Cb 0.03 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3dq7 s VAL 93 CO -0.08 0.30 -0.06 -1.58 0.00 0.00 0.00 175.10 173.67 3dq7 s GLN 94 N 0.87 2.76 0.05 2.72 0.74 0.21 -1.46 119.66 125.55 3dq7 s GLN 94 Ca 0.23 -1.03 0.08 0.00 0.05 0.00 0.00 55.36 54.69 3dq7 s GLN 94 Cb -0.15 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 3dq7 s GLN 94 CO 0.09 -0.43 -0.20 -1.21 -0.55 0.00 0.00 175.29 172.99 3dq7 s GLU 95 N 1.30 1.98 0.04 1.67 2.02 -0.03 -0.78 118.70 124.89 3dq7 s GLU 95 Ca -0.01 -1.03 -0.04 0.00 0.02 0.00 0.00 54.97 53.91 3dq7 s GLU 95 Cb -0.17 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 3dq7 s GLU 95 CO -0.04 0.53 0.05 1.03 0.02 0.00 0.00 175.26 176.84 3dq7 s ARG 96 N -1.48 0.54 -0.06 1.61 0.52 -0.42 -1.09 118.95 118.57 3dq7 s ARG 96 Ca 0.14 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 3dq7 s ARG 96 Cb -0.10 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.56 3dq7 s ARG 96 CO 0.05 -0.12 -0.23 0.99 0.02 0.00 0.00 175.30 176.01 3dq7 s THR 97 N -2.65 2.23 -0.25 0.02 2.01 -0.64 -0.45 115.64 115.91 3dq7 s THR 97 Ca -0.05 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.96 3dq7 s THR 97 Cb -0.01 -1.82 0.04 0.00 0.01 0.00 0.00 72.50 70.72 3dq7 s THR 97 CO -0.05 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.72 3dq7 s ILE 98 N -0.16 2.46 -0.37 1.82 1.01 0.70 -1.08 121.20 125.59 3dq7 s ILE 98 Ca -0.03 -1.34 -0.15 0.00 0.00 0.00 0.00 60.65 59.13 3dq7 s ILE 98 Cb -0.14 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 3dq7 s ILE 98 CO 0.04 0.10 0.36 -0.36 0.00 0.00 0.00 174.94 175.08 3dq7 s PHE 99 N 1.21 3.21 -0.35 3.97 0.08 0.37 -0.98 117.98 125.49 3dq7 s PHE 99 Ca -0.04 -0.18 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 3dq7 s PHE 99 Cb -0.18 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.60 3dq7 s PHE 99 CO -0.05 -0.50 1.06 -0.06 -0.10 0.00 0.00 175.22 175.57 3dq7 s PHE 100 N 1.97 3.10 0.26 0.36 0.40 -0.43 -0.83 117.98 122.81 3dq7 s PHE 100 Ca 0.10 1.08 -0.31 0.00 -0.60 0.00 0.00 56.93 57.21 3dq7 s PHE 100 Cb -0.17 -3.78 -0.13 0.00 0.51 0.00 0.00 43.02 39.45 3dq7 s PHE 100 CO 0.12 -0.84 1.49 1.17 0.70 0.00 0.00 175.22 177.86 3dq7 n LYS 101 N 6.99 2.34 -1.76 0.44 3.00 -0.47 -0.22 118.16 128.48 3dq7 n LYS 101 Ca 0.11 0.83 -0.17 0.00 -0.00 0.00 0.00 58.31 59.09 3dq7 n LYS 101 Cb 0.47 -2.55 -0.05 0.00 0.00 0.00 0.00 35.03 32.91 3dq7 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dq7 n ASP 102 N 2.17 -4.60 -0.10 3.14 8.00 -1.26 -4.81 116.55 119.09 3dq7 n ASP 102 Ca 0.10 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.92 3dq7 n ASP 102 Cb 0.34 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 3dq7 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dq7 n ASP 103 N -1.20 0.00 -2.41 -2.24 -0.08 0.70 -4.93 116.55 106.39 3dq7 n ASP 103 Ca -0.18 -0.10 -0.06 0.00 -1.51 0.00 0.00 54.79 52.94 3dq7 n ASP 103 Cb 0.58 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.08 3dq7 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dq7 n GLY 104 N 0.00 -1.34 3.10 0.27 0.00 -1.10 -4.55 105.19 101.58 3dq7 n GLY 104 Ca 0.00 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 3dq7 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dq7 s ASN 105 N -1.98 1.09 -0.04 1.61 2.20 -0.48 -1.32 114.94 116.03 3dq7 s ASN 105 Ca 0.15 -0.63 -0.03 0.00 -0.94 0.00 0.00 52.86 51.42 3dq7 s ASN 105 Cb -0.00 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.23 3dq7 s ASN 105 CO 0.11 -0.21 0.11 -0.31 -2.94 0.00 0.00 177.10 173.86 3dq7 s TYR 106 N -1.65 3.41 -0.10 1.54 2.02 -0.15 -1.46 117.35 120.96 3dq7 s TYR 106 Ca -0.05 0.32 0.04 0.00 -0.37 0.00 0.00 57.07 57.00 3dq7 s TYR 106 Cb -0.08 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 3dq7 s TYR 106 CO 0.00 0.61 -0.22 0.15 -1.57 0.00 0.00 175.55 174.52 3dq7 s LYS 107 N -1.54 2.89 0.03 -0.62 1.02 0.11 -0.22 119.74 121.43 3dq7 s LYS 107 Ca 0.21 -0.82 0.06 0.00 0.02 0.00 0.00 55.97 55.44 3dq7 s LYS 107 Cb -0.12 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3dq7 s LYS 107 CO 0.12 0.13 -0.18 0.95 -0.92 0.00 0.00 175.35 175.45 3dq7 s THR 108 N 0.45 1.44 -0.07 2.17 -4.23 0.41 -1.15 115.64 114.66 3dq7 s THR 108 Ca -0.17 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3dq7 s THR 108 Cb -0.17 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.43 3dq7 s THR 108 CO 0.07 0.16 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.64 3dq7 s ARG 109 N -1.06 1.25 0.06 3.99 3.52 -0.42 -1.30 118.95 125.00 3dq7 s ARG 109 Ca 0.05 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.51 3dq7 s ARG 109 Cb -0.08 -1.22 -0.03 0.00 -1.56 0.00 0.00 34.95 32.06 3dq7 s ARG 109 CO 0.01 -0.12 -0.18 0.00 -0.81 0.00 0.00 175.30 174.20 3dq7 s ALA 110 N 1.17 1.51 -0.15 6.12 0.00 0.04 -0.96 121.76 129.48 3dq7 s ALA 110 Ca -0.06 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3dq7 s ALA 110 Cb -0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 3dq7 s ALA 110 CO -0.02 0.30 -0.14 -1.21 0.00 0.00 0.00 175.76 174.69 3dq7 s GLU 111 N -1.48 3.24 -0.27 0.00 2.02 -0.45 -0.62 118.70 121.15 3dq7 s GLU 111 Ca 0.04 -0.74 -0.03 0.00 0.02 0.00 0.00 54.97 54.26 3dq7 s GLU 111 Cb -0.09 -2.64 0.02 0.00 0.10 0.00 0.00 34.13 31.52 3dq7 s GLU 111 CO 0.02 0.03 -0.00 0.08 0.02 0.00 0.00 175.26 175.41 3dq7 s VAL 112 N 0.79 3.27 0.15 2.63 1.01 0.28 -1.65 120.40 126.89 3dq7 s VAL 112 Ca -0.05 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 3dq7 s VAL 112 Cb -0.15 -2.70 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3dq7 s VAL 112 CO 0.00 0.12 0.72 -1.59 0.00 0.00 0.00 175.10 174.35 3dq7 s LYS 113 N 1.38 1.30 0.15 2.72 -2.85 -0.61 -1.24 119.74 120.58 3dq7 s LYS 113 Ca 0.00 -0.58 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 3dq7 s LYS 113 Cb -0.17 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.06 3dq7 s LYS 113 CO -0.02 -0.58 0.99 -0.06 0.10 0.00 0.00 175.35 175.78 3dq7 s PHE 114 N -3.62 3.79 -0.42 1.78 0.08 -1.07 -0.71 117.98 117.82 3dq7 s PHE 114 Ca 0.05 1.77 0.02 0.00 0.12 0.00 0.00 56.93 58.90 3dq7 s PHE 114 Cb -0.02 -3.09 0.11 0.00 -0.57 0.00 0.00 43.02 39.45 3dq7 s PHE 114 CO -0.06 0.06 0.16 -1.21 -0.10 0.00 0.00 175.22 174.08 3dq7 s GLU 115 N -0.27 1.79 6.83 0.44 0.41 0.39 -4.92 118.70 123.36 3dq7 s GLU 115 Ca 0.47 -2.08 0.00 0.00 -0.41 0.00 0.00 54.97 52.94 3dq7 s GLU 115 Cb -0.25 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.74 3dq7 s GLU 115 CO 0.31 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.47 3dq7 n GLY 116 N 4.01 2.76 0.02 -1.39 0.00 -1.26 -2.04 105.19 107.29 3dq7 n GLY 116 Ca 0.03 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.88 3dq7 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dq7 n ASP 117 N 3.96 0.10 -4.75 1.61 8.00 -1.26 -4.86 116.55 119.35 3dq7 n ASP 117 Ca 0.00 -0.12 -0.35 0.00 0.71 0.00 0.00 54.79 55.03 3dq7 n ASP 117 Cb 0.00 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 3dq7 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dq7 s THR 118 N -2.64 5.42 -0.20 -3.53 2.01 -0.86 -4.35 115.64 111.48 3dq7 s THR 118 Ca 0.26 0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.23 3dq7 s THR 118 Cb 0.20 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 3dq7 s THR 118 CO 0.48 0.46 0.68 -0.22 -0.69 0.00 0.00 174.62 175.34 3dq7 s LEU 119 N 0.18 4.14 -0.08 4.42 1.98 0.21 -0.46 118.68 129.07 3dq7 s LEU 119 Ca 0.09 0.91 -0.00 0.00 -2.89 0.00 0.00 54.13 52.23 3dq7 s LEU 119 Cb -0.11 -2.98 -0.03 0.00 0.66 0.00 0.00 46.19 43.73 3dq7 s LEU 119 CO -0.01 -0.32 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.39 3dq7 s VAL 120 N 2.06 3.84 -0.35 1.68 1.01 0.12 -1.23 120.40 127.53 3dq7 s VAL 120 Ca 0.31 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.90 3dq7 s VAL 120 Cb -0.16 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.73 3dq7 s VAL 120 CO 0.10 0.59 0.08 0.21 0.00 0.00 0.00 175.10 176.08 3dq7 s ASN 121 N -0.70 4.54 -0.28 3.32 2.47 -0.04 -1.58 114.94 122.66 3dq7 s ASN 121 Ca 0.11 -2.10 -0.10 0.00 0.42 0.00 0.00 52.86 51.18 3dq7 s ASN 121 Cb -0.11 -1.44 -0.04 0.00 -1.45 0.00 0.00 41.25 38.21 3dq7 s ASN 121 CO 0.02 -0.38 0.17 -0.13 -3.72 0.00 0.00 177.10 173.06 3dq7 s ARG 122 N 0.98 3.79 0.07 0.43 0.52 -0.66 -1.39 118.95 122.69 3dq7 s ARG 122 Ca 0.11 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 3dq7 s ARG 122 Cb -0.19 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3dq7 s ARG 122 CO -0.11 -0.24 -0.21 0.42 0.02 0.00 0.00 175.30 175.18 3dq7 s ILE 123 N 1.72 1.68 -0.09 1.52 1.01 0.77 -1.34 121.20 126.47 3dq7 s ILE 123 Ca 0.07 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.41 3dq7 s ILE 123 Cb -0.16 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 3dq7 s ILE 123 CO 0.09 0.08 -0.23 -1.61 0.00 0.00 0.00 174.94 173.27 3dq7 s GLU 124 N -1.51 2.85 -0.04 2.79 2.02 -0.13 -1.53 118.70 123.15 3dq7 s GLU 124 Ca 0.07 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3dq7 s GLU 124 Cb -0.09 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 31.93 3dq7 s GLU 124 CO 0.03 0.21 -0.17 -1.17 0.02 0.00 0.00 175.26 174.18 3dq7 s LEU 125 N 0.26 1.92 -0.08 1.80 0.20 -0.17 -1.31 118.68 121.31 3dq7 s LEU 125 Ca -0.16 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.33 3dq7 s LEU 125 Cb -0.17 -0.96 0.01 0.00 -0.43 0.00 0.00 46.19 44.64 3dq7 s LEU 125 CO 0.08 0.16 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.63 3dq7 s LYS 126 N 0.02 1.73 0.05 1.98 -0.14 -0.30 -1.68 119.74 121.40 3dq7 s LYS 126 Ca -0.03 -0.41 0.09 0.00 -1.36 0.00 0.00 55.97 54.26 3dq7 s LYS 126 Cb -0.11 -1.48 -0.03 0.00 -1.68 0.00 0.00 37.83 34.53 3dq7 s LYS 126 CO 0.02 -0.02 -0.25 0.20 -0.76 0.00 0.00 175.35 174.54 3dq7 s GLY 127 N 0.83 1.37 0.05 -3.33 0.00 0.74 0.06 107.32 107.04 3dq7 s GLY 127 Ca -0.11 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.36 3dq7 s GLY 127 CO 0.02 -1.15 -0.05 -0.26 0.00 0.00 0.00 173.10 171.66 3dq7 s ILE 128 N -0.82 0.38 -1.14 0.90 -4.36 -0.54 -1.13 121.20 114.49 3dq7 s ILE 128 Ca 0.11 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3dq7 s ILE 128 Cb -0.10 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.50 3dq7 s ILE 128 CO 0.02 -0.74 0.00 0.47 0.24 0.00 0.00 174.94 174.93 3dq7 n ASP 129 N 0.65 -4.10 -4.83 4.36 8.00 -1.26 -1.38 116.55 117.99 3dq7 n ASP 129 Ca -0.17 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.02 3dq7 n ASP 129 Cb 0.58 -3.23 -0.06 0.00 -0.02 0.00 0.00 41.12 38.39 3dq7 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dq7 s PHE 130 N -2.62 3.41 -0.08 1.24 0.08 -1.26 -2.71 117.98 116.04 3dq7 s PHE 130 Ca 0.00 1.45 -0.22 0.00 0.12 0.00 0.00 56.93 58.27 3dq7 s PHE 130 Cb 0.00 -2.71 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 3dq7 s PHE 130 CO 0.00 0.05 0.65 0.15 -0.10 0.00 0.00 175.22 175.97 3dq7 s LYS 131 N -2.86 4.41 0.47 0.44 1.02 -1.26 -4.90 119.74 117.05 3dq7 s LYS 131 Ca 0.56 0.78 0.24 0.00 0.02 0.00 0.00 55.97 57.57 3dq7 s LYS 131 Cb -0.11 -3.45 1.27 0.00 -0.52 0.00 0.00 37.83 35.02 3dq7 s LYS 131 CO 0.17 0.07 1.85 0.93 -0.92 0.00 0.00 175.35 177.45 3dq7 h GLU 132 N 6.78 0.22 -0.13 1.68 4.39 -1.96 -2.17 114.58 123.38 3dq7 h GLU 132 Ca -0.41 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3dq7 h GLU 132 Cb 1.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3dq7 h GLU 132 CO 0.76 0.14 0.00 -0.40 -1.16 0.00 0.00 179.01 178.35 3dq7 n ASP 133 N -4.42 2.95 -3.00 1.42 5.68 -1.26 -3.82 116.55 114.10 3dq7 n ASP 133 Ca 0.20 -2.85 -0.14 0.00 -0.50 0.00 0.00 54.79 51.51 3dq7 n ASP 133 Cb 0.87 -0.41 0.09 0.00 -1.14 0.00 0.00 41.12 40.53 3dq7 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dq7 n GLY 134 N -0.81 -0.95 0.26 6.12 0.00 -0.82 -4.74 105.19 104.25 3dq7 n GLY 134 Ca 0.16 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.57 3dq7 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dq7 h ASN 135 N -0.76 0.00 0.00 1.61 2.35 -1.94 -0.41 115.58 116.42 3dq7 h ASN 135 Ca -0.20 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 3dq7 h ASN 135 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3dq7 h ASN 135 CO 0.15 0.12 -0.56 0.40 -1.65 0.00 0.00 177.43 175.89 3dq7 h ILE 136 N 0.00 0.27 0.00 2.81 5.03 -1.93 -0.96 117.51 122.73 3dq7 h ILE 136 Ca -0.00 -1.30 0.00 0.00 -0.12 0.00 0.00 64.86 63.44 3dq7 h ILE 136 Cb 0.49 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 3dq7 h ILE 136 CO 0.02 0.09 0.00 -0.07 -0.68 0.00 0.00 178.15 177.51 3dq7 h LEU 137 N -1.00 0.00 0.00 1.44 3.38 -1.74 -2.38 115.31 115.01 3dq7 h LEU 137 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dq7 h LEU 137 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dq7 h LEU 137 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 3dq7 n GLY 138 N 0.96 -1.21 3.57 0.83 0.00 -0.16 -4.93 105.19 104.25 3dq7 n GLY 138 Ca 0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 3dq7 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dq7 n HIS 139 N -1.46 -2.11 0.12 1.61 8.25 -0.89 -4.90 115.22 115.84 3dq7 n HIS 139 Ca 0.06 0.61 0.06 0.00 -0.26 0.00 0.00 57.72 58.20 3dq7 n HIS 139 Cb 0.24 -3.51 0.11 0.00 1.12 0.00 0.00 29.99 27.95 3dq7 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dq7 n LYS 140 N -3.62 1.88 -3.73 -0.41 5.02 -0.37 -4.99 118.16 111.95 3dq7 n LYS 140 Ca -0.10 -1.70 -0.36 0.00 -2.02 0.00 0.00 58.31 54.12 3dq7 n LYS 140 Cb 0.59 -1.26 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 3dq7 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dq7 s LEU 141 N -1.00 4.40 0.49 -0.35 1.43 -1.25 -4.29 118.68 118.11 3dq7 s LEU 141 Ca 0.20 0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 3dq7 s LEU 141 Cb 0.12 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 3dq7 s LEU 141 CO 0.16 0.32 1.17 -1.61 0.23 0.00 0.00 176.35 176.62 3dq7 s GLU 142 N -1.38 3.58 -1.33 1.70 2.02 -0.68 -4.91 118.70 117.71 3dq7 s GLU 142 Ca 0.23 1.77 -0.16 0.00 0.02 0.00 0.00 54.97 56.83 3dq7 s GLU 142 Cb -0.14 -2.28 0.08 0.00 0.10 0.00 0.00 34.13 31.90 3dq7 s GLU 142 CO 0.12 -0.70 1.85 0.98 0.02 0.00 0.00 175.26 177.53 3dq7 n TYR 143 N -0.77 4.25 -3.82 1.61 9.36 -1.26 -4.83 117.16 121.69 3dq7 n TYR 143 Ca 0.09 -2.95 -0.08 0.00 3.32 0.00 0.00 57.90 58.28 3dq7 n TYR 143 Cb 0.49 -2.49 0.02 0.00 -0.63 0.00 0.00 39.34 36.73 3dq7 n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3dq7 s ASN 144 N 3.45 0.01 -0.23 2.98 2.20 -1.26 -4.88 114.94 117.22 3dq7 s ASN 144 Ca 0.49 -1.09 -0.18 0.00 -0.94 0.00 0.00 52.86 51.14 3dq7 s ASN 144 Cb 0.06 0.81 0.06 0.00 -2.00 0.00 0.00 41.25 40.18 3dq7 s ASN 144 CO 0.01 -1.60 0.59 -0.47 -2.94 0.00 0.00 177.10 172.69 3dq7 s TYR 145 N -2.24 -0.74 0.34 1.54 5.04 -1.26 -4.89 117.35 115.14 3dq7 s TYR 145 Ca 0.17 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.44 3dq7 s TYR 145 Cb -0.05 0.32 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 3dq7 s TYR 145 CO 0.11 -0.37 0.58 -0.80 -1.34 0.00 0.00 175.55 173.73 3dq7 s ASN 146 N 0.78 6.36 0.42 4.32 0.01 -1.26 -4.69 114.94 120.87 3dq7 s ASN 146 Ca -0.04 0.63 -0.23 0.00 -0.71 0.00 0.00 52.86 52.51 3dq7 s ASN 146 Cb -0.05 -2.11 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 3dq7 s ASN 146 CO -0.06 -0.28 1.04 -0.44 -1.51 0.00 0.00 177.10 175.84 3dq7 s SER 147 N -3.64 6.70 -0.06 -1.22 0.01 -1.26 -4.60 113.70 109.62 3dq7 s SER 147 Ca 0.43 1.99 -0.09 0.00 1.31 0.00 0.00 55.95 59.58 3dq7 s SER 147 Cb -0.10 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3dq7 s SER 147 CO 0.34 -0.53 0.23 -1.00 0.41 0.00 0.00 173.24 172.69 3dq7 s HIS 148 N -1.75 -0.19 -0.12 2.43 3.76 -0.76 -5.00 115.29 113.66 3dq7 s HIS 148 Ca 0.60 0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 55.87 3dq7 s HIS 148 Cb -0.20 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 3dq7 s HIS 148 CO 0.25 -0.20 0.15 -0.80 -0.85 0.00 0.00 174.74 173.29 3dq7 s ASN 149 N -0.40 6.40 -0.17 1.40 0.02 -1.26 -0.73 114.94 120.21 3dq7 s ASN 149 Ca -0.05 0.48 -0.01 0.00 -1.02 0.00 0.00 52.86 52.27 3dq7 s ASN 149 Cb -0.03 -2.08 -0.00 0.00 0.02 0.00 0.00 41.25 39.15 3dq7 s ASN 149 CO 0.01 0.40 -0.13 -0.69 0.02 0.00 0.00 177.10 176.71 3dq7 s VAL 150 N -1.00 2.83 -0.42 1.60 1.01 0.01 -4.87 120.40 119.56 3dq7 s VAL 150 Ca 0.15 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3dq7 s VAL 150 Cb -0.12 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3dq7 s VAL 150 CO 0.04 0.50 0.43 -0.31 0.00 0.00 0.00 175.10 175.76 3dq7 s TYR 151 N 0.89 3.17 -0.17 5.22 2.02 -1.19 -0.15 117.35 127.14 3dq7 s TYR 151 Ca -0.03 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 3dq7 s TYR 151 Cb -0.15 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.51 3dq7 s TYR 151 CO -0.01 -0.68 0.53 0.42 -1.57 0.00 0.00 175.55 174.24 3dq7 s ILE 152 N 2.12 5.11 0.14 2.71 1.01 0.91 -3.34 121.20 129.86 3dq7 s ILE 152 Ca 0.12 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.86 3dq7 s ILE 152 Cb -0.17 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3dq7 s ILE 152 CO 0.13 0.21 -0.18 0.00 0.00 0.00 0.00 174.94 175.10 3dq7 s MET 153 N 1.37 1.17 0.52 2.79 0.23 -0.14 -2.03 119.30 123.20 3dq7 s MET 153 Ca 0.26 -1.29 -0.19 0.00 -1.03 0.00 0.00 55.69 53.44 3dq7 s MET 153 Cb -0.15 -1.26 -0.07 0.00 -1.53 0.00 0.00 34.83 31.82 3dq7 s MET 153 CO 0.10 0.26 1.04 0.00 -2.03 0.00 0.00 175.02 174.40 3dq7 s ALA 154 N -1.78 2.84 -0.62 3.16 0.00 -1.25 -0.21 121.76 123.89 3dq7 s ALA 154 Ca 0.11 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3dq7 s ALA 154 Cb -0.07 -3.24 0.17 0.00 0.00 0.00 0.00 23.12 19.97 3dq7 s ALA 154 CO 0.05 -0.45 0.45 0.34 0.00 0.00 0.00 175.76 176.14 3dq7 s ASP 155 N -2.23 3.94 0.26 0.00 -1.08 0.01 -4.60 116.67 112.97 3dq7 s ASP 155 Ca 0.66 -3.61 -0.04 0.00 -0.52 0.00 0.00 52.55 49.04 3dq7 s ASP 155 Cb -0.16 -1.32 0.37 0.00 -1.46 0.00 0.00 42.92 40.35 3dq7 s ASP 155 CO 0.25 -0.11 1.88 0.11 0.52 0.00 0.00 175.17 177.82 3dq7 h LYS 156 N 5.51 1.11 0.00 4.34 1.57 -1.94 -1.12 116.57 126.04 3dq7 h LYS 156 Ca 0.17 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3dq7 h LYS 156 Cb 0.80 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3dq7 h LYS 156 CO 0.62 0.74 -0.22 1.96 -0.57 0.00 0.00 179.45 181.98 3dq7 h GLN 157 N 1.15 0.00 -0.30 3.15 4.20 -1.95 -2.31 115.11 119.04 3dq7 h GLN 157 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 3dq7 h GLN 157 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3dq7 h GLN 157 CO -0.16 0.22 0.00 1.63 -0.67 0.00 0.00 178.83 179.85 3dq7 n LYS 158 N -3.91 2.41 -2.96 1.46 5.02 -0.64 -4.98 118.16 114.57 3dq7 n LYS 158 Ca -0.02 -2.18 -0.22 0.00 -2.02 0.00 0.00 58.31 53.88 3dq7 n LYS 158 Cb 0.31 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3dq7 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dq7 n ASN 159 N 1.42 -5.57 0.00 4.39 5.15 -0.52 -4.78 115.26 115.35 3dq7 n ASN 159 Ca 0.18 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 3dq7 n ASN 159 Cb 0.59 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 3dq7 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dq7 n GLY 160 N -1.36 4.30 3.21 8.20 0.00 -0.90 -4.36 105.19 114.28 3dq7 n GLY 160 Ca -0.12 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3dq7 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dq7 s ILE 161 N -0.56 0.98 0.15 -0.61 -4.36 -0.80 -0.81 121.20 115.20 3dq7 s ILE 161 Ca 0.00 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.53 3dq7 s ILE 161 Cb 0.00 -1.70 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3dq7 s ILE 161 CO 0.00 -0.75 -0.18 -0.54 0.24 0.00 0.00 174.94 173.71 3dq7 s LYS 162 N -3.59 1.23 -0.07 0.37 1.02 0.70 -1.14 119.74 118.27 3dq7 s LYS 162 Ca 0.13 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 54.71 3dq7 s LYS 162 Cb 0.02 -1.28 0.03 0.00 -0.52 0.00 0.00 37.83 36.08 3dq7 s LYS 162 CO -0.01 0.26 0.16 0.08 -0.92 0.00 0.00 175.35 174.92 3dq7 s VAL 163 N -1.99 -0.03 0.08 3.17 1.01 -0.22 -0.97 120.40 121.45 3dq7 s VAL 163 Ca 0.14 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.28 3dq7 s VAL 163 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3dq7 s VAL 163 CO 0.06 0.04 -0.16 0.21 0.00 0.00 0.00 175.10 175.25 3dq7 s ASN 164 N 0.70 1.88 0.00 3.32 3.04 -1.21 -0.60 114.94 122.06 3dq7 s ASN 164 Ca -0.05 -0.62 0.00 0.00 0.04 0.00 0.00 52.86 52.23 3dq7 s ASN 164 Cb -0.07 -0.07 0.00 0.00 -1.54 0.00 0.00 41.25 39.57 3dq7 s ASN 164 CO -0.04 -0.04 0.00 2.22 -3.04 0.00 0.00 177.10 176.21 3dq7 n PHE 165 N 1.28 0.00 -4.49 0.43 -1.74 -0.86 -3.18 117.46 108.90 3dq7 n PHE 165 Ca -0.21 0.00 -0.33 0.00 -0.56 0.00 0.00 57.45 56.36 3dq7 n PHE 165 Cb 0.54 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.38 3dq7 n PHE 165 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3dq7 s LYS 166 N -2.00 3.05 -0.01 3.97 1.02 -1.26 -0.65 119.74 123.86 3dq7 s LYS 166 Ca 0.00 -0.83 -0.13 0.00 0.02 0.00 0.00 55.97 55.03 3dq7 s LYS 166 Cb 0.00 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3dq7 s LYS 166 CO 0.00 -0.06 0.36 0.42 -0.92 0.00 0.00 175.35 175.15 3dq7 s ILE 167 N 0.95 5.11 -0.25 2.17 -1.09 -0.44 -4.95 121.20 122.70 3dq7 s ILE 167 Ca -0.03 0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 59.08 3dq7 s ILE 167 Cb -0.15 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.09 3dq7 s ILE 167 CO -0.04 0.57 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.05 3dq7 s ARG 168 N -1.13 2.92 -0.31 2.79 0.52 -1.26 -0.49 118.95 121.99 3dq7 s ARG 168 Ca 0.23 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.35 3dq7 s ARG 168 Cb -0.16 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3dq7 s ARG 168 CO 0.12 -0.38 0.41 -1.01 0.02 0.00 0.00 175.30 174.47 3dq7 s HIS 169 N 1.35 3.22 0.39 -0.53 3.76 -0.25 -4.58 115.29 118.66 3dq7 s HIS 169 Ca 0.01 0.26 -0.26 0.00 -0.15 0.00 0.00 55.06 54.92 3dq7 s HIS 169 Cb -0.16 -2.69 -0.09 0.00 1.11 0.00 0.00 32.58 30.75 3dq7 s HIS 169 CO -0.04 -0.36 1.26 -0.80 -0.85 0.00 0.00 174.74 173.96 3dq7 s ASN 170 N 1.69 6.43 0.11 1.40 -0.87 -1.26 -0.01 114.94 122.42 3dq7 s ASN 170 Ca 0.15 2.57 0.10 0.00 -1.57 0.00 0.00 52.86 54.11 3dq7 s ASN 170 Cb -0.16 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.40 3dq7 s ASN 170 CO 0.11 -0.76 -0.26 -0.63 -2.57 0.00 0.00 177.10 172.99 3dq7 s ILE 171 N -1.29 2.26 0.00 0.60 1.01 -0.44 -1.68 121.20 121.66 3dq7 s ILE 171 Ca 0.56 -1.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 3dq7 s ILE 171 Cb -0.36 -1.97 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3dq7 s ILE 171 CO 0.46 0.17 1.86 -1.84 0.00 0.00 0.00 174.94 175.59 3dq7 n GLU 172 N 1.14 0.95 0.00 2.79 0.28 -1.26 -0.86 120.64 123.68 3dq7 n GLU 172 Ca -0.18 -0.22 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 3dq7 n GLU 172 Cb 0.53 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 32.04 3dq7 n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3dq7 n ASP 173 N 1.94 0.00 0.00 -1.84 5.75 -1.26 -5.03 116.55 116.11 3dq7 n ASP 173 Ca 0.10 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 3dq7 n ASP 173 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3dq7 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dq7 n GLY 174 N 0.00 1.70 3.94 6.12 0.00 -0.04 -5.07 105.19 111.83 3dq7 n GLY 174 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3dq7 n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dq7 s SER 175 N -1.67 4.18 0.23 1.61 0.15 -1.25 -4.84 113.70 112.11 3dq7 s SER 175 Ca 0.00 0.31 0.10 0.00 0.70 0.00 0.00 55.95 57.06 3dq7 s SER 175 Cb 0.00 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.55 3dq7 s SER 175 CO 0.00 -2.03 -0.17 0.68 1.20 0.00 0.00 173.24 172.92 3dq7 s VAL 176 N -3.47 2.06 -0.34 4.45 -7.23 -1.26 -1.33 120.40 113.29 3dq7 s VAL 176 Ca 0.66 -2.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 3dq7 s VAL 176 Cb -0.08 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3dq7 s VAL 176 CO 0.48 -0.47 0.21 -1.58 -0.31 0.00 0.00 175.10 173.42 3dq7 s GLN 177 N -3.47 3.33 0.22 4.82 2.00 0.99 -4.92 119.66 122.63 3dq7 s GLN 177 Ca 0.25 -0.74 -0.29 0.00 -2.00 0.00 0.00 55.36 52.58 3dq7 s GLN 177 Cb -0.03 -3.71 -0.09 0.00 0.80 0.00 0.00 33.01 29.98 3dq7 s GLN 177 CO 0.10 -0.48 0.92 -0.51 -0.50 0.00 0.00 175.29 174.82 3dq7 s LEU 178 N 1.66 4.63 -0.24 3.68 1.43 -1.26 -1.09 118.68 127.49 3dq7 s LEU 178 Ca 0.05 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3dq7 s LEU 178 Cb -0.18 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.56 3dq7 s LEU 178 CO 0.08 0.15 0.00 0.00 0.23 0.00 0.00 176.35 176.82 3dq7 s ALA 179 N -1.09 1.61 -0.32 4.21 0.00 0.35 -1.37 121.76 125.16 3dq7 s ALA 179 Ca 0.41 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.93 3dq7 s ALA 179 Cb -0.25 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 3dq7 s ALA 179 CO 0.31 -1.28 0.62 -0.51 0.00 0.00 0.00 175.76 174.90 3dq7 s ASP 180 N 1.57 6.47 -0.19 0.00 1.11 -0.01 -1.33 116.67 124.27 3dq7 s ASP 180 Ca -0.01 0.34 -0.09 0.00 0.18 0.00 0.00 52.55 52.97 3dq7 s ASP 180 Cb -0.18 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 3dq7 s ASP 180 CO -0.10 -0.50 0.09 -1.00 1.18 0.00 0.00 175.17 174.85 3dq7 s HIS 181 N 2.61 3.32 -0.16 4.23 3.76 0.18 -0.48 115.29 128.74 3dq7 s HIS 181 Ca 0.24 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 3dq7 s HIS 181 Cb -0.15 -2.12 0.02 0.00 1.11 0.00 0.00 32.58 31.44 3dq7 s HIS 181 CO 0.12 0.21 -0.19 0.71 -0.85 0.00 0.00 174.74 174.75 3dq7 s TYR 182 N 0.38 2.57 0.07 1.40 1.51 -0.24 -2.04 117.35 120.99 3dq7 s TYR 182 Ca 0.05 -1.45 0.07 0.00 -1.01 0.00 0.00 57.07 54.74 3dq7 s TYR 182 Cb -0.12 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 3dq7 s TYR 182 CO -0.01 -0.72 -0.20 -1.14 -1.11 0.00 0.00 175.55 172.37 3dq7 s GLN 183 N 1.22 1.23 -0.00 -0.62 0.74 0.23 -1.61 119.66 120.84 3dq7 s GLN 183 Ca 0.02 -1.01 0.01 0.00 0.05 0.00 0.00 55.36 54.43 3dq7 s GLN 183 Cb -0.14 -1.39 -0.00 0.00 1.10 0.00 0.00 33.01 32.58 3dq7 s GLN 183 CO -0.10 0.34 -0.02 -1.14 -0.55 0.00 0.00 175.29 173.82 3dq7 s GLN 184 N -1.47 0.22 -0.02 1.67 0.74 -0.25 -1.05 119.66 119.49 3dq7 s GLN 184 Ca 0.06 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.44 3dq7 s GLN 184 Cb -0.09 -0.22 -0.01 0.00 1.10 0.00 0.00 33.01 33.78 3dq7 s GLN 184 CO 0.03 0.05 -0.19 -0.80 -0.55 0.00 0.00 175.29 173.82 3dq7 s ASN 185 N 0.00 2.24 -0.03 6.67 -0.87 -0.29 -0.85 114.94 121.81 3dq7 s ASN 185 Ca 0.00 -0.35 -0.08 0.00 -1.57 0.00 0.00 52.86 50.86 3dq7 s ASN 185 Cb -0.02 -0.34 0.01 0.00 -0.02 0.00 0.00 41.25 40.89 3dq7 s ASN 185 CO -0.00 0.22 0.19 0.42 -2.57 0.00 0.00 177.10 175.35 3dq7 s THR 186 N -0.34 0.04 0.56 1.60 -4.23 -0.53 -1.91 115.64 110.84 3dq7 s THR 186 Ca 0.05 -0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 60.00 3dq7 s THR 186 Cb -0.08 -0.39 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 3dq7 s THR 186 CO -0.00 -0.20 1.20 -2.16 -0.54 0.00 0.00 174.62 172.92 3dq7 s PRO 187 N -0.72 3.16 -0.12 3.99 0.05 -1.26 -0.50 135.00 139.60 3dq7 s PRO 187 Ca -0.08 1.80 -0.06 0.00 0.05 0.00 0.00 61.00 62.71 3dq7 s PRO 187 Cb -0.05 -2.02 -0.26 0.00 0.05 0.00 0.00 34.50 32.22 3dq7 s PRO 187 CO 0.01 -1.05 0.38 -0.89 0.05 0.00 0.00 177.00 175.50 3dq7 n ILE 188 N -1.36 1.79 -2.15 0.56 5.41 -0.11 -4.76 119.36 118.73 3dq7 n ILE 188 Ca 0.12 -0.66 -0.28 0.00 1.00 0.00 0.00 62.75 62.93 3dq7 n ILE 188 Cb 0.49 -1.72 0.18 0.00 -0.71 0.00 0.00 39.64 37.88 3dq7 n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dq7 n GLY 189 N 1.98 -0.85 0.72 7.39 0.00 -1.26 -4.99 105.19 108.18 3dq7 n GLY 189 Ca -0.31 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 43.98 3dq7 n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dq7 n ASP 190 N -3.58 2.60 -3.89 1.61 2.03 -1.26 -5.00 116.55 109.06 3dq7 n ASP 190 Ca 0.17 -1.76 -0.30 0.00 0.52 0.00 0.00 54.79 53.42 3dq7 n ASP 190 Cb 0.59 -0.08 0.22 0.00 -0.72 0.00 0.00 41.12 41.13 3dq7 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dq7 s GLY 191 N -1.28 1.74 0.34 0.27 0.00 -1.26 -4.98 107.32 102.14 3dq7 s GLY 191 Ca 0.23 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.45 3dq7 s GLY 191 CO 0.21 -0.36 1.27 -4.14 0.00 0.00 0.00 173.10 170.09 3dq7 s PRO 192 N -5.79 4.32 0.17 2.90 0.02 -1.26 -5.03 135.00 130.32 3dq7 s PRO 192 Ca 0.75 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.93 3dq7 s PRO 192 Cb -0.04 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 3dq7 s PRO 192 CO 0.54 -0.19 -0.02 0.14 -0.33 0.00 0.00 177.00 177.14 3dq7 s VAL 193 N -1.18 0.80 -0.25 3.83 -7.23 -1.26 -4.74 120.40 110.37 3dq7 s VAL 193 Ca 0.50 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 3dq7 s VAL 193 Cb -0.38 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 3dq7 s VAL 193 CO 0.50 -0.54 0.47 -0.76 -0.31 0.00 0.00 175.10 174.46 3dq7 s LEU 194 N -3.17 4.06 -0.30 1.32 1.43 -1.26 -5.05 118.68 115.71 3dq7 s LEU 194 Ca 0.22 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3dq7 s LEU 194 Cb 0.05 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3dq7 s LEU 194 CO 0.03 -0.24 0.19 -0.76 0.23 0.00 0.00 176.35 175.81 3dq7 s LEU 195 N 2.12 4.13 0.66 1.79 1.43 -1.26 -3.81 118.68 123.73 3dq7 s LEU 195 Ca 0.20 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 3dq7 s LEU 195 Cb -0.16 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.00 3dq7 s LEU 195 CO 0.09 -0.12 0.97 -2.16 0.23 0.00 0.00 176.35 175.37 3dq7 s PRO 196 N 1.73 2.56 0.56 1.29 0.04 -1.26 -4.94 135.00 134.98 3dq7 s PRO 196 Ca 0.06 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.87 3dq7 s PRO 196 Cb -0.16 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 3dq7 s PRO 196 CO 0.10 -0.99 1.01 -0.51 0.04 0.00 0.00 177.00 176.64 3dq7 s ASP 197 N -4.41 6.43 0.19 6.66 1.01 -1.26 -3.94 116.67 121.35 3dq7 s ASP 197 Ca 0.57 1.51 -0.33 0.00 0.71 0.00 0.00 52.55 55.01 3dq7 s ASP 197 Cb -0.11 -2.49 -0.14 0.00 1.01 0.00 0.00 42.92 41.19 3dq7 s ASP 197 CO 0.45 -0.72 1.46 0.59 0.21 0.00 0.00 175.17 177.16 3dq7 n ASN 198 N -2.10 2.76 -2.84 0.27 4.13 -1.26 -4.84 115.26 111.38 3dq7 n ASN 198 Ca 0.06 1.12 -0.09 0.00 1.68 0.00 0.00 54.58 57.35 3dq7 n ASN 198 Cb 0.54 -1.40 0.03 0.00 -1.54 0.00 0.00 39.78 37.40 3dq7 n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3dq7 s HIS 199 N 0.38 0.21 0.20 3.10 -3.43 -0.86 -4.80 115.29 110.08 3dq7 s HIS 199 Ca 0.74 -0.88 0.04 0.00 -0.80 0.00 0.00 55.06 54.16 3dq7 s HIS 199 Cb -0.69 0.80 -0.05 0.00 -1.43 0.00 0.00 32.58 31.21 3dq7 s HIS 199 CO 0.45 -1.59 -0.05 1.52 -2.00 0.00 0.00 174.74 173.07 3dq7 s TYR 200 N -2.17 1.44 -0.12 0.38 -0.85 -0.35 -0.06 117.35 115.62 3dq7 s TYR 200 Ca 0.17 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 55.84 3dq7 s TYR 200 Cb -0.05 -0.79 -0.03 0.00 0.38 0.00 0.00 41.96 41.47 3dq7 s TYR 200 CO 0.12 0.02 0.01 -0.51 -1.52 0.00 0.00 175.55 173.67 3dq7 s LEU 201 N -3.25 3.57 -0.24 -3.49 1.43 0.78 -0.99 118.68 116.49 3dq7 s LEU 201 Ca 0.24 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3dq7 s LEU 201 Cb 0.04 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3dq7 s LEU 201 CO 0.05 0.30 0.12 -0.44 0.23 0.00 0.00 176.35 176.62 3dq7 s SER 202 N -0.43 5.71 -0.12 2.29 0.01 0.70 -0.81 113.70 121.06 3dq7 s SER 202 Ca 0.08 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 3dq7 s SER 202 Cb -0.12 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 3dq7 s SER 202 CO 0.02 0.02 -0.08 -0.31 0.41 0.00 0.00 173.24 173.31 3dq7 s TYR 203 N 1.29 2.92 -0.04 2.43 1.51 0.09 -1.43 117.35 124.12 3dq7 s TYR 203 Ca 0.06 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3dq7 s TYR 203 Cb -0.14 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 3dq7 s TYR 203 CO 0.05 0.04 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.71 3dq7 s GLN 204 N -0.06 1.83 -0.02 -0.62 1.11 -0.14 -1.82 119.66 119.94 3dq7 s GLN 204 Ca -0.00 -0.63 0.02 0.00 0.01 0.00 0.00 55.36 54.76 3dq7 s GLN 204 Cb -0.13 -1.59 0.00 0.00 -1.01 0.00 0.00 33.01 30.27 3dq7 s GLN 204 CO 0.03 0.26 -0.08 -1.12 0.01 0.00 0.00 175.29 174.39 3dq7 s SER 205 N 0.01 1.05 -0.06 5.90 0.01 -1.26 -0.85 113.70 118.50 3dq7 s SER 205 Ca -0.04 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.09 3dq7 s SER 205 Cb -0.12 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.90 3dq7 s SER 205 CO 0.02 0.07 -0.14 0.00 0.41 0.00 0.00 173.24 173.60 3dq7 s ALA 206 N 0.07 1.37 -0.04 1.44 0.00 0.09 -4.60 121.76 120.09 3dq7 s ALA 206 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dq7 s ALA 206 Cb -0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3dq7 s ALA 206 CO 0.00 0.16 -0.02 -0.51 0.00 0.00 0.00 175.76 175.39 3dq7 s LEU 207 N 0.50 3.42 0.38 0.00 1.43 -1.26 -1.25 118.68 121.90 3dq7 s LEU 207 Ca -0.12 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 3dq7 s LEU 207 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.24 3dq7 s LEU 207 CO 0.04 0.33 0.63 -0.94 0.23 0.00 0.00 176.35 176.64 3dq7 s SER 208 N -1.16 0.59 0.13 2.29 1.04 -0.14 -4.94 113.70 111.52 3dq7 s SER 208 Ca 0.16 -1.39 0.09 0.00 0.48 0.00 0.00 55.95 55.29 3dq7 s SER 208 Cb -0.11 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 3dq7 s SER 208 CO 0.05 -1.52 -0.22 -0.54 0.98 0.00 0.00 173.24 171.99 3dq7 s LYS 209 N -2.53 1.27 -0.33 4.02 -0.14 -1.26 -1.08 119.74 119.68 3dq7 s LYS 209 Ca 0.24 -1.31 -0.17 0.00 -1.36 0.00 0.00 55.97 53.37 3dq7 s LYS 209 Cb -0.03 -1.54 -0.01 0.00 -1.68 0.00 0.00 37.83 34.58 3dq7 s LYS 209 CO 0.17 0.35 0.47 0.34 -0.76 0.00 0.00 175.35 175.92 3dq7 s ASP 210 N -2.22 6.30 0.49 2.83 -1.08 -1.26 -4.94 116.67 116.80 3dq7 s ASP 210 Ca 0.12 0.02 0.33 0.00 -0.52 0.00 0.00 52.55 52.51 3dq7 s ASP 210 Cb -0.09 -2.25 1.70 0.00 -1.46 0.00 0.00 42.92 40.82 3dq7 s ASP 210 CO 0.06 -0.41 2.01 1.55 0.52 0.00 0.00 175.17 178.91 3dq7 h PRO 211 N 8.39 0.00 -0.37 4.34 0.13 -2.04 -1.63 132.00 140.82 3dq7 h PRO 211 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3dq7 h PRO 211 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3dq7 h PRO 211 CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 3dq7 n ASN 212 N -2.73 2.83 -4.42 1.44 3.02 -1.26 -4.90 115.26 109.25 3dq7 n ASN 212 Ca -0.01 -1.92 -0.36 0.00 -0.03 0.00 0.00 54.58 52.26 3dq7 n ASN 212 Cb 0.12 -0.24 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 3dq7 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dq7 s GLU 213 N -1.52 3.58 0.16 3.52 2.56 -0.62 -4.95 118.70 121.44 3dq7 s GLU 213 Ca 0.37 -0.52 0.23 0.00 0.00 0.00 0.00 54.97 55.04 3dq7 s GLU 213 Cb 0.20 -3.19 0.08 0.00 2.00 0.00 0.00 34.13 33.22 3dq7 s GLU 213 CO 0.29 -0.14 1.09 1.63 -0.56 0.00 0.00 175.26 177.57 3dq7 n LYS 214 N 4.73 0.50 -1.87 4.30 4.76 -1.26 -4.87 118.16 124.44 3dq7 n LYS 214 Ca -0.17 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.04 3dq7 n LYS 214 Cb 0.51 -1.76 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3dq7 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dq7 s ARG 215 N -3.30 3.17 0.11 1.97 0.52 -1.26 -4.97 118.95 115.18 3dq7 s ARG 215 Ca 0.01 1.11 -0.31 0.00 -0.52 0.00 0.00 55.73 56.03 3dq7 s ARG 215 Cb 0.11 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.49 3dq7 s ARG 215 CO 0.78 -0.92 1.38 0.34 0.02 0.00 0.00 175.30 176.89 3dq7 s ASP 216 N -3.15 6.84 0.23 0.23 2.15 -1.26 -4.95 116.67 116.76 3dq7 s ASP 216 Ca 0.62 2.30 -0.22 0.00 0.43 0.00 0.00 52.55 55.67 3dq7 s ASP 216 Cb -0.15 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 3dq7 s ASP 216 CO 0.43 -0.64 0.68 -1.38 -0.17 0.00 0.00 175.17 174.09 3dq7 s HIS 217 N 1.15 -0.31 -0.01 -5.34 -3.43 -1.26 -0.76 115.29 105.33 3dq7 s HIS 217 Ca 0.64 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.85 3dq7 s HIS 217 Cb -0.36 0.66 0.01 0.00 -1.43 0.00 0.00 32.58 31.45 3dq7 s HIS 217 CO 0.30 -1.09 -0.01 1.41 -2.00 0.00 0.00 174.74 173.35 3dq7 s MET 218 N -3.85 0.14 -0.18 -0.38 1.75 -0.25 -4.96 119.30 111.57 3dq7 s MET 218 Ca 0.07 -0.01 -0.08 0.00 -1.25 0.00 0.00 55.69 54.43 3dq7 s MET 218 Cb -0.04 -0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.38 3dq7 s MET 218 CO -0.00 -0.02 0.07 0.08 -0.65 0.00 0.00 175.02 174.50 3dq7 s VAL 219 N 0.27 4.87 -0.09 10.11 1.01 -0.25 -0.78 120.40 135.55 3dq7 s VAL 219 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3dq7 s VAL 219 Cb -0.04 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.16 3dq7 s VAL 219 CO -0.01 0.47 -0.12 -0.22 0.00 0.00 0.00 175.10 175.22 3dq7 s LEU 220 N 0.28 1.58 -0.15 3.92 2.96 0.02 -0.96 118.68 126.34 3dq7 s LEU 220 Ca 0.04 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3dq7 s LEU 220 Cb -0.12 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 3dq7 s LEU 220 CO -0.00 -0.00 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.65 3dq7 s LEU 221 N 0.98 2.47 0.01 -0.68 2.96 -0.38 -1.09 118.68 122.94 3dq7 s LEU 221 Ca -0.08 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3dq7 s LEU 221 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3dq7 s LEU 221 CO -0.00 0.10 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.41 3dq7 s GLU 222 N 0.69 0.82 -0.06 1.98 2.02 -0.38 -0.73 118.70 123.05 3dq7 s GLU 222 Ca -0.08 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.47 3dq7 s GLU 222 Cb -0.16 -0.79 0.00 0.00 0.10 0.00 0.00 34.13 33.29 3dq7 s GLU 222 CO 0.02 0.21 -0.17 -0.06 0.02 0.00 0.00 175.26 175.28 3dq7 s PHE 223 N -0.46 1.80 -0.04 1.61 0.08 -0.03 -1.03 117.98 119.91 3dq7 s PHE 223 Ca 0.02 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.45 3dq7 s PHE 223 Cb -0.05 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 3dq7 s PHE 223 CO 0.00 -0.26 -0.02 0.08 -0.10 0.00 0.00 175.22 174.92 3dq7 s VAL 224 N 0.34 0.39 -0.03 -0.44 1.01 0.70 -0.96 120.40 121.40 3dq7 s VAL 224 Ca -0.11 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3dq7 s VAL 224 Cb -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3dq7 s VAL 224 CO 0.04 0.21 -0.05 -0.89 0.00 0.00 0.00 175.10 174.41 3dq7 s THR 225 N 1.17 0.52 0.39 3.92 2.01 -0.51 -0.81 115.64 122.32 3dq7 s THR 225 Ca -0.07 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.54 3dq7 s THR 225 Cb -0.14 -0.52 -0.10 0.00 0.01 0.00 0.00 72.50 71.75 3dq7 s THR 225 CO -0.02 0.20 0.96 0.00 -0.69 0.00 0.00 174.62 175.07 3dq7 s ALA 226 N 0.62 3.11 0.03 7.40 0.00 0.09 -0.21 121.76 132.80 3dq7 s ALA 226 Ca -0.08 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 3dq7 s ALA 226 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3dq7 s ALA 226 CO 0.00 0.11 0.05 0.00 0.00 0.00 0.00 175.76 175.92 3dq7 n ALA 227 N -0.11 -0.08 -0.20 0.00 0.00 -0.16 -4.55 120.51 115.40 3dq7 n ALA 227 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3dq7 n ALA 227 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3dq7 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dq7 n GLY 228 N -0.05 0.89 2.73 0.00 0.00 -1.26 -1.22 105.19 106.29 3dq7 n GLY 228 Ca -0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3dq7 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dq7 s ILE 229 N -2.00 0.47 -0.41 -0.61 1.01 -1.26 -4.74 121.20 113.66 3dq7 s ILE 229 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3dq7 s ILE 229 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.55 3dq7 s ILE 229 CO 0.00 -0.13 0.10 0.35 0.00 0.00 0.00 174.94 175.26