#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gq4 n GLN 3 N 0.00 1.40 -0.19 -0.52 6.02 -1.26 -4.83 117.38 118.00 3gq4 n GLN 3 Ca 0.00 -0.06 -0.02 0.00 -0.01 0.00 0.00 57.00 56.91 3gq4 n GLN 3 Cb 0.00 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.31 3gq4 n GLN 3 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3gq4 h LEU 4 N 0.00 -0.54 -0.99 1.08 6.46 -1.51 -0.28 115.31 119.52 3gq4 h LEU 4 Ca -0.01 0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 3gq4 h LEU 4 Cb 0.02 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 3gq4 h LEU 4 CO 0.01 -0.19 0.07 -0.65 -0.62 0.00 0.00 178.44 177.06 3gq4 h PRO 5 N -0.00 0.80 -0.25 5.25 0.11 -1.87 0.14 132.00 136.17 3gq4 h PRO 5 Ca 0.27 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 3gq4 h PRO 5 Cb 0.42 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3gq4 h PRO 5 CO -0.59 0.76 -0.04 0.93 -0.21 0.00 0.00 178.00 178.84 3gq4 h GLU 6 N 0.76 0.48 -0.55 1.05 3.07 -1.71 -1.42 114.58 116.26 3gq4 h GLU 6 Ca 0.16 -0.17 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 3gq4 h GLU 6 Cb 0.36 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3gq4 h GLU 6 CO 0.01 0.69 -0.04 0.28 -1.40 0.00 0.00 179.01 178.54 3gq4 h VAL 7 N 0.23 1.27 -0.70 3.13 2.07 -0.78 -0.93 116.25 120.54 3gq4 h VAL 7 Ca 0.07 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3gq4 h VAL 7 Cb 0.50 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3gq4 h VAL 7 CO 0.02 0.42 0.22 -0.08 0.02 0.00 0.00 177.57 178.17 3gq4 h GLU 8 N 0.89 1.07 -0.41 1.57 4.57 -0.70 0.17 114.58 121.75 3gq4 h GLU 8 Ca 0.15 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 3gq4 h GLU 8 Cb 0.60 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3gq4 h GLU 8 CO 0.04 0.91 -0.05 1.15 -1.18 0.00 0.00 179.01 179.88 3gq4 h THR 9 N 1.03 1.27 -0.46 0.32 2.02 -0.97 -1.30 112.91 114.82 3gq4 h THR 9 Ca 0.23 -1.10 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3gq4 h THR 9 Cb 0.29 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3gq4 h THR 9 CO -0.01 0.37 0.31 0.40 0.37 0.00 0.00 175.52 176.96 3gq4 h ILE 10 N 0.57 1.12 -0.17 3.11 2.04 -0.88 -1.67 117.51 121.62 3gq4 h ILE 10 Ca 0.11 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3gq4 h ILE 10 Cb 0.55 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3gq4 h ILE 10 CO 0.03 0.11 -0.10 -0.09 0.00 0.00 0.00 178.15 178.10 3gq4 h ARG 11 N 0.62 -0.09 -0.56 2.37 2.43 -0.41 0.11 114.38 118.85 3gq4 h ARG 11 Ca 0.17 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3gq4 h ARG 11 Cb -0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3gq4 h ARG 11 CO -0.04 -0.06 0.06 0.00 -1.51 0.00 0.00 179.97 178.42 3gq4 h ARG 12 N -0.10 0.92 0.00 0.20 3.08 -1.07 -1.84 114.38 115.58 3gq4 h ARG 12 Ca 0.10 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3gq4 h ARG 12 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3gq4 h ARG 12 CO -0.23 0.88 -0.29 1.79 -1.07 0.00 0.00 179.97 181.05 3gq4 h THR 13 N 0.87 0.00 0.10 2.04 1.35 -1.05 -3.35 112.91 112.88 3gq4 h THR 13 Ca 0.17 -0.98 -0.36 0.00 -0.55 0.00 0.00 66.41 64.70 3gq4 h THR 13 Cb 0.43 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 3gq4 h THR 13 CO 0.01 0.00 -1.97 -0.11 -0.25 0.00 0.00 175.52 173.21 3gq4 n LEU 14 N -2.95 2.38 -0.15 3.87 7.94 0.36 -4.56 117.00 123.89 3gq4 n LEU 14 Ca 0.03 0.23 -0.06 0.00 -1.11 0.00 0.00 56.01 55.10 3gq4 n LEU 14 Cb 0.53 -0.92 -0.00 0.00 0.53 0.00 0.00 43.42 43.56 3gq4 n LEU 14 CO 0.36 0.79 0.64 0.25 -1.11 0.00 0.00 177.39 178.32 3gq4 h LEU 15 N 0.06 -1.07 -2.39 -1.96 5.85 -1.47 -0.67 115.31 113.66 3gq4 h LEU 15 Ca -0.41 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3gq4 h LEU 15 Cb 2.03 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 43.58 3gq4 h LEU 15 CO 0.08 -0.30 -0.03 1.55 -0.34 0.00 0.00 178.44 179.39 3gq4 h PRO 16 N -0.20 0.00 0.00 5.25 0.13 -1.80 -0.02 132.00 135.36 3gq4 h PRO 16 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3gq4 h PRO 16 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3gq4 h PRO 16 CO -0.59 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 178.49 3gq4 n LEU 17 N -3.46 0.43 0.00 1.56 4.77 -0.27 -4.19 117.00 115.85 3gq4 n LEU 17 Ca -0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3gq4 n LEU 17 Cb 0.14 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3gq4 n LEU 17 CO 0.26 -0.10 -0.29 2.30 -1.33 0.00 0.00 177.39 178.23 3gq4 n ILE 18 N -1.90 0.00 -1.73 -0.08 -5.35 -0.78 -5.01 119.36 104.51 3gq4 n ILE 18 Ca 0.06 -0.03 -0.42 0.00 -0.27 0.00 0.00 62.75 62.09 3gq4 n ILE 18 Cb 0.39 0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 3gq4 n ILE 18 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 3gq4 n VAL 19 N -0.94 0.71 -0.67 7.28 3.14 -0.09 -1.75 118.33 126.01 3gq4 n VAL 19 Ca 0.00 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 3gq4 n VAL 19 Cb 0.00 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 30.88 3gq4 n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gq4 n GLY 20 N 2.68 1.04 3.84 7.55 0.00 0.58 -5.00 105.19 115.87 3gq4 n GLY 20 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3gq4 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq4 s LYS 21 N -0.24 4.09 -0.14 1.61 1.02 -0.72 -4.81 119.74 120.55 3gq4 s LYS 21 Ca 0.00 0.71 -0.03 0.00 0.02 0.00 0.00 55.97 56.66 3gq4 s LYS 21 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3gq4 s LYS 21 CO 0.00 0.29 -0.03 0.99 -0.92 0.00 0.00 175.35 175.68 3gq4 s THR 22 N -1.74 3.99 0.03 2.17 2.01 -1.26 -0.88 115.64 119.95 3gq4 s THR 22 Ca 0.48 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3gq4 s THR 22 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3gq4 s THR 22 CO 0.19 0.52 1.11 -0.63 -0.69 0.00 0.00 174.62 175.12 3gq4 s ILE 23 N 0.05 4.39 -0.09 1.82 1.01 0.21 -0.73 121.20 127.87 3gq4 s ILE 23 Ca 0.00 1.71 0.10 0.00 0.00 0.00 0.00 60.65 62.47 3gq4 s ILE 23 Cb -0.13 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 3gq4 s ILE 23 CO 0.03 0.12 0.09 1.21 0.00 0.00 0.00 174.94 176.38 3gq4 n GLU 24 N 4.02 1.81 -3.61 2.79 2.13 0.21 -0.40 120.64 127.58 3gq4 n GLU 24 Ca 0.08 -0.03 -0.12 0.00 0.66 0.00 0.00 57.16 57.76 3gq4 n GLU 24 Cb 0.48 -1.28 -0.05 0.00 0.27 0.00 0.00 31.44 30.86 3gq4 n GLU 24 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3gq4 s ASP 25 N -4.14 -0.30 -0.08 4.31 3.68 -1.07 -4.85 116.67 114.22 3gq4 s ASP 25 Ca -0.05 -0.16 -0.02 0.00 2.13 0.00 0.00 52.55 54.45 3gq4 s ASP 25 Cb 0.04 0.48 0.03 0.00 -1.45 0.00 0.00 42.92 42.02 3gq4 s ASP 25 CO 0.46 -0.81 0.03 -0.69 0.13 0.00 0.00 175.17 174.29 3gq4 s VAL 26 N -3.34 0.24 -0.13 1.11 1.01 -1.26 -0.55 120.40 117.48 3gq4 s VAL 26 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3gq4 s VAL 26 Cb 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 3gq4 s VAL 26 CO -0.09 0.16 -0.13 -0.13 0.00 0.00 0.00 175.10 174.91 3gq4 s ARG 27 N 2.02 3.34 -0.13 2.72 0.52 0.19 -4.87 118.95 122.75 3gq4 s ARG 27 Ca 0.04 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3gq4 s ARG 27 Cb -0.13 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.75 3gq4 s ARG 27 CO -0.05 0.23 -0.13 0.42 0.02 0.00 0.00 175.30 175.78 3gq4 s ILE 28 N 0.30 1.46 -0.36 1.52 1.01 -1.26 -0.75 121.20 123.12 3gq4 s ILE 28 Ca -0.10 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.08 3gq4 s ILE 28 Cb -0.16 -1.37 -0.13 0.00 0.01 0.00 0.00 42.46 40.81 3gq4 s ILE 28 CO 0.06 0.44 0.39 0.49 0.00 0.00 0.00 174.94 176.31 3gq4 n PHE 29 N 4.59 0.00 -3.54 3.97 3.72 0.75 -4.76 117.46 122.20 3gq4 n PHE 29 Ca -0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.94 3gq4 n PHE 29 Cb 0.50 -0.08 -0.12 0.00 -0.94 0.00 0.00 39.48 38.84 3gq4 n PHE 29 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3gq4 s TRP 30 N -2.25 1.08 0.61 1.38 -0.11 -1.18 -5.02 118.94 113.46 3gq4 s TRP 30 Ca 0.02 -1.85 0.34 0.00 1.22 0.00 0.00 56.10 55.83 3gq4 s TRP 30 Cb 0.08 -1.20 1.99 0.00 -1.50 0.00 0.00 33.47 32.84 3gq4 s TRP 30 CO 0.45 -0.82 2.29 -1.35 -4.62 0.00 0.00 176.95 172.90 3gq4 h PRO 31 N 6.95 0.00 0.00 5.86 0.11 -1.89 -2.57 132.00 140.46 3gq4 h PRO 31 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3gq4 h PRO 31 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3gq4 h PRO 31 CO 0.33 0.00 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.13 3gq4 h ASN 32 N 0.00 0.00 0.08 -2.05 -1.24 -1.96 -0.62 115.58 109.79 3gq4 h ASN 32 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 3gq4 h ASN 32 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 3gq4 h ASN 32 CO 0.00 0.03 -0.12 0.40 -1.29 0.00 0.00 177.43 176.45 3gq4 h ILE 33 N 0.00 1.13 -3.44 2.57 2.04 -1.69 -3.41 117.51 114.71 3gq4 h ILE 33 Ca -0.00 -0.58 -0.57 0.00 1.00 0.00 0.00 64.86 64.70 3gq4 h ILE 33 Cb 0.09 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3gq4 h ILE 33 CO 0.00 0.18 0.83 -0.63 0.00 0.00 0.00 178.15 178.53 3gq4 s ILE 34 N -4.76 4.44 -0.13 -0.67 -1.09 -0.24 -0.88 121.20 117.86 3gq4 s ILE 34 Ca -0.05 1.52 0.12 0.00 -2.23 0.00 0.00 60.65 60.02 3gq4 s ILE 34 Cb 0.16 -4.46 -0.17 0.00 -1.58 0.00 0.00 42.46 36.41 3gq4 s ILE 34 CO 0.71 -0.63 0.06 0.54 -1.23 0.00 0.00 174.94 174.39 3gq4 n ARG 35 N 7.12 1.68 -3.67 2.79 5.12 0.08 -4.71 116.66 125.06 3gq4 n ARG 35 Ca 0.11 -0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.93 3gq4 n ARG 35 Cb 0.48 -1.35 -0.09 0.00 -1.16 0.00 0.00 32.46 30.33 3gq4 n ARG 35 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3gq4 s HIS 36 N -2.37 -0.81 0.43 -1.55 2.46 -1.18 -3.64 115.29 108.63 3gq4 s HIS 36 Ca -0.07 1.65 -0.25 0.00 0.47 0.00 0.00 55.06 56.87 3gq4 s HIS 36 Cb 0.04 0.43 -0.09 0.00 -0.13 0.00 0.00 32.58 32.83 3gq4 s HIS 36 CO 0.57 -0.43 1.24 -2.30 -2.47 0.00 0.00 174.74 171.34 3gq4 n PRO 37 N 4.35 1.82 0.22 2.88 -0.02 -1.26 -0.13 135.00 142.85 3gq4 n PRO 37 Ca -0.21 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 61.97 3gq4 n PRO 37 Cb 0.56 -2.35 0.48 0.00 -0.02 0.00 0.00 33.50 32.17 3gq4 n PRO 37 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gq4 h ARG 38 N 1.95 0.00 -6.42 -0.52 9.65 -1.84 -3.39 114.38 113.80 3gq4 h ARG 38 Ca -0.48 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 57.84 3gq4 h ARG 38 Cb 1.30 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.84 3gq4 h ARG 38 CO 0.59 0.23 1.14 0.34 2.80 0.00 0.00 179.97 185.07 3gq4 s ASP 39 N -6.93 6.13 0.58 -3.80 3.68 -1.26 -4.84 116.67 110.23 3gq4 s ASP 39 Ca -0.04 0.83 0.31 0.00 2.13 0.00 0.00 52.55 55.78 3gq4 s ASP 39 Cb 0.15 -2.54 1.78 0.00 -1.45 0.00 0.00 42.92 40.87 3gq4 s ASP 39 CO 0.70 -1.60 2.22 0.77 0.13 0.00 0.00 175.17 177.38 3gq4 h SER 40 N 11.54 0.00 -0.49 -0.34 4.64 -1.91 -1.33 113.55 125.67 3gq4 h SER 40 Ca -0.29 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 3gq4 h SER 40 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3gq4 h SER 40 CO 1.09 0.03 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.72 3gq4 h GLU 41 N 0.00 0.93 -0.30 4.77 5.08 -1.92 -0.80 114.58 122.33 3gq4 h GLU 41 Ca -0.00 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 3gq4 h GLU 41 Cb 0.10 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3gq4 h GLU 41 CO 0.00 0.95 -0.47 0.00 -1.00 0.00 0.00 179.01 178.49 3gq4 h ALA 42 N 1.10 0.47 -0.36 3.43 0.00 -1.62 -1.32 119.26 120.95 3gq4 h ALA 42 Ca 0.15 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3gq4 h ALA 42 Cb 0.56 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3gq4 h ALA 42 CO 0.03 0.63 0.10 0.35 0.00 0.00 0.00 179.25 180.36 3gq4 h PHE 43 N 0.64 0.17 -0.18 0.00 3.57 -1.22 -1.25 116.94 118.66 3gq4 h PHE 43 Ca 0.03 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gq4 h PHE 43 Cb 1.07 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3gq4 h PHE 43 CO 0.07 0.06 -0.05 0.00 -2.23 0.00 0.00 178.31 176.16 3gq4 h ALA 44 N 1.25 0.25 -0.83 2.41 0.00 -1.10 -3.22 119.26 118.01 3gq4 h ALA 44 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gq4 h ALA 44 Cb 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3gq4 h ALA 44 CO -0.19 0.02 0.53 0.00 0.00 0.00 0.00 179.25 179.61 3gq4 h ALA 45 N 0.72 1.06 0.00 0.00 0.00 -1.04 -2.55 119.26 117.45 3gq4 h ALA 45 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gq4 h ALA 45 Cb 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gq4 h ALA 45 CO 0.02 0.50 -0.28 0.07 0.00 0.00 0.00 179.25 179.56 3gq4 h ARG 46 N 1.14 0.00 0.00 0.00 0.11 -1.26 -2.98 114.38 111.39 3gq4 h ARG 46 Ca 0.30 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.26 3gq4 h ARG 46 Cb -0.08 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 30.98 3gq4 h ARG 46 CO -0.06 0.28 -0.83 0.52 0.10 0.00 0.00 179.97 179.97 3gq4 h MET 47 N 0.00 0.00 -6.46 0.08 2.86 -1.47 -3.45 114.93 106.49 3gq4 h MET 47 Ca -0.00 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.05 3gq4 h MET 47 Cb 0.72 0.00 0.05 0.00 0.06 0.00 0.00 31.60 32.43 3gq4 h MET 47 CO 0.04 0.39 0.86 -0.89 1.06 0.00 0.00 176.91 178.37 3gq4 n ILE 48 N -3.08 0.13 0.00 -1.22 5.41 -1.13 -1.73 119.36 117.75 3gq4 n ILE 48 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3gq4 n ILE 48 Cb 0.76 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 3gq4 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gq4 n GLY 49 N 3.63 1.39 3.83 7.39 0.00 0.46 -5.02 105.19 116.87 3gq4 n GLY 49 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3gq4 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gq4 s GLN 50 N -0.66 4.15 -0.07 1.61 -0.21 -0.70 -4.76 119.66 119.02 3gq4 s GLN 50 Ca 0.00 0.97 0.01 0.00 0.02 0.00 0.00 55.36 56.37 3gq4 s GLN 50 Cb 0.00 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 3gq4 s GLN 50 CO 0.00 0.03 -0.08 0.99 -2.12 0.00 0.00 175.29 174.10 3gq4 s THR 51 N -2.12 3.59 -0.19 -0.19 2.01 -1.26 -0.62 115.64 116.86 3gq4 s THR 51 Ca 0.59 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.78 3gq4 s THR 51 Cb -0.09 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 3gq4 s THR 51 CO 0.15 0.59 1.38 -0.69 -0.69 0.00 0.00 174.62 175.36 3gq4 s VAL 52 N -0.73 4.06 -0.07 3.82 1.01 -0.06 -3.49 120.40 124.94 3gq4 s VAL 52 Ca 0.11 1.25 0.17 0.00 0.00 0.00 0.00 61.98 63.51 3gq4 s VAL 52 Cb -0.11 -3.91 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 3gq4 s VAL 52 CO 0.01 -0.23 0.29 0.54 0.00 0.00 0.00 175.10 175.72 3gq4 n ARG 53 N 7.00 0.77 -3.72 2.72 5.12 0.13 -0.31 116.66 128.38 3gq4 n ARG 53 Ca 0.15 -0.12 -0.02 0.00 -1.93 0.00 0.00 57.85 55.94 3gq4 n ARG 53 Cb 0.45 -1.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 3gq4 n ARG 53 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gq4 s GLY 54 N -4.33 -0.28 -0.18 -0.13 0.00 -1.03 -4.88 107.32 96.49 3gq4 s GLY 54 Ca -0.07 0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 3gq4 s GLY 54 CO 0.72 0.20 0.28 -2.27 0.00 0.00 0.00 173.10 172.03 3gq4 s LEU 55 N -2.99 -0.32 0.44 0.66 2.96 -1.26 -0.79 118.68 117.38 3gq4 s LEU 55 Ca 0.14 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 3gq4 s LEU 55 Cb 0.01 0.71 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 3gq4 s LEU 55 CO 0.00 -0.28 0.25 -1.61 -1.32 0.00 0.00 176.35 173.39 3gq4 s GLU 56 N 2.42 2.28 -0.03 1.98 2.02 0.25 -4.95 118.70 122.68 3gq4 s GLU 56 Ca 0.06 -1.86 0.03 0.00 0.02 0.00 0.00 54.97 53.22 3gq4 s GLU 56 Cb -0.14 -2.05 -0.00 0.00 0.10 0.00 0.00 34.13 32.04 3gq4 s GLU 56 CO -0.12 -0.24 -0.13 0.50 0.02 0.00 0.00 175.26 175.30 3gq4 s ARG 57 N -4.01 1.36 -0.15 1.61 3.52 -1.26 -0.27 118.95 119.75 3gq4 s ARG 57 Ca 0.39 -0.46 -0.00 0.00 -0.13 0.00 0.00 55.73 55.53 3gq4 s ARG 57 Cb 0.01 -1.22 0.03 0.00 -1.56 0.00 0.00 34.95 32.22 3gq4 s ARG 57 CO 0.22 0.18 -0.08 0.50 -0.81 0.00 0.00 175.30 175.31 3gq4 s ARG 58 N 0.11 1.67 7.50 5.12 6.06 -0.32 -4.96 118.95 134.13 3gq4 s ARG 58 Ca -0.03 -0.48 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 3gq4 s ARG 58 Cb -0.10 -1.94 0.00 0.00 0.06 0.00 0.00 34.95 32.97 3gq4 s ARG 58 CO 0.01 -0.35 0.00 0.41 -2.50 0.00 0.00 175.30 172.87 3gq4 n GLY 59 N 4.86 4.13 1.27 8.12 0.00 -1.26 -0.41 105.19 121.90 3gq4 n GLY 59 Ca -0.13 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3gq4 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gq4 n LYS 60 N 14.00 2.66 -3.44 1.61 5.02 -1.26 -4.55 118.16 132.21 3gq4 n LYS 60 Ca 0.00 -2.54 -0.37 0.00 -2.02 0.00 0.00 58.31 53.38 3gq4 n LYS 60 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.41 3gq4 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3gq4 s PHE 61 N -1.13 3.71 -0.00 2.13 0.40 0.45 -4.55 117.98 119.00 3gq4 s PHE 61 Ca 0.45 1.04 -0.17 0.00 -0.60 0.00 0.00 56.93 57.66 3gq4 s PHE 61 Cb 0.24 -2.33 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 3gq4 s PHE 61 CO 0.32 0.58 0.47 -0.51 0.70 0.00 0.00 175.22 176.78 3gq4 s LEU 62 N -1.33 4.45 -0.33 -0.37 1.43 -0.02 -1.18 118.68 121.34 3gq4 s LEU 62 Ca 0.28 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 3gq4 s LEU 62 Cb -0.17 -2.70 0.09 0.00 0.03 0.00 0.00 46.19 43.44 3gq4 s LEU 62 CO 0.16 0.25 0.03 -0.75 0.23 0.00 0.00 176.35 176.27 3gq4 s LYS 63 N -0.75 1.82 -0.27 1.70 2.20 0.63 -0.73 119.74 124.33 3gq4 s LYS 63 Ca 0.26 -1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 53.89 3gq4 s LYS 63 Cb -0.17 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3gq4 s LYS 63 CO 0.14 -0.84 1.04 -0.06 -0.36 0.00 0.00 175.35 175.27 3gq4 s PHE 64 N 1.01 3.25 -0.30 4.03 0.08 0.19 -0.58 117.98 125.67 3gq4 s PHE 64 Ca 0.05 1.31 -0.18 0.00 0.12 0.00 0.00 56.93 58.22 3gq4 s PHE 64 Cb -0.20 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.79 3gq4 s PHE 64 CO -0.06 -0.61 0.54 -0.51 -0.10 0.00 0.00 175.22 174.48 3gq4 s LEU 65 N 3.38 4.15 0.00 -0.37 1.43 0.03 -0.78 118.68 126.52 3gq4 s LEU 65 Ca 0.44 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3gq4 s LEU 65 Cb -0.14 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.41 3gq4 s LEU 65 CO 0.10 -0.39 0.00 0.18 0.23 0.00 0.00 176.35 176.48 3gq4 n LEU 66 N 5.68 0.00 0.00 1.79 4.77 0.03 0.20 117.00 129.47 3gq4 n LEU 66 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3gq4 n LEU 66 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3gq4 n LEU 66 CO 0.43 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.96 3gq4 n ASP 67 N 0.00 0.00 0.07 -1.43 8.00 -1.23 -4.40 116.55 117.56 3gq4 n ASP 67 Ca 0.00 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.52 3gq4 n ASP 67 Cb 0.00 -0.21 -0.13 0.00 -0.02 0.00 0.00 41.12 40.76 3gq4 n ASP 67 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3gq4 h ARG 68 N 0.00 0.11 -6.18 -1.24 2.43 -1.97 -3.48 114.38 104.05 3gq4 h ARG 68 Ca 0.00 -0.19 -0.54 0.00 -0.81 0.00 0.00 59.98 58.44 3gq4 h ARG 68 Cb 0.00 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 3gq4 h ARG 68 CO 0.00 1.04 -0.60 -0.51 -1.51 0.00 0.00 179.97 178.39 3gq4 s ASP 69 N -6.83 4.77 -0.06 -3.80 1.01 -1.26 -1.21 116.67 109.28 3gq4 s ASP 69 Ca -0.02 -0.59 0.04 0.00 0.71 0.00 0.00 52.55 52.69 3gq4 s ASP 69 Cb 0.09 -0.93 -0.02 0.00 1.01 0.00 0.00 42.92 43.07 3gq4 s ASP 69 CO 0.84 -0.07 -0.18 0.00 0.21 0.00 0.00 175.17 175.98 3gq4 s ALA 70 N -2.31 2.48 -0.25 5.23 0.00 0.26 -0.79 121.76 126.38 3gq4 s ALA 70 Ca 0.33 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 3gq4 s ALA 70 Cb -0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3gq4 s ALA 70 CO 0.21 0.47 0.08 -1.17 0.00 0.00 0.00 175.76 175.36 3gq4 s LEU 71 N -0.42 3.51 -0.30 0.00 2.96 0.04 -2.10 118.68 122.37 3gq4 s LEU 71 Ca 0.04 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 3gq4 s LEU 71 Cb -0.12 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3gq4 s LEU 71 CO 0.02 -0.03 0.17 -0.63 -1.32 0.00 0.00 176.35 174.56 3gq4 s ILE 72 N 1.62 4.89 -0.09 6.68 -1.09 0.14 -0.64 121.20 132.71 3gq4 s ILE 72 Ca 0.06 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.30 3gq4 s ILE 72 Cb -0.15 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3gq4 s ILE 72 CO 0.04 0.12 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.13 3gq4 s SER 73 N 1.67 2.53 -0.14 3.58 0.15 0.09 -1.09 113.70 120.49 3gq4 s SER 73 Ca 0.06 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.27 3gq4 s SER 73 Cb -0.17 -1.16 -0.00 0.00 -1.71 0.00 0.00 66.02 62.98 3gq4 s SER 73 CO 0.08 0.11 -0.18 -2.28 1.20 0.00 0.00 173.24 172.17 3gq4 s HIS 74 N 0.48 2.72 -0.57 3.44 2.46 -0.52 -0.84 115.29 122.47 3gq4 s HIS 74 Ca -0.17 -1.03 0.24 0.00 0.47 0.00 0.00 55.06 54.58 3gq4 s HIS 74 Cb -0.17 -1.83 0.51 0.00 -0.13 0.00 0.00 32.58 30.95 3gq4 s HIS 74 CO 0.07 -0.44 1.59 -0.07 -2.47 0.00 0.00 174.74 173.42 3gq4 h LEU 75 N 7.08 0.00 0.00 8.88 3.38 -1.87 -1.97 115.31 130.82 3gq4 h LEU 75 Ca -0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gq4 h LEU 75 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3gq4 h LEU 75 CO 0.54 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.63 3gq4 n ARG 76 N -2.59 0.00 0.01 1.13 5.12 -1.26 -0.85 116.66 118.23 3gq4 n ARG 76 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.83 3gq4 n ARG 76 Cb 0.48 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.64 3gq4 n ARG 76 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3gq4 h MET 77 N 0.00 0.12 0.00 5.56 2.86 -1.94 -3.10 114.93 118.42 3gq4 h MET 77 Ca 0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3gq4 h MET 77 Cb 0.00 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3gq4 h MET 77 CO 0.00 0.84 0.00 0.39 1.06 0.00 0.00 176.91 179.20 3gq4 n GLU 78 N -3.26 -0.07 -2.17 1.72 -0.58 -1.17 -4.43 120.64 110.67 3gq4 n GLU 78 Ca -0.18 -0.25 -0.37 0.00 -0.42 0.00 0.00 57.16 55.94 3gq4 n GLU 78 Cb 1.04 -0.63 -0.00 0.00 -0.57 0.00 0.00 31.44 31.28 3gq4 n GLU 78 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3gq4 s GLY 79 N -0.05 2.80 0.05 0.62 0.00 -0.03 -4.40 107.32 106.31 3gq4 s GLY 79 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 44.72 45.50 3gq4 s GLY 79 CO 0.00 1.48 0.54 1.09 0.00 0.00 0.00 173.10 176.21 3gq4 s ARG 80 N -2.71 1.06 0.03 2.90 1.70 -0.15 -4.86 118.95 116.93 3gq4 s ARG 80 Ca 0.65 -0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.75 3gq4 s ARG 80 Cb -0.31 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 3gq4 s ARG 80 CO 0.37 -0.39 -0.16 0.71 -1.08 0.00 0.00 175.30 174.76 3gq4 s TYR 81 N -2.47 2.62 0.05 5.89 1.51 -1.26 -1.03 117.35 122.66 3gq4 s TYR 81 Ca -0.05 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 3gq4 s TYR 81 Cb -0.01 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3gq4 s TYR 81 CO -0.02 0.28 -0.01 0.00 -1.11 0.00 0.00 175.55 174.69 3gq4 s ALA 82 N -0.94 0.38 -0.11 3.71 0.00 -0.71 -4.71 121.76 119.38 3gq4 s ALA 82 Ca 0.15 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3gq4 s ALA 82 Cb -0.11 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3gq4 s ALA 82 CO 0.06 -0.34 -0.18 0.08 0.00 0.00 0.00 175.76 175.37 3gq4 s VAL 83 N -3.44 2.57 0.34 0.00 1.01 -1.26 -0.44 120.40 119.18 3gq4 s VAL 83 Ca 0.02 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3gq4 s VAL 83 Cb 0.04 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3gq4 s VAL 83 CO -0.08 0.54 0.64 0.00 0.00 0.00 0.00 175.10 176.20 3gq4 s ALA 84 N 0.29 -0.26 0.30 5.51 0.00 -0.70 -4.96 121.76 121.93 3gq4 s ALA 84 Ca -0.13 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 3gq4 s ALA 84 Cb -0.17 0.90 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 3gq4 s ALA 84 CO 0.07 -0.91 1.02 0.45 0.00 0.00 0.00 175.76 176.39 3gq4 s SER 85 N -3.10 7.27 0.21 0.00 0.15 -1.26 -0.44 113.70 116.53 3gq4 s SER 85 Ca 0.20 2.07 0.18 0.00 0.70 0.00 0.00 55.95 59.11 3gq4 s SER 85 Cb -0.03 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.53 3gq4 s SER 85 CO 0.13 -0.13 1.54 0.00 1.20 0.00 0.00 173.24 175.98 3gq4 n ALA 86 N 0.90 1.27 0.56 5.45 0.00 -0.33 -2.58 120.51 125.78 3gq4 n ALA 86 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3gq4 n ALA 86 Cb 0.47 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 18.87 3gq4 n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gq4 h LEU 87 N 0.00 0.00 -9.86 0.00 3.38 -1.92 -3.46 115.31 103.45 3gq4 h LEU 87 Ca 0.00 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.22 3gq4 h LEU 87 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3gq4 h LEU 87 CO 0.00 0.08 -0.30 -1.61 0.09 0.00 0.00 178.44 176.70 3gq4 s GLU 88 N -3.16 3.67 0.51 1.13 0.41 -1.07 -5.07 118.70 115.13 3gq4 s GLU 88 Ca 0.07 0.02 -0.23 0.00 -0.41 0.00 0.00 54.97 54.42 3gq4 s GLU 88 Cb 0.13 -2.95 -0.06 0.00 -1.78 0.00 0.00 34.13 29.47 3gq4 s GLU 88 CO 0.69 0.54 1.35 -2.14 -0.49 0.00 0.00 175.26 175.21 3gq4 s PRO 89 N -2.18 3.35 0.57 0.39 0.02 -1.26 -4.97 135.00 130.92 3gq4 s PRO 89 Ca 0.35 2.21 -0.19 0.00 0.02 0.00 0.00 61.00 63.39 3gq4 s PRO 89 Cb -0.13 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 3gq4 s PRO 89 CO 0.20 -1.02 1.19 -0.51 -0.33 0.00 0.00 177.00 176.53 3gq4 s LEU 90 N -3.27 3.70 0.66 -5.54 1.43 -1.26 -5.03 118.68 109.36 3gq4 s LEU 90 Ca 0.68 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 56.00 3gq4 s LEU 90 Cb -0.40 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.24 3gq4 s LEU 90 CO 0.48 -1.48 1.05 -1.61 0.23 0.00 0.00 176.35 175.03 3gq4 s GLU 91 N -3.29 3.12 0.59 1.70 0.41 -1.26 -5.00 118.70 114.97 3gq4 s GLU 91 Ca 0.76 1.00 -0.19 0.00 -0.41 0.00 0.00 54.97 56.13 3gq4 s GLU 91 Cb -0.29 -2.01 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 3gq4 s GLU 91 CO 0.32 -0.95 1.01 -2.30 -0.49 0.00 0.00 175.26 172.84 3gq4 n PRO 92 N -2.76 0.99 -2.10 0.39 -0.02 -1.26 -3.26 135.00 126.98 3gq4 n PRO 92 Ca 0.08 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3gq4 n PRO 92 Cb 0.53 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.80 3gq4 n PRO 92 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gq4 n HIS 93 N -1.62 -0.49 -3.10 6.00 8.25 -1.26 -4.87 115.22 118.14 3gq4 n HIS 93 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 3gq4 n HIS 93 Cb 0.47 -2.66 -0.06 0.00 1.12 0.00 0.00 29.99 28.86 3gq4 n HIS 93 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gq4 s THR 94 N -2.58 4.89 -0.02 1.59 2.01 -1.20 -1.47 115.64 118.85 3gq4 s THR 94 Ca 0.00 0.67 0.12 0.00 0.31 0.00 0.00 61.69 62.80 3gq4 s THR 94 Cb 0.00 -4.07 -0.19 0.00 0.01 0.00 0.00 72.50 68.25 3gq4 s THR 94 CO 0.00 -0.28 0.26 1.41 -0.69 0.00 0.00 174.62 175.32 3gq4 n HIS 95 N 6.03 0.00 -3.83 4.92 8.25 -0.11 -4.79 115.22 125.69 3gq4 n HIS 95 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3gq4 n HIS 95 Cb 0.49 -0.30 -0.14 0.00 1.12 0.00 0.00 29.99 31.16 3gq4 n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gq4 s VAL 96 N -2.83 -0.01 -0.04 1.59 1.01 -1.18 -0.18 120.40 118.76 3gq4 s VAL 96 Ca -0.05 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3gq4 s VAL 96 Cb 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.34 3gq4 s VAL 96 CO 0.51 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 3gq4 s VAL 97 N 0.26 0.71 -0.27 2.92 1.01 0.08 -0.44 120.40 124.67 3gq4 s VAL 97 Ca -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3gq4 s VAL 97 Cb -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3gq4 s VAL 97 CO -0.01 0.25 0.07 -0.36 0.00 0.00 0.00 175.10 175.05 3gq4 s PHE 98 N 0.69 3.10 -0.17 5.22 0.40 0.32 -0.63 117.98 126.91 3gq4 s PHE 98 Ca -0.11 -0.67 -0.14 0.00 -0.60 0.00 0.00 56.93 55.41 3gq4 s PHE 98 Cb -0.14 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3gq4 s PHE 98 CO 0.01 -0.46 0.32 0.00 0.70 0.00 0.00 175.22 175.79 3gq4 s PHE 100 N 0.65 3.46 -0.76 0.00 0.08 0.15 0.64 117.98 122.19 3gq4 s PHE 100 Ca 0.17 0.03 0.16 0.00 0.12 0.00 0.00 56.93 57.41 3gq4 s PHE 100 Cb -0.13 -1.61 0.70 0.00 -0.57 0.00 0.00 43.02 41.41 3gq4 s PHE 100 CO 0.05 0.44 1.49 0.25 -0.10 0.00 0.00 175.22 177.36 3gq4 n THR 101 N -1.22 1.09 0.30 0.64 -2.24 0.10 -1.98 114.28 110.97 3gq4 n THR 101 Ca -0.08 0.33 0.09 0.00 -2.27 0.00 0.00 64.05 62.11 3gq4 n THR 101 Cb 0.56 -1.19 0.24 0.00 -2.10 0.00 0.00 70.33 67.84 3gq4 n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gq4 n ASP 102 N -1.81 2.87 0.00 3.42 3.85 -1.26 -4.93 116.55 118.69 3gq4 n ASP 102 Ca 0.02 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 3gq4 n ASP 102 Cb 0.15 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3gq4 n ASP 102 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gq4 n GLY 103 N 1.35 1.21 3.96 6.12 0.00 -0.84 -5.04 105.19 111.96 3gq4 n GLY 103 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3gq4 n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gq4 s SER 104 N -3.12 5.38 0.01 1.61 1.04 -1.26 -1.18 113.70 116.17 3gq4 s SER 104 Ca 0.00 0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.60 3gq4 s SER 104 Cb 0.00 -1.12 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 3gq4 s SER 104 CO 0.00 -1.09 -0.01 -1.61 0.98 0.00 0.00 173.24 171.52 3gq4 s GLU 105 N -4.79 0.11 -0.33 4.02 2.02 0.42 -0.68 118.70 119.47 3gq4 s GLU 105 Ca 0.55 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 55.18 3gq4 s GLU 105 Cb -0.10 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.15 3gq4 s GLU 105 CO 0.40 -0.02 0.37 -1.17 0.02 0.00 0.00 175.26 174.86 3gq4 s LEU 106 N -0.51 4.35 -0.18 1.80 2.96 0.39 -1.72 118.68 125.77 3gq4 s LEU 106 Ca -0.06 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3gq4 s LEU 106 Cb -0.03 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3gq4 s LEU 106 CO -0.00 -0.32 0.04 -0.13 -1.32 0.00 0.00 176.35 174.63 3gq4 s ARG 107 N 2.05 3.90 -0.26 1.98 3.00 0.42 -0.52 118.95 129.51 3gq4 s ARG 107 Ca 0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 55.73 55.38 3gq4 s ARG 107 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 34.95 31.58 3gq4 s ARG 107 CO 0.11 0.24 0.12 -0.47 0.00 0.00 0.00 175.30 175.30 3gq4 s TYR 108 N 0.45 3.14 0.03 -0.53 6.14 0.41 -1.75 117.35 125.25 3gq4 s TYR 108 Ca 0.02 -0.21 0.06 0.00 0.64 0.00 0.00 57.07 57.58 3gq4 s TYR 108 Cb -0.13 -2.30 -0.03 0.00 0.42 0.00 0.00 41.96 39.92 3gq4 s TYR 108 CO 0.01 -0.28 -0.13 1.03 0.64 0.00 0.00 175.55 176.82 3gq4 s ARG 109 N 1.67 2.27 -0.32 4.97 0.52 -0.20 -0.94 118.95 126.93 3gq4 s ARG 109 Ca 0.07 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3gq4 s ARG 109 Cb -0.15 -2.32 0.19 0.00 0.52 0.00 0.00 34.95 33.19 3gq4 s ARG 109 CO 0.07 0.56 0.73 0.34 0.02 0.00 0.00 175.30 177.02 3gq4 s ASP 110 N -1.47 -1.26 0.30 0.23 3.68 -0.54 -0.97 116.67 116.63 3gq4 s ASP 110 Ca 0.16 -0.09 -0.00 0.00 2.13 0.00 0.00 52.55 54.75 3gq4 s ASP 110 Cb -0.11 1.73 0.50 0.00 -1.45 0.00 0.00 42.92 43.60 3gq4 s ASP 110 CO 0.07 -0.20 1.91 0.58 0.13 0.00 0.00 175.17 177.65 3gq4 h VAL 111 N 5.26 1.08 -0.00 1.11 2.07 -1.80 -2.15 116.25 121.82 3gq4 h VAL 111 Ca -0.02 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3gq4 h VAL 111 Cb 1.19 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3gq4 h VAL 111 CO 0.07 0.19 -0.42 0.54 0.02 0.00 0.00 177.57 177.97 3gq4 n ARG 112 N -4.48 0.23 -1.50 1.57 1.74 -1.26 -4.95 116.66 108.00 3gq4 n ARG 112 Ca 0.14 -0.13 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 3gq4 n ARG 112 Cb 0.18 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 3gq4 n ARG 112 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gq4 n LYS 113 N -1.27 -1.05 0.20 5.56 5.02 -0.81 -4.90 118.16 120.92 3gq4 n LYS 113 Ca 0.07 1.00 0.10 0.00 -2.02 0.00 0.00 58.31 57.46 3gq4 n LYS 113 Cb 0.34 -5.15 0.14 0.00 -0.02 0.00 0.00 35.03 30.34 3gq4 n LYS 113 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3gq4 h PHE 114 N 0.00 0.00 -4.25 2.13 0.05 -1.89 -3.45 116.94 109.52 3gq4 h PHE 114 Ca -0.31 0.00 -0.52 0.00 3.82 0.00 0.00 57.97 60.96 3gq4 h PHE 114 Cb 0.99 0.00 0.18 0.00 2.00 0.00 0.00 35.95 39.12 3gq4 h PHE 114 CO 0.42 0.11 0.28 0.20 -0.18 0.00 0.00 178.31 179.13 3gq4 s GLY 115 N -4.26 1.86 0.08 -1.45 0.00 -1.26 -4.83 107.32 97.45 3gq4 s GLY 115 Ca 0.06 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.45 3gq4 s GLY 115 CO 0.69 1.03 -0.13 -0.51 0.00 0.00 0.00 173.10 174.18 3gq4 s THR 116 N -2.51 1.07 -0.03 0.90 -4.23 -0.74 -4.53 115.64 105.56 3gq4 s THR 116 Ca 0.68 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3gq4 s THR 116 Cb -0.24 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.43 3gq4 s THR 116 CO 0.54 -0.35 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.20 3gq4 s MET 117 N -2.16 0.59 -0.04 3.99 -1.94 -0.06 -1.44 119.30 118.24 3gq4 s MET 117 Ca 0.01 -0.06 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 3gq4 s MET 117 Cb -0.07 -0.65 0.00 0.00 2.01 0.00 0.00 34.83 36.12 3gq4 s MET 117 CO 0.02 -0.07 -0.14 -1.01 -0.01 0.00 0.00 175.02 173.80 3gq4 s HIS 118 N 0.79 1.48 -0.13 -0.03 3.76 -0.25 -0.74 115.29 120.16 3gq4 s HIS 118 Ca -0.09 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3gq4 s HIS 118 Cb -0.13 -1.02 -0.00 0.00 1.11 0.00 0.00 32.58 32.55 3gq4 s HIS 118 CO -0.00 -0.16 -0.20 0.08 -0.85 0.00 0.00 174.74 173.61 3gq4 s VAL 119 N 0.15 2.36 0.12 -0.90 1.01 0.81 0.24 120.40 124.19 3gq4 s VAL 119 Ca -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3gq4 s VAL 119 Cb -0.11 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3gq4 s VAL 119 CO 0.02 0.54 -0.07 -0.31 0.00 0.00 0.00 175.10 175.29 3gq4 s TYR 120 N 0.56 1.00 0.38 5.22 2.02 -0.89 -4.25 117.35 121.37 3gq4 s TYR 120 Ca -0.12 -0.90 -0.26 0.00 -0.37 0.00 0.00 57.07 55.43 3gq4 s TYR 120 Cb -0.16 -0.56 -0.12 0.00 -0.40 0.00 0.00 41.96 40.72 3gq4 s TYR 120 CO 0.04 -0.11 1.00 0.00 -1.57 0.00 0.00 175.55 174.90 3gq4 n ALA 121 N -0.09 0.02 -0.24 3.71 0.00 -1.26 -0.58 120.51 122.06 3gq4 n ALA 121 Ca -0.11 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.66 3gq4 n ALA 121 Cb 0.61 -2.05 0.17 0.00 0.00 0.00 0.00 19.45 18.17 3gq4 n ALA 121 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gq4 h LYS 122 N 1.69 0.27 0.00 0.00 1.57 -1.42 0.06 116.57 118.74 3gq4 h LYS 122 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3gq4 h LYS 122 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3gq4 h LYS 122 CO 0.58 0.18 0.00 -0.85 -0.57 0.00 0.00 179.45 178.79 3gq4 n GLU 123 N -5.14 0.08 -0.05 3.15 0.00 -1.26 -2.71 120.64 114.71 3gq4 n GLU 123 Ca 0.13 0.32 -0.00 0.00 0.00 0.00 0.00 57.16 57.61 3gq4 n GLU 123 Cb 0.43 -1.66 -0.16 0.00 0.00 0.00 0.00 31.44 30.05 3gq4 n GLU 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3gq4 n GLU 124 N -1.82 0.67 -0.36 3.44 -0.58 -0.02 -4.65 120.64 117.32 3gq4 n GLU 124 Ca 0.03 -0.07 0.04 0.00 -0.42 0.00 0.00 57.16 56.74 3gq4 n GLU 124 Cb 0.20 -1.55 0.19 0.00 -0.57 0.00 0.00 31.44 29.71 3gq4 n GLU 124 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gq4 h ALA 125 N 1.47 1.40 0.00 0.62 0.00 -1.27 -1.73 119.26 119.75 3gq4 h ALA 125 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gq4 h ALA 125 Cb 1.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3gq4 h ALA 125 CO 0.02 0.33 0.00 -0.44 0.00 0.00 0.00 179.25 179.16 3gq4 h ASP 126 N 1.07 0.00 -0.50 0.00 3.32 -1.83 -3.07 116.42 115.41 3gq4 h ASP 126 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3gq4 h ASP 126 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3gq4 h ASP 126 CO -0.21 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 175.20 3gq4 n ARG 127 N -2.89 2.56 -4.50 3.56 1.85 -0.66 -3.66 116.66 112.92 3gq4 n ARG 127 Ca 0.02 -2.37 -0.25 0.00 -1.00 0.00 0.00 57.85 54.26 3gq4 n ARG 127 Cb 0.38 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.19 3gq4 n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3gq4 s ARG 128 N -1.23 1.73 0.55 2.89 1.81 -1.15 -4.81 118.95 118.75 3gq4 s ARG 128 Ca 0.40 -1.83 -0.21 0.00 -1.72 0.00 0.00 55.73 52.37 3gq4 s ARG 128 Cb 0.22 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.93 3gq4 s ARG 128 CO 0.30 0.26 1.31 -2.14 -0.68 0.00 0.00 175.30 174.35 3gq4 s PRO 129 N -3.55 3.12 0.00 3.54 0.02 -1.26 -1.58 135.00 135.29 3gq4 s PRO 129 Ca 0.31 2.11 0.26 0.00 0.02 0.00 0.00 61.00 63.70 3gq4 s PRO 129 Cb -0.02 -2.18 0.61 0.00 0.02 0.00 0.00 34.50 32.93 3gq4 s PRO 129 CO 0.16 -1.17 1.48 -0.35 -0.33 0.00 0.00 177.00 176.79 3gq4 n PRO 130 N -1.14 1.29 0.14 5.54 -0.04 -1.26 -4.86 135.00 134.67 3gq4 n PRO 130 Ca 0.11 -0.87 0.02 0.00 -0.04 0.00 0.00 63.50 62.72 3gq4 n PRO 130 Cb 0.46 -1.48 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 3gq4 n PRO 130 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gq4 h LEU 131 N 2.14 0.00 -0.88 1.53 3.38 -1.70 -3.36 115.31 116.41 3gq4 h LEU 131 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3gq4 h LEU 131 Cb 0.61 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3gq4 h LEU 131 CO 0.00 0.54 0.53 0.00 0.09 0.00 0.00 178.44 179.60 3gq4 h ALA 132 N 1.46 1.25 -0.00 1.53 0.00 -1.36 -2.36 119.26 119.79 3gq4 h ALA 132 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gq4 h ALA 132 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gq4 h ALA 132 CO 0.07 0.20 -0.18 -0.85 0.00 0.00 0.00 179.25 178.49 3gq4 n GLU 133 N -4.66 0.32 -1.84 0.00 0.00 -1.26 -4.95 120.64 108.25 3gq4 n GLU 133 Ca 0.14 -0.11 -0.41 0.00 0.00 0.00 0.00 57.16 56.78 3gq4 n GLU 133 Cb 0.25 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.18 3gq4 n GLU 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3gq4 s LEU 134 N -2.76 4.35 0.00 -1.84 1.43 -0.89 -4.38 118.68 114.60 3gq4 s LEU 134 Ca 0.20 2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 56.03 3gq4 s LEU 134 Cb 0.19 -3.64 0.23 0.00 0.03 0.00 0.00 46.19 43.01 3gq4 s LEU 134 CO 0.55 -0.85 1.08 0.61 0.23 0.00 0.00 176.35 177.97 3gq4 n GLY 135 N 1.86 -2.06 3.78 -3.19 0.00 0.42 -4.93 105.19 101.07 3gq4 n GLY 135 Ca 0.06 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 3gq4 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gq4 s PRO 136 N -5.40 3.16 0.11 1.61 0.04 -1.26 -3.92 135.00 129.34 3gq4 s PRO 136 Ca 0.65 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 3gq4 s PRO 136 Cb -0.04 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3gq4 s PRO 136 CO 0.47 -0.96 1.65 -1.21 0.04 0.00 0.00 177.00 177.00 3gq4 s GLU 137 N -3.87 4.19 0.51 4.56 0.41 -1.26 -0.64 118.70 122.60 3gq4 s GLU 137 Ca 0.67 2.38 0.27 0.00 -0.41 0.00 0.00 54.97 57.88 3gq4 s GLU 137 Cb -0.19 -3.45 1.34 0.00 -1.78 0.00 0.00 34.13 30.05 3gq4 s GLU 137 CO 0.35 -0.71 2.02 -1.00 -0.49 0.00 0.00 175.26 175.43 3gq4 h PRO 138 N 7.86 0.00 -0.24 0.39 0.13 -1.94 -2.10 132.00 136.10 3gq4 h PRO 138 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3gq4 h PRO 138 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gq4 h PRO 138 CO 0.93 0.14 0.00 1.28 -0.23 0.00 0.00 178.00 180.12 3gq4 n LEU 139 N -3.56 1.74 -4.86 1.56 4.77 -1.26 -4.77 117.00 110.63 3gq4 n LEU 139 Ca -0.01 -0.79 -0.22 0.00 -0.03 0.00 0.00 56.01 54.96 3gq4 n LEU 139 Cb 0.28 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3gq4 n LEU 139 CO 0.31 0.40 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.69 3gq4 s SER 140 N -1.33 5.66 0.66 -1.43 1.04 -0.79 -5.00 113.70 112.51 3gq4 s SER 140 Ca 0.29 -0.21 0.44 0.00 0.48 0.00 0.00 55.95 56.95 3gq4 s SER 140 Cb 0.15 -1.45 2.38 0.00 0.10 0.00 0.00 66.02 67.20 3gq4 s SER 140 CO 0.22 -0.07 2.35 -0.65 0.98 0.00 0.00 173.24 176.07 3gq4 h PRO 141 N 1.40 0.00 0.00 4.02 0.11 -1.91 -2.14 132.00 133.48 3gq4 h PRO 141 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gq4 h PRO 141 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gq4 h PRO 141 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3gq4 h ALA 142 N 2.00 1.00 -2.84 -0.75 0.00 -1.95 -3.37 119.26 113.35 3gq4 h ALA 142 Ca -0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 3gq4 h ALA 142 Cb 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.59 3gq4 h ALA 142 CO 0.00 0.00 -0.54 0.12 0.00 0.00 0.00 179.25 178.83 3gq4 s PHE 143 N -3.72 3.21 0.18 0.00 5.99 -0.81 -4.85 117.98 117.98 3gq4 s PHE 143 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 56.93 56.20 3gq4 s PHE 143 Cb 0.10 -2.40 -0.05 0.00 0.00 0.00 0.00 43.02 40.67 3gq4 s PHE 143 CO 0.48 -0.54 0.02 -1.54 -0.00 0.00 0.00 175.22 173.64 3gq4 s SER 144 N 1.59 1.05 0.30 6.13 1.04 -1.26 -4.81 113.70 117.73 3gq4 s SER 144 Ca 0.03 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.28 3gq4 s SER 144 Cb -0.18 0.16 0.60 0.00 0.10 0.00 0.00 66.02 66.69 3gq4 s SER 144 CO 0.07 -0.62 1.85 -0.65 0.98 0.00 0.00 173.24 174.86 3gq4 h PRO 145 N 2.68 0.92 -0.61 4.02 0.11 -1.94 -1.18 132.00 136.01 3gq4 h PRO 145 Ca -0.37 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3gq4 h PRO 145 Cb 1.21 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3gq4 h PRO 145 CO 0.62 0.61 0.38 0.00 -0.21 0.00 0.00 178.00 179.40 3gq4 h ALA 146 N 1.55 0.77 -0.63 -0.75 0.00 -1.96 0.25 119.26 118.50 3gq4 h ALA 146 Ca 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3gq4 h ALA 146 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3gq4 h ALA 146 CO -0.25 0.24 0.26 0.28 0.00 0.00 0.00 179.25 179.78 3gq4 h VAL 147 N 0.82 1.23 -0.22 0.00 2.07 -1.76 -1.28 116.25 117.11 3gq4 h VAL 147 Ca 0.22 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3gq4 h VAL 147 Cb -0.05 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3gq4 h VAL 147 CO -0.04 0.28 0.01 0.25 0.02 0.00 0.00 177.57 178.08 3gq4 h LEU 148 N 0.87 0.37 -0.91 2.57 5.85 -0.75 -3.14 115.31 120.18 3gq4 h LEU 148 Ca 0.21 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3gq4 h LEU 148 Cb 0.18 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3gq4 h LEU 148 CO -0.02 0.58 0.58 0.00 -0.34 0.00 0.00 178.44 179.24 3gq4 h ALA 149 N 0.81 1.23 -0.89 1.25 0.00 -0.36 -1.13 119.26 120.17 3gq4 h ALA 149 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gq4 h ALA 149 Cb 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3gq4 h ALA 149 CO 0.01 0.37 0.58 1.49 0.00 0.00 0.00 179.25 181.71 3gq4 h GLU 150 N 1.08 1.09 0.12 0.00 4.22 -1.20 -1.70 114.58 118.18 3gq4 h GLU 150 Ca 0.38 -0.07 -0.28 0.00 0.08 0.00 0.00 59.36 59.47 3gq4 h GLU 150 Cb 0.11 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gq4 h GLU 150 CO -0.15 0.72 -1.35 0.00 -2.18 0.00 0.00 179.01 176.04 3gq4 h ARG 151 N 1.12 0.26 -0.50 1.92 2.47 -1.42 -3.36 114.38 114.86 3gq4 h ARG 151 Ca 0.35 -0.44 -0.07 0.00 -1.26 0.00 0.00 59.98 58.56 3gq4 h ARG 151 Cb 0.00 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3gq4 h ARG 151 CO -0.10 1.17 0.02 0.00 0.56 0.00 0.00 179.97 181.61 3gq4 h ALA 152 N 0.56 1.09 0.00 0.04 0.00 -0.81 -3.10 119.26 117.04 3gq4 h ALA 152 Ca -0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3gq4 h ALA 152 Cb 1.99 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3gq4 h ALA 152 CO 0.19 0.58 -0.09 -0.39 0.00 0.00 0.00 179.25 179.54 3gq4 h VAL 153 N 0.77 0.18 -0.00 0.00 -1.51 -1.46 -2.35 116.25 111.88 3gq4 h VAL 153 Ca 0.15 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3gq4 h VAL 153 Cb 0.45 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3gq4 h VAL 153 CO 0.02 0.09 -0.16 0.29 -1.23 0.00 0.00 177.57 176.58 3gq4 n LYS 154 N -3.16 0.60 -3.97 5.19 5.02 -1.17 -4.82 118.16 115.85 3gq4 n LYS 154 Ca 0.02 -0.24 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 3gq4 n LYS 154 Cb 0.47 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 3gq4 n LYS 154 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3gq4 s THR 155 N -2.57 0.16 -2.21 -0.18 -1.32 -1.19 -5.02 115.64 103.32 3gq4 s THR 155 Ca 0.25 -0.50 0.25 0.00 -1.21 0.00 0.00 61.69 60.48 3gq4 s THR 155 Cb 0.20 -0.22 0.22 0.00 -1.51 0.00 0.00 72.50 71.18 3gq4 s THR 155 CO 0.51 -0.22 1.39 2.29 -2.21 0.00 0.00 174.62 176.38 3gq4 n LYS 156 N 2.31 1.38 -1.06 7.08 0.00 -1.26 -2.26 118.16 124.35 3gq4 n LYS 156 Ca -0.18 -1.00 -0.34 0.00 -0.00 0.00 0.00 58.31 56.79 3gq4 n LYS 156 Cb 0.57 -1.48 0.11 0.00 -0.00 0.00 0.00 35.03 34.23 3gq4 n LYS 156 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3gq4 n ARG 157 N 0.07 0.08 -1.85 -1.58 1.85 -1.26 -4.30 116.66 109.67 3gq4 n ARG 157 Ca 0.13 0.09 -0.37 0.00 -1.00 0.00 0.00 57.85 56.70 3gq4 n ARG 157 Cb 0.43 -2.10 0.05 0.00 -1.05 0.00 0.00 32.46 29.79 3gq4 n ARG 157 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3gq4 s SER 158 N -1.91 4.84 0.38 2.89 1.04 -1.26 -0.59 113.70 119.09 3gq4 s SER 158 Ca 0.67 2.54 0.05 0.00 0.48 0.00 0.00 55.95 59.69 3gq4 s SER 158 Cb -0.29 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 63.98 3gq4 s SER 158 CO 0.57 -1.84 2.02 1.62 0.98 0.00 0.00 173.24 176.60 3gq4 h VAL 159 N 0.70 1.11 -0.09 5.02 3.04 -0.38 -1.58 116.25 124.07 3gq4 h VAL 159 Ca -0.51 -0.24 0.01 0.00 -1.01 0.00 0.00 66.70 64.95 3gq4 h VAL 159 Cb 1.32 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 3gq4 h VAL 159 CO 0.54 0.13 -0.01 0.50 -1.01 0.00 0.00 177.57 177.72 3gq4 h LYS 160 N 0.71 0.02 -0.94 4.17 3.64 -1.72 -1.80 116.57 120.65 3gq4 h LYS 160 Ca 0.22 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3gq4 h LYS 160 Cb -0.00 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3gq4 h LYS 160 CO -0.05 0.01 0.61 0.00 -2.27 0.00 0.00 179.45 177.75 3gq4 h ALA 161 N 1.08 1.43 -0.04 5.00 0.00 -1.69 -1.47 119.26 123.56 3gq4 h ALA 161 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gq4 h ALA 161 Cb 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gq4 h ALA 161 CO -0.07 0.46 -0.02 1.25 0.00 0.00 0.00 179.25 180.87 3gq4 h LEU 162 N 1.14 -0.05 -1.18 0.00 5.85 -0.96 -2.66 115.31 117.44 3gq4 h LEU 162 Ca 0.39 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.06 3gq4 h LEU 162 Cb 0.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3gq4 h LEU 162 CO -0.13 -0.02 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.60 3gq4 h LEU 163 N -0.01 0.00 -0.04 2.25 3.38 -0.89 -2.49 115.31 117.51 3gq4 h LEU 163 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gq4 h LEU 163 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gq4 h LEU 163 CO -0.05 0.28 0.00 0.18 0.09 0.00 0.00 178.44 178.94 3gq4 n LEU 164 N -3.54 0.22 -4.60 1.67 4.77 -0.59 -4.65 117.00 110.29 3gq4 n LEU 164 Ca -0.00 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 3gq4 n LEU 164 Cb 0.43 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3gq4 n LEU 164 CO 0.35 -0.10 0.95 -0.62 -1.33 0.00 0.00 177.39 176.63 3gq4 s ASP 165 N -3.42 6.64 0.60 -1.43 3.68 -0.94 -4.91 116.67 116.89 3gq4 s ASP 165 Ca 0.12 0.46 0.39 0.00 2.13 0.00 0.00 52.55 55.65 3gq4 s ASP 165 Cb 0.16 -2.52 2.02 0.00 -1.45 0.00 0.00 42.92 41.12 3gq4 s ASP 165 CO 0.50 -1.15 2.20 0.00 0.13 0.00 0.00 175.17 176.85 3gq4 h THR 167 N 0.00 0.19 0.06 0.00 1.35 -1.91 0.12 112.91 112.72 3gq4 h THR 167 Ca 0.00 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3gq4 h THR 167 Cb 0.14 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3gq4 h THR 167 CO 0.00 0.10 -0.03 0.58 -0.25 0.00 0.00 175.52 175.92 3gq4 h VAL 168 N 0.00 1.18 -2.49 6.82 2.07 -1.33 -3.32 116.25 119.17 3gq4 h VAL 168 Ca -0.00 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.90 3gq4 h VAL 168 Cb 1.00 2.08 -0.22 0.00 -1.52 0.00 0.00 31.29 32.63 3gq4 h VAL 168 CO 0.01 0.34 -0.09 0.54 0.02 0.00 0.00 177.57 178.40 3gq4 s VAL 169 N -2.97 0.01 0.33 2.57 0.11 -1.19 -4.27 120.40 114.99 3gq4 s VAL 169 Ca -0.14 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.66 3gq4 s VAL 169 Cb -0.01 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 3gq4 s VAL 169 CO 0.53 -0.04 0.78 0.00 -3.33 0.00 0.00 175.10 173.05 3gq4 s ALA 170 N -0.18 3.28 0.00 1.54 0.00 0.19 -4.33 121.76 122.26 3gq4 s ALA 170 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3gq4 s ALA 170 Cb -0.03 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3gq4 s ALA 170 CO 0.03 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3gq4 n GLY 171 N -0.22 0.54 3.76 0.00 0.00 -1.26 -4.27 105.19 103.73 3gq4 n GLY 171 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3gq4 n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gq4 s PHE 172 N -2.23 3.52 0.00 1.61 0.40 -1.26 -1.53 117.98 118.50 3gq4 s PHE 172 Ca 0.00 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 3gq4 s PHE 172 Cb 0.00 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.21 3gq4 s PHE 172 CO 0.00 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.67 3gq4 n GLY 173 N 3.00 6.06 0.34 4.36 0.00 -1.26 -4.67 105.19 113.03 3gq4 n GLY 173 Ca -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 3gq4 n GLY 173 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gq4 h ASN 174 N 0.00 0.90 0.25 1.61 -1.24 -1.97 -0.52 115.58 114.61 3gq4 h ASN 174 Ca 0.00 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 3gq4 h ASN 174 Cb 0.00 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.82 3gq4 h ASN 174 CO 0.00 0.70 -0.12 0.40 -1.29 0.00 0.00 177.43 177.12 3gq4 h ILE 175 N 1.04 0.77 0.00 2.57 2.04 -1.97 -2.93 117.51 119.04 3gq4 h ILE 175 Ca 0.27 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3gq4 h ILE 175 Cb -0.03 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3gq4 h ILE 175 CO -0.05 0.15 -0.20 1.88 0.00 0.00 0.00 178.15 179.93 3gq4 h TYR 176 N -0.75 0.00 0.03 1.37 -1.99 -1.88 -1.36 116.97 112.38 3gq4 h TYR 176 Ca -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.69 3gq4 h TYR 176 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 3gq4 h TYR 176 CO 0.04 0.20 -0.01 0.28 -0.00 0.00 0.00 178.16 178.66 3gq4 h VAL 177 N 0.00 1.27 -0.83 -2.88 2.07 -1.20 -0.95 116.25 113.73 3gq4 h VAL 177 Ca -0.00 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3gq4 h VAL 177 Cb 1.00 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 3gq4 h VAL 177 CO 0.03 0.24 0.55 0.44 0.02 0.00 0.00 177.57 178.84 3gq4 h ASP 178 N -0.44 0.95 -0.28 0.57 5.19 -1.29 -1.60 116.42 119.52 3gq4 h ASP 178 Ca -0.00 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3gq4 h ASP 178 Cb 0.41 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3gq4 h ASP 178 CO 0.01 0.69 0.00 -0.33 -3.12 0.00 0.00 179.24 176.49 3gq4 h GLU 179 N 1.12 0.49 -0.83 3.56 4.39 -1.29 -1.28 114.58 120.75 3gq4 h GLU 179 Ca 0.30 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 3gq4 h GLU 179 Cb -0.13 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 3gq4 h GLU 179 CO -0.07 0.64 0.40 0.77 -1.16 0.00 0.00 179.01 179.60 3gq4 h SER 180 N 0.28 1.08 -0.47 1.42 0.02 -0.97 -1.10 113.55 113.80 3gq4 h SER 180 Ca 0.08 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3gq4 h SER 180 Cb 0.42 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3gq4 h SER 180 CO 0.01 0.91 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.35 3gq4 h LEU 181 N 1.17 0.97 -0.00 5.07 3.38 -1.17 -0.85 115.31 123.89 3gq4 h LEU 181 Ca 0.29 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3gq4 h LEU 181 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gq4 h LEU 181 CO -0.04 1.14 -0.03 0.15 0.09 0.00 0.00 178.44 179.75 3gq4 h PHE 182 N 0.80 -0.08 0.00 1.13 3.57 -0.98 -1.10 116.94 120.28 3gq4 h PHE 182 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3gq4 h PHE 182 Cb 0.76 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3gq4 h PHE 182 CO 0.05 -0.05 -0.09 0.00 -2.23 0.00 0.00 178.31 175.99 3gq4 h ARG 183 N -0.06 0.00 -0.00 1.11 3.08 -1.01 -1.27 114.38 116.23 3gq4 h ARG 183 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gq4 h ARG 183 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gq4 h ARG 183 CO -0.04 0.09 -0.32 0.00 -1.07 0.00 0.00 179.97 178.64 3gq4 n ALA 184 N -2.50 3.14 -2.50 0.04 0.00 -0.34 -4.97 120.51 113.37 3gq4 n ALA 184 Ca -0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 3gq4 n ALA 184 Cb 0.17 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.41 3gq4 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq4 n GLY 185 N 1.46 0.28 3.11 0.00 0.00 -0.48 -4.82 105.19 104.74 3gq4 n GLY 185 Ca 0.08 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3gq4 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gq4 s ILE 186 N -2.73 1.69 0.32 -0.61 1.01 -0.53 -1.68 121.20 118.68 3gq4 s ILE 186 Ca 0.10 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 3gq4 s ILE 186 Cb -0.04 -1.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.81 3gq4 s ILE 186 CO 0.12 0.48 1.34 -0.76 0.00 0.00 0.00 174.94 176.12 3gq4 s LEU 187 N 0.79 4.41 0.53 2.97 1.43 -0.01 -4.41 118.68 124.39 3gq4 s LEU 187 Ca -0.10 2.73 0.31 0.00 -1.03 0.00 0.00 54.13 56.04 3gq4 s LEU 187 Cb -0.16 -3.65 1.30 0.00 0.03 0.00 0.00 46.19 43.72 3gq4 s LEU 187 CO 0.01 -0.59 1.97 1.55 0.23 0.00 0.00 176.35 179.51 3gq4 h PRO 188 N 3.56 0.00 -0.01 1.29 0.13 -1.94 -2.64 132.00 132.40 3gq4 h PRO 188 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3gq4 h PRO 188 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3gq4 h PRO 188 CO 0.67 0.06 -0.08 0.41 -0.23 0.00 0.00 178.00 178.83 3gq4 n GLY 189 N -0.02 -0.69 3.74 1.56 0.00 -1.26 -2.26 105.19 106.25 3gq4 n GLY 189 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3gq4 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq4 n ARG 190 N -0.66 2.67 -1.86 1.61 5.12 -1.00 -4.71 116.66 117.83 3gq4 n ARG 190 Ca 0.17 0.95 -0.41 0.00 -1.93 0.00 0.00 57.85 56.62 3gq4 n ARG 190 Cb 0.28 -2.73 -0.01 0.00 -1.16 0.00 0.00 32.46 28.83 3gq4 n ARG 190 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3gq4 s PRO 191 N -0.44 4.17 0.28 5.56 0.02 -1.26 0.12 135.00 143.44 3gq4 s PRO 191 Ca 0.65 2.49 0.01 0.00 0.02 0.00 0.00 61.00 64.16 3gq4 s PRO 191 Cb -0.50 -3.03 0.54 0.00 0.02 0.00 0.00 34.50 31.52 3gq4 s PRO 191 CO 0.48 -0.53 1.83 0.00 -0.33 0.00 0.00 177.00 178.45 3gq4 h ALA 192 N 4.38 1.49 0.00 -1.55 0.00 -1.01 -0.40 119.26 122.16 3gq4 h ALA 192 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gq4 h ALA 192 Cb 1.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gq4 h ALA 192 CO 0.75 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.21 3gq4 n ALA 193 N -2.35 1.42 0.82 0.00 0.00 -0.89 -2.34 120.51 117.18 3gq4 n ALA 193 Ca 0.19 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.85 3gq4 n ALA 193 Cb 0.35 -1.32 0.43 0.00 0.00 0.00 0.00 19.45 18.91 3gq4 n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gq4 n SER 194 N -2.10 0.43 -4.73 0.00 3.41 -0.16 -4.89 113.62 105.59 3gq4 n SER 194 Ca 0.01 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 3gq4 n SER 194 Cb 0.15 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 3gq4 n SER 194 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gq4 s LEU 195 N -3.64 4.42 0.85 1.04 1.43 -0.99 -5.03 118.68 116.77 3gq4 s LEU 195 Ca 0.11 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 3gq4 s LEU 195 Cb 0.16 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.89 3gq4 s LEU 195 CO 0.61 -0.42 1.12 -0.94 0.23 0.00 0.00 176.35 176.94 3gq4 s SER 196 N 0.54 4.01 0.18 2.29 1.04 -1.26 -4.83 113.70 115.67 3gq4 s SER 196 Ca 0.56 1.14 -0.13 0.00 0.48 0.00 0.00 55.95 58.00 3gq4 s SER 196 Cb -0.32 -1.80 0.14 0.00 0.10 0.00 0.00 66.02 64.14 3gq4 s SER 196 CO 0.33 -2.25 1.78 0.28 0.98 0.00 0.00 173.24 174.36 3gq4 h SER 197 N -1.29 0.35 -0.67 7.02 0.02 -1.99 -0.57 113.55 116.42 3gq4 h SER 197 Ca -0.49 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 3gq4 h SER 197 Cb 1.30 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 3gq4 h SER 197 CO 0.61 0.24 0.41 0.50 -1.14 0.00 0.00 176.83 177.45 3gq4 h LYS 198 N 0.49 0.78 -0.62 3.45 3.11 -1.99 -1.36 116.57 120.43 3gq4 h LYS 198 Ca 0.23 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.94 3gq4 h LYS 198 Cb 0.15 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 3gq4 h LYS 198 CO -0.17 0.52 0.09 0.93 -2.81 0.00 0.00 179.45 178.01 3gq4 h GLU 199 N 0.80 1.03 -0.52 1.90 5.08 -1.78 -0.87 114.58 120.21 3gq4 h GLU 199 Ca 0.27 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gq4 h GLU 199 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3gq4 h GLU 199 CO -0.12 0.97 0.34 0.82 -1.00 0.00 0.00 179.01 180.02 3gq4 h ILE 200 N 0.94 1.14 -0.37 3.13 1.08 -0.83 0.16 117.51 122.75 3gq4 h ILE 200 Ca 0.19 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3gq4 h ILE 200 Cb 0.44 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3gq4 h ILE 200 CO 0.01 0.14 0.23 -0.08 -0.69 0.00 0.00 178.15 177.77 3gq4 h GLU 201 N 0.71 0.49 -0.51 2.37 4.57 -0.99 -0.22 114.58 121.01 3gq4 h GLU 201 Ca 0.19 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 3gq4 h GLU 201 Cb -0.06 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 3gq4 h GLU 201 CO -0.04 0.35 0.09 -0.09 -1.18 0.00 0.00 179.01 178.14 3gq4 h ARG 202 N 0.49 0.85 -0.47 1.92 9.65 -0.92 -1.45 114.38 124.45 3gq4 h ARG 202 Ca 0.13 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3gq4 h ARG 202 Cb -0.02 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 3gq4 h ARG 202 CO -0.03 0.84 0.21 1.25 2.80 0.00 0.00 179.97 185.04 3gq4 h LEU 203 N 0.73 0.63 -0.34 3.80 5.85 -0.48 -1.04 115.31 124.46 3gq4 h LEU 203 Ca 0.16 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3gq4 h LEU 203 Cb 0.40 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3gq4 h LEU 203 CO 0.01 0.60 0.22 -0.74 -0.34 0.00 0.00 178.44 178.18 3gq4 h HIS 204 N 0.62 0.41 -0.52 1.25 2.76 -0.83 0.18 115.15 119.02 3gq4 h HIS 204 Ca 0.16 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3gq4 h HIS 204 Cb 0.14 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.93 3gq4 h HIS 204 CO -0.00 0.25 0.28 1.49 -1.30 0.00 0.00 177.93 178.65 3gq4 h GLU 205 N 0.44 0.53 -0.08 5.26 4.81 -1.03 -1.50 114.58 123.03 3gq4 h GLU 205 Ca 0.13 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 3gq4 h GLU 205 Cb -0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3gq4 h GLU 205 CO -0.04 0.35 -0.70 0.93 -0.73 0.00 0.00 179.01 178.83 3gq4 h GLU 206 N 0.55 0.35 -0.17 1.92 4.39 -0.95 -1.27 114.58 119.41 3gq4 h GLU 206 Ca 0.22 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3gq4 h GLU 206 Cb 0.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3gq4 h GLU 206 CO -0.14 0.91 0.11 0.52 -1.16 0.00 0.00 179.01 179.26 3gq4 h MET 207 N 0.25 0.23 -0.40 2.33 2.86 -0.68 0.72 114.93 120.23 3gq4 h MET 207 Ca -0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3gq4 h MET 207 Cb 1.25 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 3gq4 h MET 207 CO 0.12 0.17 0.12 0.28 1.06 0.00 0.00 176.91 178.65 3gq4 h VAL 208 N 0.22 1.22 -0.46 -2.22 2.07 -1.20 -2.17 116.25 113.71 3gq4 h VAL 208 Ca 0.06 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3gq4 h VAL 208 Cb -0.00 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3gq4 h VAL 208 CO -0.01 0.26 0.14 0.00 0.02 0.00 0.00 177.57 177.97 3gq4 h ALA 209 N 0.96 0.60 -0.10 1.67 0.00 -1.11 -1.90 119.26 119.38 3gq4 h ALA 209 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gq4 h ALA 209 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gq4 h ALA 209 CO -0.00 0.26 0.03 1.15 0.00 0.00 0.00 179.25 180.69 3gq4 h THR 210 N 0.61 1.19 -0.43 0.00 2.02 -0.78 -0.63 112.91 114.88 3gq4 h THR 210 Ca 0.15 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3gq4 h THR 210 Cb 0.28 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3gq4 h THR 210 CO -0.00 0.17 0.28 0.40 0.37 0.00 0.00 175.52 176.73 3gq4 h ILE 211 N -0.03 1.12 -0.43 3.11 1.08 -1.37 -0.80 117.51 120.20 3gq4 h ILE 211 Ca 0.03 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3gq4 h ILE 211 Cb 0.23 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3gq4 h ILE 211 CO -0.00 0.12 0.20 1.23 -0.69 0.00 0.00 178.15 179.01 3gq4 h GLY 212 N 0.58 0.66 1.00 5.37 0.00 -1.20 -1.36 103.07 108.13 3gq4 h GLY 212 Ca 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3gq4 h GLY 212 CO -0.03 0.31 0.43 0.83 0.00 0.00 0.00 176.54 178.08 3gq4 h GLU 213 N 0.55 0.93 -0.50 4.80 5.08 -0.90 -2.11 114.58 122.43 3gq4 h GLU 213 Ca 0.15 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3gq4 h GLU 213 Cb 0.12 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3gq4 h GLU 213 CO -0.02 0.65 -0.05 0.00 -1.00 0.00 0.00 179.01 178.59 3gq4 h ALA 214 N 1.23 0.97 -0.37 3.43 0.00 -0.83 -1.63 119.26 122.06 3gq4 h ALA 214 Ca 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gq4 h ALA 214 Cb -0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3gq4 h ALA 214 CO -0.05 0.62 0.23 0.28 0.00 0.00 0.00 179.25 180.33 3gq4 h VAL 215 N 0.80 1.12 -0.35 0.00 2.07 -1.07 0.50 116.25 119.31 3gq4 h VAL 215 Ca 0.14 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3gq4 h VAL 215 Cb 0.55 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3gq4 h VAL 215 CO 0.03 0.12 0.23 0.24 0.02 0.00 0.00 177.57 178.21 3gq4 h MET 216 N 0.49 0.34 -0.55 1.57 2.07 -0.80 -1.82 114.93 116.23 3gq4 h MET 216 Ca 0.13 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 3gq4 h MET 216 Cb -0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.64 3gq4 h MET 216 CO -0.03 0.23 0.00 1.63 1.07 0.00 0.00 176.91 179.81 3gq4 n LYS 217 N -4.49 2.30 -1.45 1.72 4.76 -0.67 -4.93 118.16 115.40 3gq4 n LYS 217 Ca 0.03 -2.01 -0.06 0.00 -2.87 0.00 0.00 58.31 53.40 3gq4 n LYS 217 Cb 0.16 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 3gq4 n LYS 217 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gq4 n GLY 218 N 1.39 0.62 0.00 0.72 0.00 -0.69 -1.11 105.19 106.13 3gq4 n GLY 218 Ca 0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3gq4 n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gq4 n GLY 219 N -1.89 -0.79 3.40 -0.02 0.00 0.11 -3.96 105.19 102.03 3gq4 n GLY 219 Ca -0.06 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 3gq4 n GLY 219 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gq4 s SER 220 N -1.79 5.11 -0.51 1.61 0.01 -1.26 -1.50 113.70 115.36 3gq4 s SER 220 Ca 0.00 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 3gq4 s SER 220 Cb 0.00 -1.90 0.07 0.00 0.21 0.00 0.00 66.02 64.40 3gq4 s SER 220 CO 0.00 -0.11 0.57 -0.89 0.41 0.00 0.00 173.24 173.22 3gq4 s THR 221 N 1.56 4.97 -0.05 1.44 2.01 -1.26 -4.76 115.64 119.56 3gq4 s THR 221 Ca 0.05 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.38 3gq4 s THR 221 Cb -0.16 -4.28 -0.12 0.00 0.01 0.00 0.00 72.50 67.94 3gq4 s THR 221 CO 0.03 -0.80 0.11 1.33 -0.69 0.00 0.00 174.62 174.61 3gq4 n VAL 222 N 5.49 0.29 0.07 3.82 0.24 -1.26 -4.73 118.33 122.25 3gq4 n VAL 222 Ca -0.09 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3gq4 n VAL 222 Cb 0.44 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 3gq4 n VAL 222 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3gq4 n ARG 223 N -2.07 0.00 0.00 7.34 1.74 -1.26 -5.03 116.66 117.38 3gq4 n ARG 223 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3gq4 n ARG 223 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.95 3gq4 n ARG 223 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3gq4 n THR 224 N -2.98 0.00 -2.54 0.55 -2.24 -1.26 -5.07 114.28 100.73 3gq4 n THR 224 Ca 0.00 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 3gq4 n THR 224 Cb 0.00 1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 3gq4 n THR 224 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3gq4 s TYR 225 N -0.06 3.60 0.06 4.78 6.14 -1.26 -5.04 117.35 125.56 3gq4 s TYR 225 Ca 0.00 1.57 -0.04 0.00 0.64 0.00 0.00 57.07 59.25 3gq4 s TYR 225 Cb 0.00 -3.26 -0.03 0.00 0.42 0.00 0.00 41.96 39.09 3gq4 s TYR 225 CO 0.00 -0.58 0.04 0.14 0.64 0.00 0.00 175.55 175.79 3gq4 s VAL 226 N 0.21 0.19 0.77 3.14 -7.23 -1.26 -4.56 120.40 111.65 3gq4 s VAL 226 Ca 0.51 -1.55 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 3gq4 s VAL 226 Cb -0.28 -1.39 0.18 0.00 0.56 0.00 0.00 36.38 35.46 3gq4 s VAL 226 CO 0.32 -0.86 0.86 -0.46 -0.31 0.00 0.00 175.10 174.66 3gq4 n ASN 227 N 0.15 -0.73 0.27 4.85 0.23 0.03 -4.82 115.26 115.25 3gq4 n ASN 227 Ca -0.15 -1.18 0.12 0.00 -0.53 0.00 0.00 54.58 52.85 3gq4 n ASN 227 Cb 0.61 -0.71 0.77 0.00 -2.08 0.00 0.00 39.78 38.37 3gq4 n ASN 227 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3gq4 h THR 228 N -1.90 0.65 -0.17 5.53 2.02 -1.84 0.78 112.91 117.98 3gq4 h THR 228 Ca -0.30 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3gq4 h THR 228 Cb 0.86 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3gq4 h THR 228 CO 0.20 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.16 3gq4 n GLN 229 N -3.87 1.62 -1.31 6.66 3.00 -1.26 -4.80 117.38 117.41 3gq4 n GLN 229 Ca -0.02 -0.93 -0.05 0.00 -0.01 0.00 0.00 57.00 55.98 3gq4 n GLN 229 Cb 0.16 -1.35 -0.02 0.00 0.00 0.00 0.00 30.24 29.04 3gq4 n GLN 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gq4 n GLY 230 N 1.05 0.68 3.72 1.08 0.00 0.27 -5.03 105.19 106.96 3gq4 n GLY 230 Ca 0.15 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3gq4 n GLY 230 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gq4 s GLU 231 N -2.75 4.31 0.55 1.61 2.02 -1.26 -4.76 118.70 118.42 3gq4 s GLU 231 Ca 0.00 0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.10 3gq4 s GLU 231 Cb 0.00 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 3gq4 s GLU 231 CO 0.00 0.17 1.29 0.00 0.02 0.00 0.00 175.26 176.74 3gq4 s ALA 232 N 0.61 2.76 1.22 5.21 0.00 -1.26 -0.79 121.76 129.52 3gq4 s ALA 232 Ca 0.23 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.17 3gq4 s ALA 232 Cb -0.14 -3.51 0.30 0.00 0.00 0.00 0.00 23.12 19.76 3gq4 s ALA 232 CO 0.08 -1.21 1.10 0.20 0.00 0.00 0.00 175.76 175.93 3gq4 s GLY 233 N -1.19 1.58 0.00 0.00 0.00 -1.25 -4.89 107.32 101.56 3gq4 s GLY 233 Ca 0.72 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 44.47 3gq4 s GLY 233 CO 0.42 -0.06 0.43 -1.30 0.00 0.00 0.00 173.10 172.58 3gq4 n THR 234 N -4.83 0.14 0.29 0.90 -2.24 -0.27 -4.48 114.28 103.78 3gq4 n THR 234 Ca 0.14 -0.39 0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3gq4 n THR 234 Cb 0.60 1.21 0.86 0.00 -2.10 0.00 0.00 70.33 70.89 3gq4 n THR 234 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3gq4 h PHE 235 N 0.00 0.00 -0.08 4.78 3.04 -1.35 -2.57 116.94 120.76 3gq4 h PHE 235 Ca 0.00 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.97 3gq4 h PHE 235 Cb 0.28 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 3gq4 h PHE 235 CO 0.00 0.04 0.15 -0.56 -2.02 0.00 0.00 178.31 175.92 3gq4 h GLN 236 N 0.00 0.00 0.00 1.11 -0.00 -1.85 0.28 115.11 114.65 3gq4 h GLN 236 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gq4 h GLN 236 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.80 3gq4 h GLN 236 CO 0.01 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.56 3gq4 n HIS 237 N -3.42 0.00 -0.32 0.06 8.25 -0.97 -3.25 115.22 115.57 3gq4 n HIS 237 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 3gq4 n HIS 237 Cb 0.24 -0.36 0.16 0.00 1.12 0.00 0.00 29.99 31.15 3gq4 n HIS 237 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gq4 n HIS 238 N -1.36 0.50 -2.75 4.41 8.25 0.99 -4.99 115.22 120.27 3gq4 n HIS 238 Ca 0.11 -0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 56.59 3gq4 n HIS 238 Cb 0.27 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 3gq4 n HIS 238 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3gq4 s LEU 239 N -1.35 4.44 -0.02 2.41 1.43 -1.20 -4.96 118.68 119.44 3gq4 s LEU 239 Ca 0.25 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 3gq4 s LEU 239 Cb 0.15 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.59 3gq4 s LEU 239 CO 0.13 -0.14 0.76 1.88 0.23 0.00 0.00 176.35 179.21 3gq4 h TYR 240 N 6.11 0.17 0.00 0.29 0.05 -1.94 -3.46 116.97 118.19 3gq4 h TYR 240 Ca -0.42 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.23 3gq4 h TYR 240 Cb 1.21 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.95 3gq4 h TYR 240 CO 0.66 1.20 -0.28 1.33 -1.05 0.00 0.00 178.16 180.02 3gq4 n VAL 241 N -3.25 0.00 -1.68 -2.88 0.24 -1.26 -4.63 118.33 104.88 3gq4 n VAL 241 Ca -0.16 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.70 3gq4 n VAL 241 Cb 1.03 -0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 33.17 3gq4 n VAL 241 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gq4 n TYR 242 N -1.85 2.48 -0.94 6.34 9.36 -1.26 -1.11 117.16 130.17 3gq4 n TYR 242 Ca 0.00 -0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.05 3gq4 n TYR 242 Cb 0.14 -2.73 0.00 0.00 -0.63 0.00 0.00 39.34 36.12 3gq4 n TYR 242 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gq4 n GLY 243 N 4.35 0.61 1.53 2.98 0.00 -1.26 -4.89 105.19 108.50 3gq4 n GLY 243 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3gq4 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq4 n ARG 244 N -2.05 3.77 -1.64 1.61 1.74 -0.27 -5.00 116.66 114.83 3gq4 n ARG 244 Ca 0.00 -2.88 -0.47 0.00 -0.77 0.00 0.00 57.85 53.73 3gq4 n ARG 244 Cb 0.05 -1.90 -0.04 0.00 -1.02 0.00 0.00 32.46 29.55 3gq4 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gq4 n GLN 245 N 0.94 1.71 0.00 5.56 0.00 -1.26 -1.06 117.38 123.26 3gq4 n GLN 245 Ca 0.25 0.61 0.00 0.00 0.00 0.00 0.00 57.00 57.86 3gq4 n GLN 245 Cb 0.90 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3gq4 n GLN 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gq4 n GLY 246 N 2.46 1.99 3.92 2.61 0.00 -0.08 -4.94 105.19 111.15 3gq4 n GLY 246 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3gq4 n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gq4 s ASN 247 N -3.16 6.40 0.35 1.61 0.01 -0.23 -4.79 114.94 115.13 3gq4 s ASN 247 Ca 0.00 0.52 -0.28 0.00 -0.71 0.00 0.00 52.86 52.39 3gq4 s ASN 247 Cb 0.00 -2.06 -0.10 0.00 0.41 0.00 0.00 41.25 39.50 3gq4 s ASN 247 CO 0.00 -0.13 1.30 -2.84 -1.51 0.00 0.00 177.10 173.92 3gq4 s PRO 248 N -3.53 4.28 0.24 -0.60 0.02 -1.26 -0.78 135.00 133.38 3gq4 s PRO 248 Ca 0.41 2.19 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 3gq4 s PRO 248 Cb -0.11 -3.01 -0.13 0.00 0.02 0.00 0.00 34.50 31.28 3gq4 s PRO 248 CO 0.30 -0.24 1.46 0.00 -0.33 0.00 0.00 177.00 178.20 3gq4 h LYS 250 N 4.53 0.00 0.00 0.00 1.57 -1.90 -0.42 116.57 120.35 3gq4 h LYS 250 Ca -0.45 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.96 3gq4 h LYS 250 Cb 1.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 3gq4 h LYS 250 CO 0.78 0.00 -2.41 0.54 -0.57 0.00 0.00 179.45 177.80 3gq4 n ARG 251 N -3.09 0.69 0.00 3.15 1.74 -1.26 -4.78 116.66 113.11 3gq4 n ARG 251 Ca -0.01 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3gq4 n ARG 251 Cb 0.23 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3gq4 n ARG 251 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gq4 n GLY 253 N 0.43 1.99 3.76 0.00 0.00 -0.17 -4.92 105.19 106.29 3gq4 n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gq4 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gq4 s THR 254 N -3.35 2.97 0.25 2.61 2.01 -1.26 -4.09 115.64 114.78 3gq4 s THR 254 Ca 0.00 0.95 -0.31 0.00 0.31 0.00 0.00 61.69 62.64 3gq4 s THR 254 Cb 0.00 -3.60 -0.11 0.00 0.01 0.00 0.00 72.50 68.79 3gq4 s THR 254 CO 0.00 0.22 1.61 -2.84 -0.69 0.00 0.00 174.62 172.91 3gq4 s PRO 255 N -1.47 4.15 0.31 4.92 0.02 -1.26 -0.09 135.00 141.57 3gq4 s PRO 255 Ca 0.49 2.53 -0.29 0.00 0.02 0.00 0.00 61.00 63.75 3gq4 s PRO 255 Cb -0.37 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 30.99 3gq4 s PRO 255 CO 0.48 -0.63 1.31 0.42 -0.33 0.00 0.00 177.00 178.24 3gq4 s ILE 256 N 0.41 2.80 0.17 2.83 -1.09 0.04 -4.66 121.20 121.70 3gq4 s ILE 256 Ca 0.66 0.77 0.06 0.00 -2.23 0.00 0.00 60.65 59.92 3gq4 s ILE 256 Cb -0.47 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 3gq4 s ILE 256 CO 0.42 0.17 0.07 -1.61 -1.23 0.00 0.00 174.94 172.76 3gq4 s GLU 257 N -1.46 2.65 -0.06 2.79 2.02 -0.28 -0.90 118.70 123.47 3gq4 s GLU 257 Ca 0.50 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.53 3gq4 s GLU 257 Cb -0.39 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.35 3gq4 s GLU 257 CO 0.50 0.47 -0.11 0.21 0.02 0.00 0.00 175.26 176.34 3gq4 s LYS 258 N -3.03 1.51 0.15 1.61 2.20 -1.26 -1.69 119.74 119.23 3gq4 s LYS 258 Ca 0.29 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.55 3gq4 s LYS 258 Cb -0.10 -1.28 -0.01 0.00 -1.51 0.00 0.00 37.83 34.93 3gq4 s LYS 258 CO 0.21 0.04 0.10 0.25 -0.36 0.00 0.00 175.35 175.59 3gq4 n THR 259 N 3.72 0.00 -4.19 3.43 -2.24 0.02 -4.94 114.28 110.08 3gq4 n THR 259 Ca -0.22 -1.02 -0.34 0.00 -2.27 0.00 0.00 64.05 60.20 3gq4 n THR 259 Cb 0.52 0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 69.08 3gq4 n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gq4 s VAL 260 N -2.47 3.47 -0.02 2.28 1.01 -1.26 -0.56 120.40 122.86 3gq4 s VAL 260 Ca 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3gq4 s VAL 260 Cb 0.01 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3gq4 s VAL 260 CO 0.10 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3gq4 s VAL 261 N 1.00 0.50 -1.37 2.92 1.01 -0.65 -4.79 120.40 119.02 3gq4 s VAL 261 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 3gq4 s VAL 261 Cb -0.15 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.79 3gq4 s VAL 261 CO 0.00 0.18 0.38 0.00 0.00 0.00 0.00 175.10 175.66 3gq4 n ALA 262 N 3.49 -0.93 -1.18 5.51 0.00 -1.26 -1.41 120.51 124.73 3gq4 n ALA 262 Ca -0.20 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 3gq4 n ALA 262 Cb 0.54 -2.82 -0.03 0.00 0.00 0.00 0.00 19.45 17.15 3gq4 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq4 n GLY 263 N -1.19 0.79 3.24 0.00 0.00 -1.26 -5.00 105.19 101.76 3gq4 n GLY 263 Ca -0.10 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 3gq4 n GLY 263 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gq4 s ARG 264 N -2.09 1.05 0.28 1.61 1.81 -0.50 -5.11 118.95 116.02 3gq4 s ARG 264 Ca 0.00 -1.04 -0.30 0.00 -1.72 0.00 0.00 55.73 52.67 3gq4 s ARG 264 Cb 0.00 -1.21 -0.11 0.00 -0.45 0.00 0.00 34.95 33.18 3gq4 s ARG 264 CO 0.00 0.28 1.58 0.20 -0.68 0.00 0.00 175.30 176.69 3gq4 s GLY 265 N -1.71 2.11 -0.04 -3.53 0.00 -1.26 -1.63 107.32 101.26 3gq4 s GLY 265 Ca 0.04 1.55 -0.01 0.00 0.00 0.00 0.00 44.72 46.30 3gq4 s GLY 265 CO 0.03 2.53 0.03 -1.59 0.00 0.00 0.00 173.10 174.11 3gq4 s THR 266 N 0.04 0.02 -0.08 0.90 2.01 0.28 -4.88 115.64 113.93 3gq4 s THR 266 Ca 0.63 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.94 3gq4 s THR 266 Cb -0.47 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3gq4 s THR 266 CO 0.47 0.16 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.38 3gq4 s HIS 267 N 1.66 2.63 0.13 4.92 3.76 -1.26 -0.80 115.29 126.33 3gq4 s HIS 267 Ca -0.01 -0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 54.10 3gq4 s HIS 267 Cb -0.13 -1.70 0.06 0.00 1.11 0.00 0.00 32.58 31.93 3gq4 s HIS 267 CO -0.03 -0.14 0.53 1.52 -0.85 0.00 0.00 174.74 175.78 3gq4 s TYR 268 N -0.09 -0.43 -0.27 1.40 -0.85 -0.68 -4.78 117.35 111.65 3gq4 s TYR 268 Ca -0.04 0.25 -0.11 0.00 -0.52 0.00 0.00 57.07 56.65 3gq4 s TYR 268 Cb -0.14 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 3gq4 s TYR 268 CO 0.04 -0.77 0.21 0.00 -1.52 0.00 0.00 175.55 173.51 3gq4 n PRO 270 N 4.87 0.10 -0.11 0.00 -0.04 -1.26 -1.82 135.00 136.74 3gq4 n PRO 270 Ca -0.14 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 3gq4 n PRO 270 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 3gq4 n PRO 270 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3gq4 n ARG 271 N -1.43 0.59 0.19 0.54 0.63 -1.26 -4.53 116.66 111.39 3gq4 n ARG 271 Ca 0.07 0.44 0.05 0.00 -0.92 0.00 0.00 57.85 57.49 3gq4 n ARG 271 Cb 0.22 -1.66 0.33 0.00 0.45 0.00 0.00 32.46 31.80 3gq4 n ARG 271 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gq4 s GLN 273 N -3.64 3.22 0.00 0.00 -0.21 -0.76 -4.48 119.66 113.79 3gq4 s GLN 273 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3gq4 s GLN 273 Cb 0.11 -2.86 0.00 0.00 1.00 0.00 0.00 33.01 31.27 3gq4 s GLN 273 CO 0.69 0.57 0.16 0.54 -2.12 0.00 0.00 175.29 175.13