#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gq5 s GLU 3 N 0.00 1.27 0.20 0.54 0.41 -1.26 -4.75 118.70 115.10 3gq5 s GLU 3 Ca 0.00 0.13 -0.13 0.00 -0.41 0.00 0.00 54.97 54.56 3gq5 s GLU 3 Cb 0.00 -1.87 0.22 0.00 -1.78 0.00 0.00 34.13 30.70 3gq5 s GLU 3 CO 0.00 -2.08 1.67 1.25 -0.49 0.00 0.00 175.26 175.61 3gq5 h LEU 4 N -1.41 -0.31 -1.16 1.80 6.46 -1.89 -0.60 115.31 118.20 3gq5 h LEU 4 Ca -0.48 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 3gq5 h LEU 4 Cb 1.32 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 41.46 3gq5 h LEU 4 CO 0.59 -0.11 0.57 -0.65 -0.62 0.00 0.00 178.44 178.22 3gq5 h PRO 5 N 0.08 1.11 -0.21 5.25 0.11 -1.90 0.77 132.00 137.21 3gq5 h PRO 5 Ca 0.27 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.17 3gq5 h PRO 5 Cb 0.43 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3gq5 h PRO 5 CO -0.48 0.74 -0.47 1.49 -0.21 0.00 0.00 178.00 179.07 3gq5 h GLU 6 N 1.15 0.55 -0.74 1.05 4.81 -1.55 -1.61 114.58 118.23 3gq5 h GLU 6 Ca 0.32 -0.30 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3gq5 h GLU 6 Cb -0.11 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3gq5 h GLU 6 CO -0.07 0.90 0.34 0.28 -0.73 0.00 0.00 179.01 179.72 3gq5 h VAL 7 N 0.44 1.24 -0.69 0.32 2.07 -0.54 -0.21 116.25 118.89 3gq5 h VAL 7 Ca 0.03 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3gq5 h VAL 7 Cb 0.98 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3gq5 h VAL 7 CO 0.09 0.30 0.45 -0.08 0.02 0.00 0.00 177.57 178.35 3gq5 h GLU 8 N 1.05 0.89 -0.81 1.57 4.57 -0.65 -0.05 114.58 121.15 3gq5 h GLU 8 Ca 0.25 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3gq5 h GLU 8 Cb 0.15 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3gq5 h GLU 8 CO -0.03 0.59 0.50 1.15 -1.18 0.00 0.00 179.01 180.04 3gq5 h THR 9 N 0.92 1.22 -0.21 0.32 2.02 -0.80 -1.68 112.91 114.71 3gq5 h THR 9 Ca 0.26 -0.47 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3gq5 h THR 9 Cb -0.09 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3gq5 h THR 9 CO -0.06 0.23 0.13 0.40 0.37 0.00 0.00 175.52 176.58 3gq5 h ILE 10 N 1.11 1.03 -0.18 3.11 2.04 -0.65 -0.31 117.51 123.66 3gq5 h ILE 10 Ca 0.29 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.11 3gq5 h ILE 10 Cb -0.06 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3gq5 h ILE 10 CO -0.06 0.05 -0.13 -0.09 0.00 0.00 0.00 178.15 177.93 3gq5 h ARG 11 N 0.26 -0.12 -0.66 2.37 2.43 -0.79 0.26 114.38 118.12 3gq5 h ARG 11 Ca 0.08 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3gq5 h ARG 11 Cb -0.01 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3gq5 h ARG 11 CO -0.03 -0.08 0.20 -0.09 -1.51 0.00 0.00 179.97 178.45 3gq5 h ARG 12 N -0.13 1.04 -0.00 0.20 2.43 -1.15 -2.58 114.38 114.18 3gq5 h ARG 12 Ca 0.11 -0.23 -0.26 0.00 -0.81 0.00 0.00 59.98 58.79 3gq5 h ARG 12 Cb 0.29 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3gq5 h ARG 12 CO -0.26 0.91 -1.02 1.15 -1.51 0.00 0.00 179.97 179.24 3gq5 h THR 13 N 0.97 1.28 -0.06 0.20 2.02 -0.78 -3.35 112.91 113.19 3gq5 h THR 13 Ca 0.21 -2.23 -0.22 0.00 0.77 0.00 0.00 66.41 64.94 3gq5 h THR 13 Cb 0.31 2.38 0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3gq5 h THR 13 CO -0.00 0.69 -0.86 0.25 0.37 0.00 0.00 175.52 175.97 3gq5 h LEU 14 N 0.38 0.70 -0.47 2.58 5.85 -0.49 -3.36 115.31 120.49 3gq5 h LEU 14 Ca -0.13 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.17 3gq5 h LEU 14 Cb 1.67 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.40 3gq5 h LEU 14 CO 0.20 1.29 -0.40 0.25 -0.34 0.00 0.00 178.44 179.44 3gq5 h LEU 15 N 0.36 -1.35 -2.41 2.25 5.85 -1.60 -1.10 115.31 117.32 3gq5 h LEU 15 Ca -0.07 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gq5 h LEU 15 Cb 1.48 0.61 0.00 0.00 0.37 0.00 0.00 40.66 43.12 3gq5 h LEU 15 CO 0.16 -0.34 0.00 1.55 -0.34 0.00 0.00 178.44 179.47 3gq5 h PRO 16 N -0.27 0.00 0.00 5.25 0.13 -1.78 0.63 132.00 135.96 3gq5 h PRO 16 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gq5 h PRO 16 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3gq5 h PRO 16 CO -0.61 0.00 -0.11 -0.07 -0.23 0.00 0.00 178.00 176.98 3gq5 h LEU 17 N 0.00 0.00 0.00 1.56 3.38 -1.39 -3.36 115.31 115.50 3gq5 h LEU 17 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gq5 h LEU 17 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gq5 h LEU 17 CO 0.00 0.01 -0.35 2.30 0.09 0.00 0.00 178.44 180.49 3gq5 n ILE 18 N -2.44 0.00 -1.97 1.22 -5.35 -0.72 -5.01 119.36 105.09 3gq5 n ILE 18 Ca 0.05 -0.18 -0.41 0.00 -0.27 0.00 0.00 62.75 61.94 3gq5 n ILE 18 Cb 0.46 0.68 -0.01 0.00 -1.74 0.00 0.00 39.64 39.02 3gq5 n ILE 18 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3gq5 s VAL 19 N -1.06 2.41 0.00 7.28 0.11 0.13 -2.05 120.40 127.23 3gq5 s VAL 19 Ca 0.00 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.46 3gq5 s VAL 19 Cb 0.00 -3.26 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 3gq5 s VAL 19 CO 0.00 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.47 3gq5 n GLY 20 N 0.64 1.67 3.84 6.54 0.00 0.56 -4.99 105.19 113.45 3gq5 n GLY 20 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3gq5 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq5 s LYS 21 N -0.06 4.05 -0.14 1.61 1.02 -0.87 -4.80 119.74 120.55 3gq5 s LYS 21 Ca 0.00 0.67 -0.03 0.00 0.02 0.00 0.00 55.97 56.63 3gq5 s LYS 21 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3gq5 s LYS 21 CO 0.00 0.25 -0.04 0.99 -0.92 0.00 0.00 175.35 175.63 3gq5 s THR 22 N -1.82 3.93 -0.05 2.17 2.01 -1.26 -1.16 115.64 119.46 3gq5 s THR 22 Ca 0.50 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 3gq5 s THR 22 Cb -0.12 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3gq5 s THR 22 CO 0.19 0.51 1.21 -0.63 -0.69 0.00 0.00 174.62 175.22 3gq5 s ILE 23 N 0.13 4.21 -0.14 1.82 1.01 0.11 -0.91 121.20 127.44 3gq5 s ILE 23 Ca -0.01 1.54 0.14 0.00 0.00 0.00 0.00 60.65 62.32 3gq5 s ILE 23 Cb -0.14 -3.99 -0.20 0.00 0.01 0.00 0.00 42.46 38.14 3gq5 s ILE 23 CO 0.03 0.00 0.09 1.21 0.00 0.00 0.00 174.94 176.27 3gq5 n GLU 24 N 5.17 1.33 -3.59 2.79 2.13 0.17 -0.20 120.64 128.44 3gq5 n GLU 24 Ca 0.11 -0.03 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 3gq5 n GLU 24 Cb 0.46 -1.40 -0.05 0.00 0.27 0.00 0.00 31.44 30.72 3gq5 n GLU 24 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3gq5 s ASP 25 N -4.80 -0.39 -0.10 4.31 3.68 -1.03 -4.83 116.67 113.52 3gq5 s ASP 25 Ca -0.08 0.08 -0.00 0.00 2.13 0.00 0.00 52.55 54.68 3gq5 s ASP 25 Cb 0.05 0.48 0.02 0.00 -1.45 0.00 0.00 42.92 42.03 3gq5 s ASP 25 CO 0.65 -0.73 -0.07 -0.69 0.13 0.00 0.00 175.17 174.45 3gq5 s VAL 26 N -2.65 0.92 -0.13 1.11 1.01 -1.26 -0.50 120.40 118.91 3gq5 s VAL 26 Ca -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3gq5 s VAL 26 Cb -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3gq5 s VAL 26 CO -0.03 0.34 -0.10 -0.13 0.00 0.00 0.00 175.10 175.18 3gq5 s ARG 27 N 1.54 3.39 -0.16 2.72 0.52 0.33 -4.88 118.95 122.39 3gq5 s ARG 27 Ca 0.01 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 3gq5 s ARG 27 Cb -0.13 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.67 3gq5 s ARG 27 CO -0.06 0.27 -0.16 0.42 0.02 0.00 0.00 175.30 175.79 3gq5 s ILE 28 N 0.23 1.77 -0.62 1.52 1.01 -1.26 -1.18 121.20 122.66 3gq5 s ILE 28 Ca -0.07 -0.79 0.18 0.00 0.00 0.00 0.00 60.65 59.98 3gq5 s ILE 28 Cb -0.15 -1.65 -0.23 0.00 0.01 0.00 0.00 42.46 40.45 3gq5 s ILE 28 CO 0.04 0.47 0.67 0.49 0.00 0.00 0.00 174.94 176.61 3gq5 n PHE 29 N 4.70 0.00 -3.48 3.97 3.72 0.13 -4.75 117.46 121.75 3gq5 n PHE 29 Ca -0.18 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.93 3gq5 n PHE 29 Cb 0.50 -0.13 -0.13 0.00 -0.94 0.00 0.00 39.48 38.79 3gq5 n PHE 29 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3gq5 s TRP 30 N -2.90 0.57 0.50 1.38 -0.11 -1.18 -5.02 118.94 112.18 3gq5 s TRP 30 Ca 0.03 -1.39 0.32 0.00 1.22 0.00 0.00 56.10 56.28 3gq5 s TRP 30 Cb 0.13 -0.88 1.74 0.00 -1.50 0.00 0.00 33.47 32.96 3gq5 s TRP 30 CO 0.76 -0.83 2.18 -1.00 -4.62 0.00 0.00 176.95 173.44 3gq5 h PRO 31 N 7.39 0.00 0.00 5.86 0.13 -1.89 -2.69 132.00 140.80 3gq5 h PRO 31 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3gq5 h PRO 31 Cb 0.98 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3gq5 h PRO 31 CO 0.31 0.05 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.22 3gq5 h ASN 32 N 0.00 0.00 -0.77 1.44 2.35 -1.97 -0.92 115.58 115.70 3gq5 h ASN 32 Ca -0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3gq5 h ASN 32 Cb 0.18 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3gq5 h ASN 32 CO 0.01 0.00 0.51 0.40 -1.65 0.00 0.00 177.43 176.70 3gq5 h ILE 33 N 0.00 1.17 -3.17 2.81 1.08 -1.74 -3.41 117.51 114.25 3gq5 h ILE 33 Ca -0.00 -0.35 -0.57 0.00 -0.39 0.00 0.00 64.86 63.55 3gq5 h ILE 33 Cb 0.00 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 33.76 3gq5 h ILE 33 CO 0.00 0.19 0.85 -0.63 -0.69 0.00 0.00 178.15 177.87 3gq5 s ILE 34 N -5.85 4.50 -0.08 -0.67 1.09 -0.35 -0.90 121.20 118.92 3gq5 s ILE 34 Ca -0.11 1.76 0.15 0.00 -1.10 0.00 0.00 60.65 61.35 3gq5 s ILE 34 Cb 0.18 -4.30 -0.22 0.00 -1.06 0.00 0.00 42.46 37.06 3gq5 s ILE 34 CO 0.78 -0.34 0.21 0.54 -0.10 0.00 0.00 174.94 176.03 3gq5 n ARG 35 N 6.71 1.01 -3.69 2.79 5.12 0.24 -4.87 116.66 123.97 3gq5 n ARG 35 Ca 0.13 -0.08 -0.11 0.00 -1.93 0.00 0.00 57.85 55.86 3gq5 n ARG 35 Cb 0.46 -1.38 -0.09 0.00 -1.16 0.00 0.00 32.46 30.29 3gq5 n ARG 35 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3gq5 s HIS 36 N -2.75 -0.68 0.81 -1.55 2.46 -1.21 -4.24 115.29 108.13 3gq5 s HIS 36 Ca -0.07 1.47 -0.14 0.00 0.47 0.00 0.00 55.06 56.79 3gq5 s HIS 36 Cb 0.07 0.31 0.02 0.00 -0.13 0.00 0.00 32.58 32.85 3gq5 s HIS 36 CO 0.64 -0.35 0.72 -2.30 -2.47 0.00 0.00 174.74 170.97 3gq5 n PRO 37 N 3.77 0.13 0.05 2.88 -0.02 -1.26 -0.19 135.00 140.37 3gq5 n PRO 37 Ca -0.19 0.10 0.04 0.00 -2.02 0.00 0.00 63.50 61.42 3gq5 n PRO 37 Cb 0.56 -2.04 0.44 0.00 -0.02 0.00 0.00 33.50 32.44 3gq5 n PRO 37 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3gq5 h ARG 38 N -0.83 0.42 -5.61 -0.52 -0.00 -1.90 -3.40 114.38 102.55 3gq5 h ARG 38 Ca -0.45 -0.04 -0.61 0.00 -0.00 0.00 0.00 59.98 58.88 3gq5 h ARG 38 Cb 1.32 -0.09 -0.11 0.00 -0.00 0.00 0.00 29.97 31.09 3gq5 h ARG 38 CO 0.42 0.33 0.27 0.34 -0.00 0.00 0.00 179.97 181.32 3gq5 s ASP 39 N -6.77 6.64 0.50 0.08 3.68 -1.26 -4.91 116.67 114.63 3gq5 s ASP 39 Ca -0.07 0.76 0.24 0.00 2.13 0.00 0.00 52.55 55.60 3gq5 s ASP 39 Cb 0.17 -2.37 1.31 0.00 -1.45 0.00 0.00 42.92 40.58 3gq5 s ASP 39 CO 0.73 -0.45 2.04 0.77 0.13 0.00 0.00 175.17 178.39 3gq5 h SER 40 N 7.89 0.00 -0.34 -0.34 4.64 -1.88 -1.60 113.55 121.93 3gq5 h SER 40 Ca -0.25 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3gq5 h SER 40 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3gq5 h SER 40 CO 0.81 0.15 0.02 -0.33 -0.87 0.00 0.00 176.83 176.62 3gq5 h GLU 41 N 0.00 0.68 -0.28 4.77 5.08 -1.94 -1.59 114.58 121.30 3gq5 h GLU 41 Ca -0.00 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 3gq5 h GLU 41 Cb 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3gq5 h GLU 41 CO 0.02 0.68 -0.50 0.00 -1.00 0.00 0.00 179.01 178.20 3gq5 h ALA 42 N 1.39 0.44 -0.18 3.43 0.00 -1.68 -1.73 119.26 120.93 3gq5 h ALA 42 Ca 0.13 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3gq5 h ALA 42 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3gq5 h ALA 42 CO 0.01 0.62 -0.16 0.35 0.00 0.00 0.00 179.25 180.07 3gq5 h PHE 43 N 0.60 -0.40 -0.24 0.00 3.57 -1.28 -1.53 116.94 117.67 3gq5 h PHE 43 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3gq5 h PHE 43 Cb 1.11 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 3gq5 h PHE 43 CO 0.08 -0.23 -0.05 0.00 -2.23 0.00 0.00 178.31 175.87 3gq5 h ALA 44 N 0.92 0.33 -0.96 2.41 0.00 -1.26 -3.17 119.26 117.52 3gq5 h ALA 44 Ca 0.11 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3gq5 h ALA 44 Cb 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3gq5 h ALA 44 CO -0.28 0.12 0.62 0.00 0.00 0.00 0.00 179.25 179.71 3gq5 h ALA 45 N 0.76 1.31 0.00 0.00 0.00 -1.17 -2.86 119.26 117.30 3gq5 h ALA 45 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3gq5 h ALA 45 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gq5 h ALA 45 CO 0.02 0.46 -0.56 0.07 0.00 0.00 0.00 179.25 179.24 3gq5 h ARG 46 N 1.17 0.00 0.00 0.00 0.11 -1.25 -3.11 114.38 111.30 3gq5 h ARG 46 Ca 0.40 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.42 3gq5 h ARG 46 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 3gq5 h ARG 46 CO -0.15 0.56 -0.32 0.52 0.10 0.00 0.00 179.97 180.68 3gq5 h MET 47 N 0.00 0.00 -6.56 0.08 2.86 -1.49 -3.45 114.93 106.37 3gq5 h MET 47 Ca -0.01 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 3gq5 h MET 47 Cb 1.10 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.81 3gq5 h MET 47 CO 0.07 0.31 0.89 -0.89 1.06 0.00 0.00 176.91 178.35 3gq5 n ILE 48 N -3.17 0.01 0.00 -1.22 5.41 -1.18 -2.09 119.36 117.13 3gq5 n ILE 48 Ca 0.03 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3gq5 n ILE 48 Cb 0.66 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 3gq5 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gq5 n GLY 49 N 3.66 1.56 3.83 7.39 0.00 0.71 -5.01 105.19 117.33 3gq5 n GLY 49 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gq5 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gq5 s GLN 50 N -0.54 4.15 -0.10 1.61 -0.21 -0.89 -4.77 119.66 118.91 3gq5 s GLN 50 Ca 0.00 0.87 -0.04 0.00 0.02 0.00 0.00 55.36 56.21 3gq5 s GLN 50 Cb 0.00 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3gq5 s GLN 50 CO 0.00 0.17 0.05 0.99 -2.12 0.00 0.00 175.29 174.39 3gq5 s THR 51 N -1.90 4.76 -0.10 -0.19 2.01 -1.26 -0.71 115.64 118.25 3gq5 s THR 51 Ca 0.53 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 3gq5 s THR 51 Cb -0.12 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3gq5 s THR 51 CO 0.18 0.60 1.28 -0.69 -0.69 0.00 0.00 174.62 175.30 3gq5 s VAL 52 N -0.84 4.15 -0.08 3.82 1.01 -0.31 -2.62 120.40 125.54 3gq5 s VAL 52 Ca 0.13 1.44 0.10 0.00 0.00 0.00 0.00 61.98 63.65 3gq5 s VAL 52 Cb -0.12 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.19 3gq5 s VAL 52 CO 0.03 -0.07 0.09 0.54 0.00 0.00 0.00 175.10 175.69 3gq5 n ARG 53 N 5.97 1.76 -3.82 2.72 5.12 0.92 -0.33 116.66 129.01 3gq5 n ARG 53 Ca 0.13 -0.03 -0.06 0.00 -1.93 0.00 0.00 57.85 55.96 3gq5 n ARG 53 Cb 0.45 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.47 3gq5 n ARG 53 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gq5 s GLY 54 N -4.08 -0.00 -0.19 -0.13 0.00 -0.76 -4.87 107.32 97.28 3gq5 s GLY 54 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.31 3gq5 s GLY 54 CO 0.45 0.15 0.37 -2.27 0.00 0.00 0.00 173.10 171.81 3gq5 s LEU 55 N -3.01 -0.56 0.37 0.66 2.96 -1.26 -1.09 118.68 116.75 3gq5 s LEU 55 Ca 0.14 0.71 0.08 0.00 -0.22 0.00 0.00 54.13 54.84 3gq5 s LEU 55 Cb -0.04 1.14 -0.07 0.00 0.50 0.00 0.00 46.19 47.71 3gq5 s LEU 55 CO 0.07 -0.25 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.19 3gq5 s GLU 56 N 2.55 1.86 -0.05 1.98 2.02 -0.32 -4.94 118.70 121.80 3gq5 s GLU 56 Ca 0.02 -2.00 0.03 0.00 0.02 0.00 0.00 54.97 53.04 3gq5 s GLU 56 Cb -0.13 -1.64 0.01 0.00 0.10 0.00 0.00 34.13 32.46 3gq5 s GLU 56 CO -0.12 0.05 -0.12 0.50 0.02 0.00 0.00 175.26 175.59 3gq5 s ARG 57 N -3.66 1.48 -0.17 1.61 3.52 -1.26 -0.09 118.95 120.38 3gq5 s ARG 57 Ca 0.33 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 3gq5 s ARG 57 Cb 0.06 -1.28 0.03 0.00 -1.56 0.00 0.00 34.95 32.20 3gq5 s ARG 57 CO 0.17 0.09 -0.14 1.03 -0.81 0.00 0.00 175.30 175.64 3gq5 s ARG 58 N 0.42 2.33 7.51 5.12 1.81 -0.34 -4.98 118.95 130.82 3gq5 s ARG 58 Ca -0.09 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 3gq5 s ARG 58 Cb -0.13 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.09 3gq5 s ARG 58 CO 0.02 -0.29 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 3gq5 n GLY 59 N 4.72 3.82 1.19 -3.53 0.00 -1.26 0.01 105.19 110.14 3gq5 n GLY 59 Ca -0.17 0.01 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3gq5 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gq5 n LYS 60 N 14.00 2.52 -3.10 1.61 5.02 -1.26 -4.83 118.16 132.11 3gq5 n LYS 60 Ca 0.00 -2.33 -0.39 0.00 -2.02 0.00 0.00 58.31 53.57 3gq5 n LYS 60 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 3gq5 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3gq5 s PHE 61 N -1.28 3.85 -0.09 2.13 0.40 0.10 -4.60 117.98 118.49 3gq5 s PHE 61 Ca 0.43 1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 58.11 3gq5 s PHE 61 Cb 0.23 -2.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 3gq5 s PHE 61 CO 0.31 0.53 0.27 -0.51 0.70 0.00 0.00 175.22 176.52 3gq5 s LEU 62 N -1.04 4.38 -0.34 -0.37 1.43 -0.36 -1.20 118.68 121.19 3gq5 s LEU 62 Ca 0.33 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3gq5 s LEU 62 Cb -0.21 -2.32 0.09 0.00 0.03 0.00 0.00 46.19 43.77 3gq5 s LEU 62 CO 0.23 0.30 0.05 -0.75 0.23 0.00 0.00 176.35 176.41 3gq5 s LYS 63 N -0.62 1.92 -0.17 1.70 2.20 0.87 -0.39 119.74 125.25 3gq5 s LYS 63 Ca 0.18 -1.66 -0.27 0.00 -0.36 0.00 0.00 55.97 53.86 3gq5 s LYS 63 Cb -0.14 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3gq5 s LYS 63 CO 0.07 -0.85 0.93 -0.06 -0.36 0.00 0.00 175.35 175.08 3gq5 s PHE 64 N 1.06 3.43 -0.28 4.03 0.08 0.88 -1.17 117.98 126.01 3gq5 s PHE 64 Ca 0.04 1.40 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 3gq5 s PHE 64 Cb -0.20 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 3gq5 s PHE 64 CO -0.05 -0.30 0.24 -0.51 -0.10 0.00 0.00 175.22 174.51 3gq5 s LEU 65 N 2.37 4.03 0.00 -0.37 1.43 -0.25 -0.67 118.68 125.22 3gq5 s LEU 65 Ca 0.43 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3gq5 s LEU 65 Cb -0.17 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3gq5 s LEU 65 CO 0.12 -0.09 0.00 0.18 0.23 0.00 0.00 176.35 176.80 3gq5 n LEU 66 N 5.14 0.00 0.07 1.79 4.77 0.05 -0.05 117.00 128.77 3gq5 n LEU 66 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 3gq5 n LEU 66 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3gq5 n LEU 66 CO 0.34 0.00 0.50 0.44 -1.33 0.00 0.00 177.39 177.34 3gq5 h ASP 67 N 0.00 -0.19 0.00 -1.43 3.32 -1.85 -3.40 116.42 112.87 3gq5 h ASP 67 Ca 0.00 -0.34 -0.21 0.00 0.02 0.00 0.00 57.03 56.50 3gq5 h ASP 67 Cb 0.00 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3gq5 h ASP 67 CO 0.00 0.30 -1.79 -1.14 -1.72 0.00 0.00 179.24 174.89 3gq5 n ARG 68 N -4.97 0.93 -4.04 3.56 0.63 -1.26 -5.01 116.66 106.51 3gq5 n ARG 68 Ca -0.08 0.05 -0.22 0.00 -0.92 0.00 0.00 57.85 56.68 3gq5 n ARG 68 Cb 0.26 -1.28 -0.05 0.00 0.45 0.00 0.00 32.46 31.84 3gq5 n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3gq5 s ASP 69 N -5.05 5.29 -0.08 6.15 -0.00 -1.26 -1.22 116.67 120.49 3gq5 s ASP 69 Ca -0.15 -0.41 0.04 0.00 -0.00 0.00 0.00 52.55 52.04 3gq5 s ASP 69 Cb 0.04 -1.16 -0.01 0.00 -0.00 0.00 0.00 42.92 41.79 3gq5 s ASP 69 CO 0.37 -0.15 -0.20 0.00 -0.00 0.00 0.00 175.17 175.19 3gq5 s ALA 70 N -2.23 2.36 -0.27 5.23 0.00 0.30 -0.77 121.76 126.38 3gq5 s ALA 70 Ca 0.35 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 3gq5 s ALA 70 Cb -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3gq5 s ALA 70 CO 0.25 0.38 0.16 -1.17 0.00 0.00 0.00 175.76 175.37 3gq5 s LEU 71 N -0.06 3.86 -0.24 0.00 2.96 0.16 -2.18 118.68 123.18 3gq5 s LEU 71 Ca -0.05 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3gq5 s LEU 71 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3gq5 s LEU 71 CO 0.04 -0.04 0.10 -0.63 -1.32 0.00 0.00 176.35 174.51 3gq5 s ILE 72 N 1.69 4.70 -0.04 6.68 -1.09 0.76 -0.08 121.20 133.82 3gq5 s ILE 72 Ca 0.07 -0.04 0.05 0.00 -2.23 0.00 0.00 60.65 58.49 3gq5 s ILE 72 Cb -0.16 -3.20 -0.00 0.00 -1.58 0.00 0.00 42.46 37.52 3gq5 s ILE 72 CO 0.09 0.34 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.40 3gq5 s SER 73 N 1.39 2.28 -0.10 3.58 0.15 0.48 -0.83 113.70 120.66 3gq5 s SER 73 Ca 0.06 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.36 3gq5 s SER 73 Cb -0.15 -0.62 0.01 0.00 -1.71 0.00 0.00 66.02 63.55 3gq5 s SER 73 CO 0.05 0.17 -0.17 -2.28 1.20 0.00 0.00 173.24 172.21 3gq5 s HIS 74 N -0.00 2.05 -1.04 3.44 2.46 -0.51 -1.22 115.29 120.46 3gq5 s HIS 74 Ca -0.03 -0.91 0.25 0.00 0.47 0.00 0.00 55.06 54.84 3gq5 s HIS 74 Cb -0.12 -1.44 0.52 0.00 -0.13 0.00 0.00 32.58 31.40 3gq5 s HIS 74 CO 0.02 -0.44 1.42 1.28 -2.47 0.00 0.00 174.74 174.56 3gq5 n LEU 75 N 3.97 0.53 0.00 8.88 4.77 -1.26 -1.79 117.00 132.09 3gq5 n LEU 75 Ca -0.20 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3gq5 n LEU 75 Cb 0.52 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3gq5 n LEU 75 CO 0.25 0.13 0.00 0.54 -1.33 0.00 0.00 177.39 176.98 3gq5 n ARG 76 N -1.46 0.00 0.04 3.23 5.12 -1.26 -0.65 116.66 121.68 3gq5 n ARG 76 Ca 0.06 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.99 3gq5 n ARG 76 Cb 0.34 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.57 3gq5 n ARG 76 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 3gq5 h MET 77 N 0.00 0.00 0.00 5.56 2.86 -1.96 -1.79 114.93 119.60 3gq5 h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gq5 h MET 77 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3gq5 h MET 77 CO 0.00 0.27 0.00 0.39 1.06 0.00 0.00 176.91 178.63 3gq5 n GLU 78 N -2.89 -0.10 -2.01 1.72 1.02 -1.21 -3.24 120.64 113.93 3gq5 n GLU 78 Ca -0.08 -0.41 -0.37 0.00 -0.02 0.00 0.00 57.16 56.28 3gq5 n GLU 78 Cb 0.81 -0.91 0.03 0.00 -0.02 0.00 0.00 31.44 31.35 3gq5 n GLU 78 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gq5 s GLY 79 N -0.10 2.80 -0.08 0.62 0.00 0.17 -4.51 107.32 106.21 3gq5 s GLY 79 Ca 0.00 1.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.70 3gq5 s GLY 79 CO 0.00 1.53 0.29 0.50 0.00 0.00 0.00 173.10 175.42 3gq5 s ARG 80 N -3.05 0.43 0.04 2.90 3.00 0.13 -4.78 118.95 117.61 3gq5 s ARG 80 Ca 0.72 0.22 0.04 0.00 0.00 0.00 0.00 55.73 56.71 3gq5 s ARG 80 Cb -0.33 0.20 -0.04 0.00 0.00 0.00 0.00 34.95 34.78 3gq5 s ARG 80 CO 0.38 -0.08 -0.06 0.71 0.00 0.00 0.00 175.30 176.25 3gq5 s TYR 81 N -0.28 2.89 -0.01 -0.53 1.51 -1.26 -1.07 117.35 118.60 3gq5 s TYR 81 Ca -0.04 -0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 55.90 3gq5 s TYR 81 Cb -0.03 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 3gq5 s TYR 81 CO 0.01 0.41 0.14 0.00 -1.11 0.00 0.00 175.55 175.00 3gq5 s ALA 82 N -1.11 -0.32 -0.18 3.71 0.00 -0.60 -4.97 121.76 118.29 3gq5 s ALA 82 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.09 3gq5 s ALA 82 Cb -0.11 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 3gq5 s ALA 82 CO 0.11 -0.18 -0.00 0.08 0.00 0.00 0.00 175.76 175.77 3gq5 s VAL 83 N -1.05 4.09 0.28 0.00 1.01 -1.26 -0.29 120.40 123.19 3gq5 s VAL 83 Ca -0.11 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3gq5 s VAL 83 Cb -0.06 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3gq5 s VAL 83 CO 0.01 0.46 0.64 0.00 0.00 0.00 0.00 175.10 176.21 3gq5 s ALA 84 N 0.63 -0.76 0.25 5.51 0.00 -0.50 -4.95 121.76 121.94 3gq5 s ALA 84 Ca -0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3gq5 s ALA 84 Cb -0.14 0.92 -0.09 0.00 0.00 0.00 0.00 23.12 23.81 3gq5 s ALA 84 CO 0.02 -0.96 1.07 0.45 0.00 0.00 0.00 175.76 176.34 3gq5 s SER 85 N -2.98 7.33 0.38 0.00 0.15 -1.26 -0.41 113.70 116.91 3gq5 s SER 85 Ca 0.16 2.18 0.25 0.00 0.70 0.00 0.00 55.95 59.24 3gq5 s SER 85 Cb -0.04 -2.62 1.35 0.00 -1.71 0.00 0.00 66.02 63.01 3gq5 s SER 85 CO 0.09 -0.11 1.76 0.00 1.20 0.00 0.00 173.24 176.17 3gq5 h ALA 86 N 4.15 1.01 0.00 5.45 0.00 -1.38 -2.79 119.26 125.70 3gq5 h ALA 86 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gq5 h ALA 86 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gq5 h ALA 86 CO 0.68 -0.01 -0.12 1.28 0.00 0.00 0.00 179.25 181.08 3gq5 n LEU 87 N -2.38 0.80 -4.93 0.00 4.77 -1.26 -4.88 117.00 109.12 3gq5 n LEU 87 Ca -0.02 0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 3gq5 n LEU 87 Cb 0.05 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3gq5 n LEU 87 CO 0.11 -0.16 -0.13 -1.61 -1.33 0.00 0.00 177.39 174.27 3gq5 s GLU 88 N -3.11 3.44 0.45 3.23 0.41 -1.05 -5.06 118.70 117.00 3gq5 s GLU 88 Ca 0.10 -0.48 -0.25 0.00 -0.41 0.00 0.00 54.97 53.93 3gq5 s GLU 88 Cb 0.13 -3.02 -0.08 0.00 -1.78 0.00 0.00 34.13 29.38 3gq5 s GLU 88 CO 0.62 0.58 1.33 -2.14 -0.49 0.00 0.00 175.26 175.17 3gq5 s PRO 89 N -2.72 3.72 0.63 0.39 0.02 -1.26 -4.96 135.00 130.82 3gq5 s PRO 89 Ca 0.35 2.21 -0.18 0.00 0.02 0.00 0.00 61.00 63.40 3gq5 s PRO 89 Cb -0.12 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 3gq5 s PRO 89 CO 0.28 -0.71 1.24 -0.51 -0.33 0.00 0.00 177.00 176.97 3gq5 s LEU 90 N -2.76 3.58 0.68 -5.54 1.43 -1.26 -5.03 118.68 109.78 3gq5 s LEU 90 Ca 0.61 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 56.05 3gq5 s LEU 90 Cb -0.39 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.23 3gq5 s LEU 90 CO 0.49 -1.84 1.08 -1.61 0.23 0.00 0.00 176.35 174.71 3gq5 s GLU 91 N -3.44 2.85 0.73 1.70 8.01 -1.26 -5.01 118.70 122.28 3gq5 s GLU 91 Ca 0.79 1.19 -0.15 0.00 0.01 0.00 0.00 54.97 56.81 3gq5 s GLU 91 Cb -0.33 -1.97 0.04 0.00 -4.31 0.00 0.00 34.13 27.56 3gq5 s GLU 91 CO 0.37 -1.19 1.21 -2.14 0.01 0.00 0.00 175.26 173.53 3gq5 s PRO 92 N -4.49 2.11 -1.28 0.39 0.02 -1.26 -3.30 135.00 127.19 3gq5 s PRO 92 Ca 0.63 1.78 -0.00 0.00 0.02 0.00 0.00 61.00 63.42 3gq5 s PRO 92 Cb -0.17 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3gq5 s PRO 92 CO 0.47 -1.86 0.02 0.72 -0.33 0.00 0.00 177.00 176.01 3gq5 n HIS 93 N -2.74 -0.75 -2.90 6.54 8.25 -1.26 -4.77 115.22 117.59 3gq5 n HIS 93 Ca 0.14 0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 3gq5 n HIS 93 Cb 0.50 -3.17 -0.04 0.00 1.12 0.00 0.00 29.99 28.40 3gq5 n HIS 93 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gq5 s THR 94 N -2.76 4.76 -0.10 1.59 2.01 -1.21 -1.07 115.64 118.86 3gq5 s THR 94 Ca 0.01 1.27 0.16 0.00 0.31 0.00 0.00 61.69 63.44 3gq5 s THR 94 Cb -0.00 -4.18 -0.24 0.00 0.01 0.00 0.00 72.50 68.08 3gq5 s THR 94 CO 0.01 -0.28 0.21 1.41 -0.69 0.00 0.00 174.62 175.29 3gq5 n HIS 95 N 6.29 0.00 -3.79 4.92 8.25 0.01 -4.77 115.22 126.13 3gq5 n HIS 95 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3gq5 n HIS 95 Cb 0.48 -0.63 -0.13 0.00 1.12 0.00 0.00 29.99 30.84 3gq5 n HIS 95 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gq5 s VAL 96 N -2.78 -0.01 -0.05 1.59 1.01 -1.18 0.17 120.40 119.14 3gq5 s VAL 96 Ca -0.07 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3gq5 s VAL 96 Cb 0.08 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.20 3gq5 s VAL 96 CO 0.71 0.02 -0.07 -0.69 0.00 0.00 0.00 175.10 175.07 3gq5 s VAL 97 N 0.42 0.72 -0.33 2.92 1.01 -0.33 -0.62 120.40 124.19 3gq5 s VAL 97 Ca -0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 3gq5 s VAL 97 Cb -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3gq5 s VAL 97 CO -0.02 0.27 0.21 -0.36 0.00 0.00 0.00 175.10 175.20 3gq5 s PHE 98 N 0.87 3.21 -0.18 5.22 0.40 -0.01 -0.51 117.98 126.98 3gq5 s PHE 98 Ca -0.12 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 55.77 3gq5 s PHE 98 Cb -0.15 -2.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 3gq5 s PHE 98 CO 0.01 -0.37 0.41 0.00 0.70 0.00 0.00 175.22 175.97 3gq5 s PHE 100 N 1.13 3.47 -0.19 0.00 0.08 -0.08 0.46 117.98 122.87 3gq5 s PHE 100 Ca 0.20 0.14 0.26 0.00 0.12 0.00 0.00 56.93 57.66 3gq5 s PHE 100 Cb -0.15 -1.71 1.25 0.00 -0.57 0.00 0.00 43.02 41.85 3gq5 s PHE 100 CO 0.08 0.35 1.79 1.79 -0.10 0.00 0.00 175.22 179.13 3gq5 h THR 101 N 1.14 0.00 -0.42 0.64 1.35 -1.32 -2.09 112.91 112.21 3gq5 h THR 101 Ca -0.51 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3gq5 h THR 101 Cb 1.22 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3gq5 h THR 101 CO 0.63 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3gq5 n ASP 102 N -2.44 2.36 0.00 5.36 5.75 -1.26 -4.91 116.55 121.41 3gq5 n ASP 102 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3gq5 n ASP 102 Cb 0.15 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3gq5 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gq5 n GLY 103 N 1.22 0.72 3.99 6.12 0.00 -0.79 -5.04 105.19 111.41 3gq5 n GLY 103 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3gq5 n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gq5 s SER 104 N -2.42 5.81 0.02 1.61 1.04 -1.26 -1.06 113.70 117.44 3gq5 s SER 104 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3gq5 s SER 104 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 3gq5 s SER 104 CO 0.00 -0.61 -0.03 -1.61 0.98 0.00 0.00 173.24 171.97 3gq5 s GLU 105 N -4.31 0.26 -0.29 4.02 2.02 0.46 -0.90 118.70 119.95 3gq5 s GLU 105 Ca 0.49 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.90 3gq5 s GLU 105 Cb -0.10 0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 3gq5 s GLU 105 CO 0.33 -0.03 0.18 -1.17 0.02 0.00 0.00 175.26 174.59 3gq5 s LEU 106 N -1.11 4.01 -0.08 1.80 2.96 -0.02 -1.40 118.68 124.84 3gq5 s LEU 106 Ca -0.12 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3gq5 s LEU 106 Cb -0.08 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3gq5 s LEU 106 CO -0.01 -0.09 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.67 3gq5 s ARG 107 N 1.72 2.81 -0.24 1.98 0.52 0.61 -0.83 118.95 125.52 3gq5 s ARG 107 Ca 0.07 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 3gq5 s ARG 107 Cb -0.16 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 3gq5 s ARG 107 CO 0.09 0.49 0.06 -0.47 0.02 0.00 0.00 175.30 175.49 3gq5 s TYR 108 N -0.37 3.08 0.10 -0.53 6.14 0.21 -1.55 117.35 124.44 3gq5 s TYR 108 Ca 0.04 -0.42 0.07 0.00 0.64 0.00 0.00 57.07 57.40 3gq5 s TYR 108 Cb -0.12 -2.22 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 3gq5 s TYR 108 CO 0.02 -0.33 -0.19 -0.98 0.64 0.00 0.00 175.55 174.71 3gq5 s ARG 109 N 1.51 1.07 -0.29 4.97 1.70 -0.23 -0.81 118.95 126.86 3gq5 s ARG 109 Ca 0.06 -1.15 -0.02 0.00 -0.47 0.00 0.00 55.73 54.14 3gq5 s ARG 109 Cb -0.15 -1.23 0.19 0.00 -0.57 0.00 0.00 34.95 33.19 3gq5 s ARG 109 CO 0.03 0.28 0.77 0.34 -1.08 0.00 0.00 175.30 175.64 3gq5 s ASP 110 N -2.00 -1.12 0.41 -2.89 3.68 -0.23 -0.70 116.67 113.82 3gq5 s ASP 110 Ca 0.06 0.26 0.12 0.00 2.13 0.00 0.00 52.55 55.12 3gq5 s ASP 110 Cb -0.09 1.76 0.94 0.00 -1.45 0.00 0.00 42.92 44.09 3gq5 s ASP 110 CO 0.04 -0.21 1.95 0.58 0.13 0.00 0.00 175.17 177.66 3gq5 h VAL 111 N 5.50 0.89 0.00 1.11 2.07 -1.80 -1.81 116.25 122.21 3gq5 h VAL 111 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3gq5 h VAL 111 Cb 1.18 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3gq5 h VAL 111 CO 0.07 0.10 -0.46 -0.09 0.02 0.00 0.00 177.57 177.21 3gq5 h ARG 112 N 0.52 0.00 -5.69 1.57 9.65 -1.95 -3.47 114.38 115.00 3gq5 h ARG 112 Ca 0.33 0.00 -0.43 0.00 -1.10 0.00 0.00 59.98 58.77 3gq5 h ARG 112 Cb 0.57 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 3gq5 h ARG 112 CO -0.11 0.00 -0.67 1.17 2.80 0.00 0.00 179.97 183.17 3gq5 n LYS 113 N -2.18 -4.87 -0.00 0.20 4.81 -0.68 -4.85 118.16 110.58 3gq5 n LYS 113 Ca 0.04 0.63 0.07 0.00 -0.87 0.00 0.00 58.31 58.18 3gq5 n LYS 113 Cb 0.44 -5.47 -0.10 0.00 0.02 0.00 0.00 35.03 29.92 3gq5 n LYS 113 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3gq5 n PHE 114 N -4.45 0.00 -1.18 5.64 7.35 -1.26 -4.94 117.46 118.62 3gq5 n PHE 114 Ca -0.00 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 3gq5 n PHE 114 Cb 0.55 -0.14 0.17 0.00 0.35 0.00 0.00 39.48 40.41 3gq5 n PHE 114 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3gq5 s GLY 115 N -2.96 1.57 0.02 7.13 0.00 -1.26 -4.85 107.32 106.97 3gq5 s GLY 115 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3gq5 s GLY 115 CO 0.63 0.26 -0.05 -0.51 0.00 0.00 0.00 173.10 173.43 3gq5 s THR 116 N -2.97 0.32 -0.03 0.90 -4.23 -0.74 -4.66 115.64 104.22 3gq5 s THR 116 Ca 0.65 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.37 3gq5 s THR 116 Cb -0.18 -0.39 0.01 0.00 1.34 0.00 0.00 72.50 73.27 3gq5 s THR 116 CO 0.57 -0.33 -0.09 -0.04 -0.54 0.00 0.00 174.62 174.20 3gq5 s MET 117 N -1.22 0.99 -0.01 3.99 -1.94 -0.08 -1.43 119.30 119.61 3gq5 s MET 117 Ca -0.10 -0.28 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 3gq5 s MET 117 Cb -0.08 -0.92 -0.01 0.00 2.01 0.00 0.00 34.83 35.83 3gq5 s MET 117 CO -0.00 0.08 -0.13 -1.01 -0.01 0.00 0.00 175.02 173.95 3gq5 s HIS 118 N 0.32 1.12 -0.07 -0.03 3.76 -0.01 -0.59 115.29 119.79 3gq5 s HIS 118 Ca -0.05 -0.22 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 3gq5 s HIS 118 Cb -0.10 -0.72 0.01 0.00 1.11 0.00 0.00 32.58 32.88 3gq5 s HIS 118 CO 0.01 -0.02 -0.17 0.08 -0.85 0.00 0.00 174.74 173.79 3gq5 s VAL 119 N -0.32 1.52 0.10 -0.90 1.01 0.74 -0.17 120.40 122.37 3gq5 s VAL 119 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3gq5 s VAL 119 Cb -0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3gq5 s VAL 119 CO -0.00 0.44 0.04 -0.31 0.00 0.00 0.00 175.10 175.27 3gq5 s TYR 120 N 0.45 0.66 0.23 5.22 2.02 -0.93 -4.15 117.35 120.86 3gq5 s TYR 120 Ca -0.15 -1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 55.15 3gq5 s TYR 120 Cb -0.16 -0.40 -0.15 0.00 -0.40 0.00 0.00 41.96 40.85 3gq5 s TYR 120 CO 0.05 -0.48 1.00 0.00 -1.57 0.00 0.00 175.55 174.56 3gq5 n ALA 121 N -0.02 -0.83 -0.32 3.71 0.00 -1.26 -0.54 120.51 121.25 3gq5 n ALA 121 Ca -0.09 0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.91 3gq5 n ALA 121 Cb 0.63 -1.96 0.33 0.00 0.00 0.00 0.00 19.45 18.44 3gq5 n ALA 121 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gq5 h LYS 122 N 2.36 0.47 0.00 0.00 1.57 -1.41 -0.52 116.57 119.04 3gq5 h LYS 122 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3gq5 h LYS 122 Cb 1.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3gq5 h LYS 122 CO 0.63 0.31 0.00 -0.85 -0.57 0.00 0.00 179.45 178.98 3gq5 n GLU 123 N -4.97 0.21 -0.01 3.15 0.00 -1.26 -2.99 120.64 114.77 3gq5 n GLU 123 Ca 0.23 0.34 0.10 0.00 0.00 0.00 0.00 57.16 57.83 3gq5 n GLU 123 Cb 0.66 -1.84 -0.16 0.00 0.00 0.00 0.00 31.44 30.11 3gq5 n GLU 123 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3gq5 n GLU 124 N -2.22 0.66 -0.20 3.44 2.13 -0.23 -4.64 120.64 119.59 3gq5 n GLU 124 Ca 0.03 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.69 3gq5 n GLU 124 Cb 0.30 -1.54 0.11 0.00 0.27 0.00 0.00 31.44 30.57 3gq5 n GLU 124 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gq5 h ALA 125 N 1.93 0.71 0.00 4.31 0.00 -1.39 -1.80 119.26 123.02 3gq5 h ALA 125 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gq5 h ALA 125 Cb 1.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gq5 h ALA 125 CO 0.00 -0.30 0.00 -0.44 0.00 0.00 0.00 179.25 178.51 3gq5 h ASP 126 N 0.27 0.00 -0.32 0.00 3.45 -1.82 -2.78 116.42 115.21 3gq5 h ASP 126 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 3gq5 h ASP 126 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3gq5 h ASP 126 CO -0.39 0.00 0.00 -2.11 -1.57 0.00 0.00 179.24 175.17 3gq5 n ARG 127 N -2.62 2.96 -4.44 3.56 1.85 -0.69 -3.35 116.66 113.93 3gq5 n ARG 127 Ca 0.01 -2.48 -0.22 0.00 -1.00 0.00 0.00 57.85 54.16 3gq5 n ARG 127 Cb 0.24 -1.58 -0.10 0.00 -1.05 0.00 0.00 32.46 29.97 3gq5 n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3gq5 s ARG 128 N -1.93 1.59 0.53 2.89 1.81 -1.05 -4.79 118.95 118.00 3gq5 s ARG 128 Ca 0.34 -1.77 -0.21 0.00 -1.72 0.00 0.00 55.73 52.36 3gq5 s ARG 128 Cb 0.24 -1.40 -0.05 0.00 -0.45 0.00 0.00 34.95 33.29 3gq5 s ARG 128 CO 0.13 0.15 1.28 -2.14 -0.68 0.00 0.00 175.30 174.04 3gq5 s PRO 129 N -3.64 3.27 0.00 3.54 0.02 -1.26 -1.10 135.00 135.83 3gq5 s PRO 129 Ca 0.29 2.03 0.23 0.00 0.02 0.00 0.00 61.00 63.57 3gq5 s PRO 129 Cb 0.01 -2.23 0.54 0.00 0.02 0.00 0.00 34.50 32.83 3gq5 s PRO 129 CO 0.12 -1.02 1.45 -0.35 -0.33 0.00 0.00 177.00 176.87 3gq5 n PRO 130 N -0.99 2.17 0.07 5.54 -0.04 -1.26 -4.84 135.00 135.65 3gq5 n PRO 130 Ca 0.10 -1.76 -0.00 0.00 -0.04 0.00 0.00 63.50 61.80 3gq5 n PRO 130 Cb 0.47 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 3gq5 n PRO 130 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3gq5 h LEU 131 N 3.60 0.00 -9.36 1.53 3.38 -1.66 -3.44 115.31 109.37 3gq5 h LEU 131 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3gq5 h LEU 131 Cb 0.79 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.59 3gq5 h LEU 131 CO 0.00 0.62 0.64 0.00 0.09 0.00 0.00 178.44 179.79 3gq5 n ALA 132 N -2.33 0.08 -0.27 1.53 0.00 -0.26 -1.62 120.51 117.64 3gq5 n ALA 132 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3gq5 n ALA 132 Cb 0.82 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3gq5 n ALA 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gq5 n GLU 133 N 3.19 0.00 -1.72 0.00 -0.58 -1.26 -4.88 120.64 115.39 3gq5 n GLU 133 Ca 0.18 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.49 3gq5 n GLU 133 Cb 0.23 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 3gq5 n GLU 133 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gq5 n LEU 134 N 0.00 3.89 0.00 -4.62 7.94 -0.64 -4.22 117.00 119.36 3gq5 n LEU 134 Ca 0.00 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.75 3gq5 n LEU 134 Cb 0.00 -1.54 0.22 0.00 0.53 0.00 0.00 43.42 42.63 3gq5 n LEU 134 CO 0.00 -0.03 0.58 0.61 -1.11 0.00 0.00 177.39 177.44 3gq5 n GLY 135 N 2.63 -2.59 3.76 -3.96 0.00 0.67 -4.92 105.19 100.78 3gq5 n GLY 135 Ca 0.11 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 3gq5 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gq5 s PRO 136 N -5.29 2.90 0.20 1.61 0.04 -1.26 -3.95 135.00 129.24 3gq5 s PRO 136 Ca 0.65 1.56 -0.33 0.00 0.04 0.00 0.00 61.00 62.92 3gq5 s PRO 136 Cb -0.06 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3gq5 s PRO 136 CO 0.49 -1.20 1.61 0.39 0.04 0.00 0.00 177.00 178.34 3gq5 n GLU 137 N -2.02 2.40 0.30 4.56 -0.58 -1.26 -1.27 120.64 122.78 3gq5 n GLU 137 Ca 0.12 0.87 0.16 0.00 -0.42 0.00 0.00 57.16 57.88 3gq5 n GLU 137 Cb 0.51 -2.65 0.91 0.00 -0.57 0.00 0.00 31.44 29.64 3gq5 n GLU 137 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3gq5 h PRO 138 N 5.95 0.00 -0.35 3.49 0.13 -1.93 -1.27 132.00 138.02 3gq5 h PRO 138 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3gq5 h PRO 138 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gq5 h PRO 138 CO 0.89 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.98 3gq5 n LEU 139 N -3.59 2.60 -4.91 1.56 4.77 -1.26 -4.77 117.00 111.40 3gq5 n LEU 139 Ca -0.02 -1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 54.51 3gq5 n LEU 139 Cb 0.14 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3gq5 n LEU 139 CO 0.27 0.58 0.18 -0.94 -1.33 0.00 0.00 177.39 176.15 3gq5 s SER 140 N -1.37 6.44 0.62 -1.43 1.04 -0.48 -4.98 113.70 113.54 3gq5 s SER 140 Ca 0.35 0.67 0.40 0.00 0.48 0.00 0.00 55.95 57.85 3gq5 s SER 140 Cb 0.19 -2.13 2.03 0.00 0.10 0.00 0.00 66.02 66.22 3gq5 s SER 140 CO 0.27 -0.18 2.24 -0.65 0.98 0.00 0.00 173.24 175.90 3gq5 h PRO 141 N 1.71 0.00 0.00 4.02 0.11 -1.92 -1.77 132.00 134.15 3gq5 h PRO 141 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gq5 h PRO 141 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gq5 h PRO 141 CO 0.66 0.01 -0.02 0.00 -0.21 0.00 0.00 178.00 178.44 3gq5 h ALA 142 N 1.99 1.86 -2.09 -0.75 0.00 -1.94 -3.35 119.26 114.98 3gq5 h ALA 142 Ca -0.00 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 3gq5 h ALA 142 Cb 0.18 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 3gq5 h ALA 142 CO 0.00 0.02 0.13 0.12 0.00 0.00 0.00 179.25 179.52 3gq5 s PHE 143 N -4.92 3.02 0.19 0.00 5.99 -0.67 -4.88 117.98 116.71 3gq5 s PHE 143 Ca -0.05 -0.32 0.03 0.00 0.00 0.00 0.00 56.93 56.59 3gq5 s PHE 143 Cb 0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 43.02 39.61 3gq5 s PHE 143 CO 0.64 -1.01 -0.03 -1.54 -0.00 0.00 0.00 175.22 173.28 3gq5 s SER 144 N 2.47 1.57 0.26 6.13 1.04 -1.26 -4.81 113.70 119.10 3gq5 s SER 144 Ca 0.19 -1.15 -0.02 0.00 0.48 0.00 0.00 55.95 55.46 3gq5 s SER 144 Cb -0.17 0.05 0.48 0.00 0.10 0.00 0.00 66.02 66.48 3gq5 s SER 144 CO 0.15 -0.49 1.81 -0.65 0.98 0.00 0.00 173.24 175.03 3gq5 h PRO 145 N 2.64 0.79 -0.68 4.02 0.11 -1.94 -1.19 132.00 135.74 3gq5 h PRO 145 Ca -0.37 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3gq5 h PRO 145 Cb 1.21 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 3gq5 h PRO 145 CO 0.64 0.52 0.45 0.00 -0.21 0.00 0.00 178.00 179.40 3gq5 h ALA 146 N 1.51 0.87 -0.55 -0.75 0.00 -1.96 0.35 119.26 118.72 3gq5 h ALA 146 Ca 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3gq5 h ALA 146 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gq5 h ALA 146 CO -0.28 0.28 0.25 0.28 0.00 0.00 0.00 179.25 179.78 3gq5 h VAL 147 N 0.92 1.21 -0.24 0.00 2.07 -1.71 -2.21 116.25 116.29 3gq5 h VAL 147 Ca 0.25 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3gq5 h VAL 147 Cb -0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3gq5 h VAL 147 CO -0.06 0.24 0.08 0.25 0.02 0.00 0.00 177.57 178.11 3gq5 h LEU 148 N 0.75 0.33 -0.57 2.57 5.85 -0.57 -2.93 115.31 120.74 3gq5 h LEU 148 Ca 0.19 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3gq5 h LEU 148 Cb 0.15 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3gq5 h LEU 148 CO -0.02 0.43 0.28 0.00 -0.34 0.00 0.00 178.44 178.79 3gq5 h ALA 149 N 0.92 0.75 -0.51 1.25 0.00 -0.24 -1.21 119.26 120.21 3gq5 h ALA 149 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gq5 h ALA 149 Cb 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gq5 h ALA 149 CO -0.00 -0.09 0.30 1.05 0.00 0.00 0.00 179.25 180.51 3gq5 h GLU 150 N 0.52 0.58 -0.24 0.00 -0.00 -1.37 -1.57 114.58 112.49 3gq5 h GLU 150 Ca 0.27 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.36 59.45 3gq5 h GLU 150 Cb 0.21 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 3gq5 h GLU 150 CO -0.20 0.38 -0.44 0.00 -0.00 0.00 0.00 179.01 178.75 3gq5 h ARG 151 N 0.60 0.60 -0.40 1.06 2.47 -1.29 -3.27 114.38 114.14 3gq5 h ARG 151 Ca 0.21 -0.32 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 3gq5 h ARG 151 Cb 0.04 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 3gq5 h ARG 151 CO -0.10 0.92 -0.05 0.00 0.56 0.00 0.00 179.97 181.30 3gq5 h ALA 152 N 1.03 0.55 -0.66 0.04 0.00 -0.85 -3.18 119.26 116.19 3gq5 h ALA 152 Ca 0.03 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gq5 h ALA 152 Cb 0.96 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3gq5 h ALA 152 CO 0.09 0.37 0.43 0.28 0.00 0.00 0.00 179.25 180.42 3gq5 h VAL 153 N 0.56 1.11 -0.00 0.00 2.07 -1.36 -3.00 116.25 115.63 3gq5 h VAL 153 Ca 0.11 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3gq5 h VAL 153 Cb 0.55 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3gq5 h VAL 153 CO 0.03 0.15 -0.20 0.29 0.02 0.00 0.00 177.57 177.86 3gq5 n LYS 154 N -4.45 0.45 -4.18 1.57 4.01 -1.20 -4.83 118.16 109.52 3gq5 n LYS 154 Ca 0.08 -0.18 -0.26 0.00 -0.51 0.00 0.00 58.31 57.44 3gq5 n LYS 154 Cb 0.11 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.06 3gq5 n LYS 154 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3gq5 s THR 155 N -2.68 3.91 -1.40 -0.18 -1.32 -1.20 -5.02 115.64 107.76 3gq5 s THR 155 Ca 0.22 -1.41 0.26 0.00 -1.21 0.00 0.00 61.69 59.54 3gq5 s THR 155 Cb 0.19 -3.00 0.15 0.00 -1.51 0.00 0.00 72.50 68.33 3gq5 s THR 155 CO 0.54 -0.16 1.50 0.29 -2.21 0.00 0.00 174.62 174.57 3gq5 n LYS 156 N -0.36 0.44 -1.70 7.08 4.01 -1.26 -4.42 118.16 121.95 3gq5 n LYS 156 Ca -0.09 -0.26 -0.30 0.00 -0.51 0.00 0.00 58.31 57.15 3gq5 n LYS 156 Cb 0.56 -1.49 0.06 0.00 -0.51 0.00 0.00 35.03 33.64 3gq5 n LYS 156 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gq5 s ARG 157 N -2.74 2.73 0.79 1.97 0.52 -1.26 -4.80 118.95 116.17 3gq5 s ARG 157 Ca 0.18 0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 55.94 3gq5 s ARG 157 Cb 0.18 -1.99 0.07 0.00 0.52 0.00 0.00 34.95 33.74 3gq5 s ARG 157 CO 0.60 -1.18 1.13 -1.54 0.02 0.00 0.00 175.30 174.34 3gq5 s SER 158 N -4.06 4.06 0.34 0.23 1.04 -1.26 -0.62 113.70 113.42 3gq5 s SER 158 Ca 0.59 2.04 0.03 0.00 0.48 0.00 0.00 55.95 59.09 3gq5 s SER 158 Cb -0.13 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 64.04 3gq5 s SER 158 CO 0.54 -2.34 1.90 1.62 0.98 0.00 0.00 173.24 175.94 3gq5 h VAL 159 N -1.06 1.19 -0.14 5.02 3.04 -0.23 -2.25 116.25 121.82 3gq5 h VAL 159 Ca -0.44 -0.65 0.01 0.00 -1.01 0.00 0.00 66.70 64.60 3gq5 h VAL 159 Cb 1.25 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 3gq5 h VAL 159 CO 0.48 0.24 0.06 0.50 -1.01 0.00 0.00 177.57 177.84 3gq5 h LYS 160 N 0.62 0.13 -0.78 4.17 3.64 -1.71 -1.69 116.57 120.94 3gq5 h LYS 160 Ca 0.14 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3gq5 h LYS 160 Cb 0.22 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3gq5 h LYS 160 CO -0.01 0.09 0.45 0.00 -2.27 0.00 0.00 179.45 177.71 3gq5 h ALA 161 N 1.07 1.09 -0.32 5.00 0.00 -1.78 -1.01 119.26 123.31 3gq5 h ALA 161 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gq5 h ALA 161 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gq5 h ALA 161 CO -0.05 0.11 0.20 1.25 0.00 0.00 0.00 179.25 180.76 3gq5 h LEU 162 N 0.78 0.37 -1.03 0.00 5.85 -1.11 -2.66 115.31 117.50 3gq5 h LEU 162 Ca 0.36 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 3gq5 h LEU 162 Cb 0.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3gq5 h LEU 162 CO -0.22 0.28 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.91 3gq5 h LEU 163 N 0.42 0.00 0.00 2.25 3.38 -0.62 -2.59 115.31 118.14 3gq5 h LEU 163 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gq5 h LEU 163 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gq5 h LEU 163 CO -0.02 0.18 -0.08 0.18 0.09 0.00 0.00 178.44 178.79 3gq5 n LEU 164 N -3.30 0.25 -4.62 1.67 4.77 -0.45 -4.75 117.00 110.56 3gq5 n LEU 164 Ca 0.01 0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 56.00 3gq5 n LEU 164 Cb 0.43 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3gq5 n LEU 164 CO 0.33 -0.03 1.15 -0.62 -1.33 0.00 0.00 177.39 176.89 3gq5 s ASP 165 N -3.36 6.61 0.55 -1.43 3.68 -0.98 -4.91 116.67 116.83 3gq5 s ASP 165 Ca 0.13 1.14 0.37 0.00 2.13 0.00 0.00 52.55 56.31 3gq5 s ASP 165 Cb 0.17 -2.54 1.91 0.00 -1.45 0.00 0.00 42.92 41.01 3gq5 s ASP 165 CO 0.57 -1.14 2.12 0.00 0.13 0.00 0.00 175.17 176.85 3gq5 h THR 167 N 0.00 0.00 0.01 0.00 1.35 -1.91 0.19 112.91 112.55 3gq5 h THR 167 Ca 0.00 -0.53 -0.07 0.00 -0.55 0.00 0.00 66.41 65.26 3gq5 h THR 167 Cb 0.11 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3gq5 h THR 167 CO 0.00 0.00 -0.37 0.58 -0.25 0.00 0.00 175.52 175.48 3gq5 h VAL 168 N 0.00 1.57 -2.30 6.82 2.07 -1.45 -3.33 116.25 119.62 3gq5 h VAL 168 Ca 0.00 -2.33 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 3gq5 h VAL 168 Cb 0.75 3.11 -0.21 0.00 -1.52 0.00 0.00 31.29 33.42 3gq5 h VAL 168 CO 0.00 0.55 0.01 0.54 0.02 0.00 0.00 177.57 178.70 3gq5 s VAL 169 N -2.27 0.01 -0.03 2.57 0.11 -1.22 -4.23 120.40 115.33 3gq5 s VAL 169 Ca -0.21 -0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 58.50 3gq5 s VAL 169 Cb -0.01 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3gq5 s VAL 169 CO 0.68 -0.03 0.88 0.00 -3.33 0.00 0.00 175.10 173.29 3gq5 s ALA 170 N -0.33 3.24 -1.13 1.54 0.00 -0.39 -4.34 121.76 120.35 3gq5 s ALA 170 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3gq5 s ALA 170 Cb -0.03 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3gq5 s ALA 170 CO 0.04 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3gq5 n GLY 171 N 2.99 1.03 3.57 0.00 0.00 -1.26 -4.42 105.19 107.11 3gq5 n GLY 171 Ca 0.03 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3gq5 n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gq5 s PHE 172 N -2.43 3.01 0.11 1.61 0.40 -1.26 -4.40 117.98 115.02 3gq5 s PHE 172 Ca 0.00 0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 3gq5 s PHE 172 Cb 0.00 -3.71 0.02 0.00 0.51 0.00 0.00 43.02 39.84 3gq5 s PHE 172 CO 0.00 -0.93 0.14 0.41 0.70 0.00 0.00 175.22 175.54 3gq5 n GLY 173 N 4.73 2.09 0.27 4.36 0.00 -1.26 -4.66 105.19 110.72 3gq5 n GLY 173 Ca 0.05 -2.16 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 3gq5 n GLY 173 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gq5 h ASN 174 N 0.03 0.59 0.20 1.61 -1.24 -1.97 -1.35 115.58 113.46 3gq5 h ASN 174 Ca -0.05 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 3gq5 h ASN 174 Cb 0.24 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3gq5 h ASN 174 CO 0.08 0.38 -0.10 0.40 -1.29 0.00 0.00 177.43 176.90 3gq5 h ILE 175 N 0.73 0.87 0.00 2.57 2.04 -1.95 -2.21 117.51 119.55 3gq5 h ILE 175 Ca 0.31 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3gq5 h ILE 175 Cb 0.19 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3gq5 h ILE 175 CO -0.18 0.08 -0.52 1.88 0.00 0.00 0.00 178.15 179.40 3gq5 h TYR 176 N -0.43 0.00 0.49 1.37 0.99 -1.93 -1.12 116.97 116.34 3gq5 h TYR 176 Ca -0.03 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 3gq5 h TYR 176 Cb 0.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.06 3gq5 h TYR 176 CO -0.02 0.52 -0.23 0.28 -0.00 0.00 0.00 178.16 178.71 3gq5 h VAL 177 N 0.00 0.52 -0.72 -2.88 2.07 -1.25 0.17 116.25 114.17 3gq5 h VAL 177 Ca -0.01 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3gq5 h VAL 177 Cb 1.04 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 3gq5 h VAL 177 CO 0.07 0.00 0.45 0.44 0.02 0.00 0.00 177.57 178.55 3gq5 h ASP 178 N -0.65 0.73 -0.43 0.57 3.45 -1.19 -1.44 116.42 117.47 3gq5 h ASP 178 Ca -0.07 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.30 3gq5 h ASP 178 Cb 0.50 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3gq5 h ASP 178 CO 0.11 0.50 -0.09 -0.33 -1.57 0.00 0.00 179.24 177.86 3gq5 h GLU 179 N 0.87 0.82 -0.38 3.56 4.39 -1.18 -2.11 114.58 120.55 3gq5 h GLU 179 Ca 0.29 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3gq5 h GLU 179 Cb 0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3gq5 h GLU 179 CO -0.12 0.93 0.08 0.77 -1.16 0.00 0.00 179.01 179.51 3gq5 h SER 180 N 0.64 0.59 -0.82 1.42 0.02 -0.81 -1.50 113.55 113.09 3gq5 h SER 180 Ca 0.11 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3gq5 h SER 180 Cb 0.63 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3gq5 h SER 180 CO 0.04 0.69 0.46 -0.07 -1.14 0.00 0.00 176.83 176.81 3gq5 h LEU 181 N 0.47 1.03 -0.18 5.07 3.38 -1.24 -1.27 115.31 122.56 3gq5 h LEU 181 Ca 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gq5 h LEU 181 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3gq5 h LEU 181 CO 0.00 0.82 0.09 0.15 0.09 0.00 0.00 178.44 179.59 3gq5 h PHE 182 N 1.16 0.26 0.00 1.13 3.57 -1.17 -1.09 116.94 120.80 3gq5 h PHE 182 Ca 0.29 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3gq5 h PHE 182 Cb 0.01 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3gq5 h PHE 182 CO 0.01 0.28 -0.16 0.00 -2.23 0.00 0.00 178.31 176.21 3gq5 h ARG 183 N 0.17 0.00 0.00 1.11 3.08 -0.98 -2.41 114.38 115.34 3gq5 h ARG 183 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3gq5 h ARG 183 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3gq5 h ARG 183 CO -0.01 0.16 -0.54 0.00 -1.07 0.00 0.00 179.97 178.51 3gq5 n ALA 184 N -2.30 3.46 -2.14 0.04 0.00 -0.51 -4.98 120.51 114.08 3gq5 n ALA 184 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 3gq5 n ALA 184 Cb 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3gq5 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq5 n GLY 185 N 1.47 0.30 3.17 0.00 0.00 -0.53 -4.82 105.19 104.78 3gq5 n GLY 185 Ca 0.05 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 3gq5 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gq5 s ILE 186 N -2.28 1.93 0.27 -0.61 1.01 -0.53 -1.14 121.20 119.86 3gq5 s ILE 186 Ca 0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3gq5 s ILE 186 Cb -0.01 -1.70 -0.10 0.00 0.01 0.00 0.00 42.46 40.66 3gq5 s ILE 186 CO 0.01 0.53 1.41 -0.76 0.00 0.00 0.00 174.94 176.14 3gq5 s LEU 187 N 0.63 4.39 0.43 2.97 1.43 0.69 -4.48 118.68 124.75 3gq5 s LEU 187 Ca -0.12 2.69 0.16 0.00 -1.03 0.00 0.00 54.13 55.83 3gq5 s LEU 187 Cb -0.16 -3.63 0.97 0.00 0.03 0.00 0.00 46.19 43.40 3gq5 s LEU 187 CO 0.03 -0.68 1.94 -0.65 0.23 0.00 0.00 176.35 177.22 3gq5 h PRO 188 N 4.62 0.00 -0.00 1.29 0.11 -1.94 -2.76 132.00 133.32 3gq5 h PRO 188 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gq5 h PRO 188 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gq5 h PRO 188 CO 0.75 0.25 -0.09 0.41 -0.21 0.00 0.00 178.00 179.11 3gq5 n GLY 189 N -0.70 -1.26 3.63 -0.55 0.00 -1.26 -2.26 105.19 102.79 3gq5 n GLY 189 Ca -0.02 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.35 3gq5 n GLY 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq5 n ARG 190 N -1.29 1.65 -1.90 1.61 5.12 -1.04 -4.73 116.66 116.08 3gq5 n ARG 190 Ca 0.11 0.59 -0.41 0.00 -1.93 0.00 0.00 57.85 56.20 3gq5 n ARG 190 Cb 0.29 -2.15 -0.01 0.00 -1.16 0.00 0.00 32.46 29.43 3gq5 n ARG 190 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3gq5 s PRO 191 N -0.56 4.19 0.41 5.56 0.02 -1.26 0.28 135.00 143.64 3gq5 s PRO 191 Ca 0.69 2.45 0.12 0.00 0.02 0.00 0.00 61.00 64.28 3gq5 s PRO 191 Cb -0.73 -3.02 0.96 0.00 0.02 0.00 0.00 34.50 31.72 3gq5 s PRO 191 CO 0.52 -0.46 1.95 0.00 -0.33 0.00 0.00 177.00 178.68 3gq5 h ALA 192 N 3.80 1.96 0.00 -1.55 0.00 -1.06 -1.23 119.26 121.18 3gq5 h ALA 192 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gq5 h ALA 192 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gq5 h ALA 192 CO 0.70 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3gq5 n ALA 193 N -2.50 2.12 0.91 0.00 0.00 -1.14 -2.89 120.51 117.01 3gq5 n ALA 193 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3gq5 n ALA 193 Cb 0.39 -1.38 0.25 0.00 0.00 0.00 0.00 19.45 18.71 3gq5 n ALA 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gq5 n SER 194 N -1.41 0.51 -4.71 0.00 3.41 -0.46 -4.88 113.62 106.07 3gq5 n SER 194 Ca 0.08 -0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 3gq5 n SER 194 Cb 0.24 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 3gq5 n SER 194 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gq5 s LEU 195 N -3.25 4.36 0.96 1.04 1.02 -1.14 -5.02 118.68 116.64 3gq5 s LEU 195 Ca 0.10 2.24 -0.12 0.00 0.02 0.00 0.00 54.13 56.37 3gq5 s LEU 195 Cb 0.17 -3.58 0.17 0.00 0.02 0.00 0.00 46.19 42.96 3gq5 s LEU 195 CO 0.70 -0.64 1.09 -0.94 0.02 0.00 0.00 176.35 176.57 3gq5 s SER 196 N 1.29 2.86 0.23 2.29 1.04 -1.26 -4.80 113.70 115.35 3gq5 s SER 196 Ca 0.64 1.54 -0.06 0.00 0.48 0.00 0.00 55.95 58.55 3gq5 s SER 196 Cb -0.35 -2.20 0.38 0.00 0.10 0.00 0.00 66.02 63.95 3gq5 s SER 196 CO 0.29 -3.03 1.78 -1.28 0.98 0.00 0.00 173.24 171.98 3gq5 h SER 197 N -1.82 0.48 -0.96 7.02 0.87 -1.99 -0.68 113.55 116.47 3gq5 h SER 197 Ca -0.52 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3gq5 h SER 197 Cb 1.30 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.19 3gq5 h SER 197 CO 0.53 0.26 0.64 0.50 -0.53 0.00 0.00 176.83 178.22 3gq5 h LYS 198 N 0.62 1.25 -0.29 2.24 3.64 -1.99 -1.30 116.57 120.74 3gq5 h LYS 198 Ca 0.37 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.50 3gq5 h LYS 198 Cb 0.42 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3gq5 h LYS 198 CO -0.29 0.83 -0.52 0.93 -2.27 0.00 0.00 179.45 178.13 3gq5 h GLU 199 N 1.29 0.86 -0.28 1.90 5.08 -1.65 -1.67 114.58 120.11 3gq5 h GLU 199 Ca 0.36 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3gq5 h GLU 199 Cb -0.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3gq5 h GLU 199 CO -0.08 1.18 0.13 0.82 -1.00 0.00 0.00 179.01 180.05 3gq5 h ILE 200 N 0.64 1.15 -0.44 3.13 2.04 -0.96 0.80 117.51 123.88 3gq5 h ILE 200 Ca 0.02 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.47 3gq5 h ILE 200 Cb 1.13 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3gq5 h ILE 200 CO 0.12 0.16 0.21 -0.08 0.00 0.00 0.00 178.15 178.56 3gq5 h GLU 201 N 0.31 0.42 -0.42 2.37 4.57 -1.23 -0.55 114.58 120.05 3gq5 h GLU 201 Ca 0.10 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3gq5 h GLU 201 Cb 0.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3gq5 h GLU 201 CO -0.01 0.28 0.04 -0.09 -1.18 0.00 0.00 179.01 178.04 3gq5 h ARG 202 N 0.43 0.71 -0.37 1.92 9.65 -1.10 -2.03 114.38 123.59 3gq5 h ARG 202 Ca 0.19 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3gq5 h ARG 202 Cb 0.11 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3gq5 h ARG 202 CO -0.15 0.77 0.22 1.25 2.80 0.00 0.00 179.97 184.87 3gq5 h LEU 203 N 0.55 0.45 -0.33 3.80 5.85 -0.69 -0.93 115.31 124.01 3gq5 h LEU 203 Ca 0.12 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3gq5 h LEU 203 Cb 0.42 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3gq5 h LEU 203 CO 0.01 0.37 0.05 -0.74 -0.34 0.00 0.00 178.44 177.79 3gq5 h HIS 204 N 0.49 0.07 -0.70 1.25 2.76 -1.02 0.06 115.15 118.06 3gq5 h HIS 204 Ca 0.13 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 3gq5 h HIS 204 Cb 0.00 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 3gq5 h HIS 204 CO -0.04 -0.00 0.41 1.49 -1.30 0.00 0.00 177.93 178.49 3gq5 h GLU 205 N 0.15 0.73 -0.02 5.26 4.81 -1.03 -1.89 114.58 122.59 3gq5 h GLU 205 Ca 0.16 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.14 3gq5 h GLU 205 Cb 0.18 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3gq5 h GLU 205 CO -0.22 0.49 -0.85 0.93 -0.73 0.00 0.00 179.01 178.62 3gq5 h GLU 206 N 0.76 0.34 -0.33 1.92 4.39 -0.73 -1.41 114.58 119.52 3gq5 h GLU 206 Ca 0.31 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3gq5 h GLU 206 Cb 0.16 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3gq5 h GLU 206 CO -0.17 1.01 0.16 0.52 -1.16 0.00 0.00 179.01 179.38 3gq5 h MET 207 N 0.21 0.33 -0.43 2.33 2.86 -0.77 0.65 114.93 120.11 3gq5 h MET 207 Ca -0.05 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3gq5 h MET 207 Cb 1.47 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.03 3gq5 h MET 207 CO 0.14 0.22 0.10 0.28 1.06 0.00 0.00 176.91 178.71 3gq5 h VAL 208 N 0.34 1.23 -0.56 -2.22 2.07 -1.26 -2.02 116.25 113.83 3gq5 h VAL 208 Ca 0.13 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3gq5 h VAL 208 Cb 0.04 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3gq5 h VAL 208 CO -0.09 0.29 0.30 0.00 0.02 0.00 0.00 177.57 178.08 3gq5 h ALA 209 N 0.96 0.72 0.18 1.67 0.00 -1.13 0.36 119.26 122.02 3gq5 h ALA 209 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gq5 h ALA 209 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gq5 h ALA 209 CO 0.00 0.26 -0.09 1.15 0.00 0.00 0.00 179.25 180.57 3gq5 h THR 210 N 0.76 0.85 -0.26 0.00 2.02 -0.72 -0.63 112.91 114.93 3gq5 h THR 210 Ca 0.20 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 3gq5 h THR 210 Cb 0.07 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3gq5 h THR 210 CO -0.03 0.03 -0.10 0.40 0.37 0.00 0.00 175.52 176.18 3gq5 h ILE 211 N -0.30 1.29 -0.50 3.11 1.08 -1.35 -3.12 117.51 117.73 3gq5 h ILE 211 Ca -0.03 -1.17 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 3gq5 h ILE 211 Cb 0.23 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3gq5 h ILE 211 CO 0.04 0.37 0.30 1.23 -0.69 0.00 0.00 178.15 179.40 3gq5 h GLY 212 N 0.27 0.72 1.13 5.37 0.00 -0.21 -1.56 103.07 108.78 3gq5 h GLY 212 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3gq5 h GLY 212 CO 0.03 0.28 0.26 0.83 0.00 0.00 0.00 176.54 177.95 3gq5 h GLU 213 N 0.66 1.10 -0.08 4.80 5.08 -1.20 -2.66 114.58 122.28 3gq5 h GLU 213 Ca 0.18 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 3gq5 h GLU 213 Cb -0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3gq5 h GLU 213 CO -0.03 0.92 -0.59 0.00 -1.00 0.00 0.00 179.01 178.30 3gq5 h ALA 214 N 1.21 0.85 0.00 3.43 0.00 -1.43 -3.10 119.26 120.21 3gq5 h ALA 214 Ca 0.24 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3gq5 h ALA 214 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gq5 h ALA 214 CO -0.01 0.72 -0.17 -0.24 0.00 0.00 0.00 179.25 179.54 3gq5 h VAL 215 N 0.19 0.35 0.85 0.00 3.04 -1.16 -3.47 116.25 116.06 3gq5 h VAL 215 Ca -0.00 -1.16 -0.04 0.00 -1.01 0.00 0.00 66.70 64.49 3gq5 h VAL 215 Cb 1.10 1.89 0.01 0.00 -2.01 0.00 0.00 31.29 32.27 3gq5 h VAL 215 CO 0.09 0.17 -0.41 0.24 -1.01 0.00 0.00 177.57 176.65 3gq5 h MET 216 N 0.00 -1.10 -2.22 4.17 2.07 -1.41 -3.49 114.93 112.96 3gq5 h MET 216 Ca -0.00 0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3gq5 h MET 216 Cb 0.87 0.25 0.00 0.00 -1.87 0.00 0.00 31.60 30.85 3gq5 h MET 216 CO 0.02 -0.73 -0.53 -2.39 1.07 0.00 0.00 176.91 174.35 3gq5 n HIS 238 N -5.52 -2.62 -4.47 -0.22 -0.00 -1.26 -5.02 115.22 96.11 3gq5 n HIS 238 Ca -0.14 1.38 -0.24 0.00 -0.00 0.00 0.00 57.72 58.71 3gq5 n HIS 238 Cb 0.45 -2.61 -0.13 0.00 -0.00 0.00 0.00 29.99 27.69 3gq5 n HIS 238 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3gq5 s LEU 239 N -2.07 2.21 -0.14 2.39 1.43 -1.26 -5.07 118.68 116.17 3gq5 s LEU 239 Ca 0.00 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3gq5 s LEU 239 Cb 0.00 -0.87 -0.24 0.00 0.03 0.00 0.00 46.19 45.10 3gq5 s LEU 239 CO 0.00 0.10 0.32 -1.22 0.23 0.00 0.00 176.35 175.78 3gq5 n TYR 240 N 1.59 1.20 0.00 0.29 4.02 -1.26 -4.86 117.16 118.14 3gq5 n TYR 240 Ca -0.18 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 3gq5 n TYR 240 Cb 0.54 -1.15 0.00 0.00 -0.02 0.00 0.00 39.34 38.71 3gq5 n TYR 240 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3gq5 n VAL 241 N -3.73 0.00 -1.72 -0.72 0.24 -1.26 -4.61 118.33 106.53 3gq5 n VAL 241 Ca -0.32 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 3gq5 n VAL 241 Cb 0.95 -0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 3gq5 n VAL 241 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3gq5 s TYR 242 N -1.50 1.83 0.00 6.34 5.04 -1.26 -1.40 117.35 126.40 3gq5 s TYR 242 Ca 0.00 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 3gq5 s TYR 242 Cb 0.00 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.13 3gq5 s TYR 242 CO 0.00 -5.05 0.00 0.41 -1.34 0.00 0.00 175.55 169.57 3gq5 n GLY 243 N 4.33 0.33 1.21 8.97 0.00 -1.26 -4.88 105.19 113.90 3gq5 n GLY 243 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3gq5 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gq5 n ARG 244 N -1.35 2.98 -1.61 1.61 1.74 -0.50 -5.01 116.66 114.53 3gq5 n ARG 244 Ca 0.00 -2.57 -0.48 0.00 -0.77 0.00 0.00 57.85 54.03 3gq5 n ARG 244 Cb 0.18 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 30.01 3gq5 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gq5 n GLN 245 N 1.19 1.46 0.00 5.56 0.00 -1.26 -1.35 117.38 122.97 3gq5 n GLN 245 Ca 0.22 0.52 0.00 0.00 0.00 0.00 0.00 57.00 57.73 3gq5 n GLN 245 Cb 0.64 -2.08 0.00 0.00 0.00 0.00 0.00 30.24 28.80 3gq5 n GLN 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gq5 n GLY 246 N 2.11 3.20 3.93 2.61 0.00 0.46 -4.94 105.19 112.56 3gq5 n GLY 246 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3gq5 n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gq5 s ASN 247 N -0.92 6.29 0.32 1.61 0.01 -0.46 -4.73 114.94 117.06 3gq5 s ASN 247 Ca 0.00 0.67 -0.28 0.00 -0.71 0.00 0.00 52.86 52.54 3gq5 s ASN 247 Cb 0.00 -2.13 -0.09 0.00 0.41 0.00 0.00 41.25 39.44 3gq5 s ASN 247 CO 0.00 -0.41 1.14 -2.16 -1.51 0.00 0.00 177.10 174.16 3gq5 s PRO 248 N -4.47 4.44 0.31 -0.60 0.04 -1.26 -0.97 135.00 132.49 3gq5 s PRO 248 Ca 0.43 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 3gq5 s PRO 248 Cb -0.10 -3.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 3gq5 s PRO 248 CO 0.40 0.02 1.45 0.00 0.04 0.00 0.00 177.00 178.91 3gq5 h LYS 250 N 3.69 0.00 0.00 0.00 1.57 -1.90 -0.46 116.57 119.47 3gq5 h LYS 250 Ca -0.47 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 57.97 3gq5 h LYS 250 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 3gq5 h LYS 250 CO 0.71 0.00 -2.29 0.54 -0.57 0.00 0.00 179.45 177.84 3gq5 n ARG 251 N -2.66 0.88 0.00 3.15 5.12 -1.26 -4.80 116.66 117.09 3gq5 n ARG 251 Ca 0.03 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 3gq5 n ARG 251 Cb 0.36 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3gq5 n ARG 251 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gq5 n GLY 253 N 0.44 1.86 3.76 0.00 0.00 -0.18 -4.94 105.19 106.12 3gq5 n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gq5 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gq5 s THR 254 N -2.94 2.58 0.15 2.61 2.01 -1.26 -3.98 115.64 114.82 3gq5 s THR 254 Ca 0.00 0.53 -0.33 0.00 0.31 0.00 0.00 61.69 62.20 3gq5 s THR 254 Cb 0.00 -3.34 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 3gq5 s THR 254 CO 0.00 0.10 1.71 -2.65 -0.69 0.00 0.00 174.62 173.10 3gq5 n PRO 255 N 1.55 2.54 -2.00 4.92 -0.02 -1.26 0.03 135.00 140.76 3gq5 n PRO 255 Ca 0.04 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 62.03 3gq5 n PRO 255 Cb 0.41 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.12 3gq5 n PRO 255 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gq5 s ILE 256 N 1.62 2.48 0.28 4.25 -1.09 -0.14 -4.65 121.20 123.94 3gq5 s ILE 256 Ca 0.79 0.47 0.10 0.00 -2.23 0.00 0.00 60.65 59.78 3gq5 s ILE 256 Cb -0.57 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 3gq5 s ILE 256 CO 0.36 0.10 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.48 3gq5 s GLU 257 N -2.01 2.04 -0.06 2.79 2.02 -0.48 -0.41 118.70 122.60 3gq5 s GLU 257 Ca 0.52 -1.57 0.02 0.00 0.02 0.00 0.00 54.97 53.96 3gq5 s GLU 257 Cb -0.41 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 31.83 3gq5 s GLU 257 CO 0.55 0.34 -0.11 0.21 0.02 0.00 0.00 175.26 176.27 3gq5 s LYS 258 N -3.61 1.56 0.12 1.61 2.20 -1.26 -1.49 119.74 118.86 3gq5 s LYS 258 Ca 0.31 -0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 3gq5 s LYS 258 Cb -0.06 -1.32 -0.01 0.00 -1.51 0.00 0.00 37.83 34.94 3gq5 s LYS 258 CO 0.18 0.00 0.06 0.25 -0.36 0.00 0.00 175.35 175.49 3gq5 n THR 259 N 3.87 0.00 -4.15 3.43 -2.24 0.25 -4.96 114.28 110.48 3gq5 n THR 259 Ca -0.23 -0.76 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 3gq5 n THR 259 Cb 0.52 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 3gq5 n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gq5 s VAL 260 N -2.19 3.68 -0.04 2.28 1.01 -1.26 -1.20 120.40 122.68 3gq5 s VAL 260 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3gq5 s VAL 260 Cb 0.00 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.76 3gq5 s VAL 260 CO 0.06 0.45 0.02 -0.69 0.00 0.00 0.00 175.10 174.94 3gq5 s VAL 261 N 0.98 0.15 -1.42 2.92 1.01 -1.06 -4.83 120.40 118.15 3gq5 s VAL 261 Ca 0.01 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3gq5 s VAL 261 Cb -0.15 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.96 3gq5 s VAL 261 CO 0.01 0.18 1.04 0.00 0.00 0.00 0.00 175.10 176.33 3gq5 n ALA 262 N 4.66 -1.24 -3.89 5.51 0.00 -1.26 -2.36 120.51 121.93 3gq5 n ALA 262 Ca -0.16 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3gq5 n ALA 262 Cb 0.50 -5.03 0.02 0.00 0.00 0.00 0.00 19.45 14.94 3gq5 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gq5 n GLY 263 N -1.86 -0.40 3.02 0.00 0.00 -1.26 -5.00 105.19 99.69 3gq5 n GLY 263 Ca -0.01 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3gq5 n GLY 263 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gq5 s ARG 264 N -6.47 0.40 0.07 1.61 1.81 -1.00 -5.12 118.95 110.26 3gq5 s ARG 264 Ca 0.40 -0.73 -0.31 0.00 -1.72 0.00 0.00 55.73 53.38 3gq5 s ARG 264 Cb -0.21 0.15 -0.08 0.00 -0.45 0.00 0.00 34.95 34.36 3gq5 s ARG 264 CO 0.84 -0.07 1.66 0.20 -0.68 0.00 0.00 175.30 177.25 3gq5 s GLY 265 N -1.80 1.54 -0.08 -3.53 0.00 -1.26 -2.55 107.32 99.65 3gq5 s GLY 265 Ca -0.10 1.22 0.01 0.00 0.00 0.00 0.00 44.72 45.84 3gq5 s GLY 265 CO -0.03 2.90 -0.08 -1.59 0.00 0.00 0.00 173.10 174.30 3gq5 s THR 266 N 2.65 0.93 -0.07 0.90 2.01 -0.34 -4.94 115.64 116.78 3gq5 s THR 266 Ca 0.74 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.50 3gq5 s THR 266 Cb -0.40 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3gq5 s THR 266 CO 0.32 0.33 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.34 3gq5 s HIS 267 N 1.19 2.42 0.06 4.92 3.76 -1.26 -0.58 115.29 125.80 3gq5 s HIS 267 Ca -0.05 -0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 53.80 3gq5 s HIS 267 Cb -0.14 -1.60 0.07 0.00 1.11 0.00 0.00 32.58 32.02 3gq5 s HIS 267 CO -0.02 -0.27 0.65 1.52 -0.85 0.00 0.00 174.74 175.77 3gq5 s TYR 268 N -0.01 -0.58 -0.27 1.40 -0.85 -0.56 -4.81 117.35 111.67 3gq5 s TYR 268 Ca -0.08 0.67 -0.16 0.00 -0.52 0.00 0.00 57.07 56.98 3gq5 s TYR 268 Cb -0.15 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.65 3gq5 s TYR 268 CO 0.05 -0.74 0.41 0.00 -1.52 0.00 0.00 175.55 173.76 3gq5 n PRO 270 N 5.40 0.07 -0.11 0.00 -0.04 -1.26 -1.66 135.00 137.40 3gq5 n PRO 270 Ca -0.07 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.35 3gq5 n PRO 270 Cb 0.50 -1.60 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 3gq5 n PRO 270 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3gq5 n ARG 271 N -1.73 0.58 0.09 0.54 0.63 -1.26 -4.53 116.66 110.98 3gq5 n ARG 271 Ca 0.05 0.50 -0.02 0.00 -0.92 0.00 0.00 57.85 57.46 3gq5 n ARG 271 Cb 0.27 -1.69 0.24 0.00 0.45 0.00 0.00 32.46 31.73 3gq5 n ARG 271 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3gq5 s GLN 273 N -4.23 3.68 0.00 0.00 -0.21 -0.66 -4.53 119.66 113.71 3gq5 s GLN 273 Ca -0.05 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.13 3gq5 s GLN 273 Cb 0.14 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.92 3gq5 s GLN 273 CO 0.77 0.58 0.26 0.54 -2.12 0.00 0.00 175.29 175.31