#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7l s GLU 9 N 0.00 4.28 0.25 3.44 2.12 -1.26 -4.97 118.70 122.56 1q7l s GLU 9 Ca 0.00 2.25 -0.30 0.00 0.36 0.00 0.00 54.97 57.28 1q7l s GLU 9 Cb 0.00 -3.02 -0.10 0.00 0.26 0.00 0.00 34.13 31.27 1q7l s GLU 9 CO 0.00 -0.26 1.45 -1.58 -0.54 0.00 0.00 175.26 174.32 1q7l s HIS 10 N -1.16 3.00 0.52 5.30 5.65 -1.26 -4.86 115.29 122.49 1q7l s HIS 10 Ca 0.50 1.02 0.21 0.00 0.25 0.00 0.00 55.06 57.04 1q7l s HIS 10 Cb -0.40 -3.83 1.33 0.00 -1.18 0.00 0.00 32.58 28.50 1q7l s HIS 10 CO 0.53 -2.71 2.06 -1.35 -0.65 0.00 0.00 174.74 172.63 1q7l h PRO 11 N 4.99 0.01 -0.38 2.88 0.11 -2.00 -0.89 132.00 136.73 1q7l h PRO 11 Ca -0.46 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1q7l h PRO 11 Cb 1.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1q7l h PRO 11 CO 0.78 0.01 -0.08 0.77 -0.21 0.00 0.00 178.00 179.26 1q7l h SER 12 N 0.01 0.62 -0.39 -2.05 0.02 -2.00 -1.29 113.55 108.47 1q7l h SER 12 Ca 0.15 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1q7l h SER 12 Cb 0.58 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1q7l h SER 12 CO -0.00 0.75 -0.11 0.58 -1.14 0.00 0.00 176.83 176.91 1q7l h VAL 13 N 0.59 1.28 -0.72 2.27 2.07 -1.57 -0.93 116.25 119.24 1q7l h VAL 13 Ca 0.11 -1.20 0.08 0.00 0.82 0.00 0.00 66.70 66.51 1q7l h VAL 13 Cb 0.50 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1q7l h VAL 13 CO 0.03 0.40 0.38 0.74 0.02 0.00 0.00 177.57 179.14 1q7l h THR 14 N 0.58 0.89 -0.35 2.57 2.02 -1.03 0.29 112.91 117.87 1q7l h THR 14 Ca 0.10 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1q7l h THR 14 Cb 0.63 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1q7l h THR 14 CO 0.04 0.12 -0.11 0.25 0.37 0.00 0.00 175.52 176.19 1q7l h LEU 15 N 0.66 0.71 -0.33 2.58 5.85 -1.07 -0.37 115.31 123.34 1q7l h LEU 15 Ca 0.35 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1q7l h LEU 15 Cb 0.32 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1q7l h LEU 15 CO -0.24 0.92 0.02 0.15 -0.34 0.00 0.00 178.44 178.95 1q7l h PHE 16 N 0.48 0.02 -0.89 1.25 3.57 -0.83 -1.75 116.94 118.79 1q7l h PHE 16 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1q7l h PHE 16 Cb 0.63 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1q7l h PHE 16 CO 0.05 -0.04 0.46 0.00 -2.23 0.00 0.00 178.31 176.56 1q7l h ARG 17 N 0.12 1.25 -0.23 1.11 3.08 -0.75 -0.64 114.38 118.33 1q7l h ARG 17 Ca 0.16 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1q7l h ARG 17 Cb 0.21 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1q7l h ARG 17 CO -0.25 0.93 0.07 0.37 -1.07 0.00 0.00 179.97 180.02 1q7l h GLN 18 N 1.25 0.17 -0.32 0.04 4.15 -0.60 -2.42 115.11 117.38 1q7l h GLN 18 Ca 0.31 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.62 1q7l h GLN 18 Cb 0.06 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1q7l h GLN 18 CO -0.05 0.11 -0.19 -0.92 -1.93 0.00 0.00 178.83 175.85 1q7l h TYR 19 N 0.18 0.67 0.00 3.99 3.20 -0.90 -1.72 116.97 122.38 1q7l h TYR 19 Ca 0.10 -0.13 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1q7l h TYR 19 Cb 0.07 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1q7l h TYR 19 CO -0.13 0.76 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.06 1q7l h LEU 20 N 0.54 0.00 -0.10 2.82 3.38 -0.74 -2.06 115.31 119.14 1q7l h LEU 20 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1q7l h LEU 20 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1q7l h LEU 20 CO 0.04 0.02 -0.21 0.54 0.09 0.00 0.00 178.44 178.92 1q7l n ARG 21 N -3.25 0.27 -2.47 1.13 1.74 -0.65 -4.75 116.66 108.68 1q7l n ARG 21 Ca -0.02 -0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.53 1q7l n ARG 21 Cb 0.15 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1q7l n ARG 21 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q7l s ILE 22 N -2.80 4.31 -1.41 0.55 1.01 -0.78 -4.93 121.20 117.16 1q7l s ILE 22 Ca 0.18 1.61 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 1q7l s ILE 22 Cb 0.19 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1q7l s ILE 22 CO 0.57 -0.07 2.09 0.54 0.00 0.00 0.00 174.94 178.07 1q7l n ARG 23 N 5.83 3.01 -0.97 2.79 1.74 -1.26 -4.75 116.66 123.05 1q7l n ARG 23 Ca 0.12 -2.85 -0.19 0.00 -0.77 0.00 0.00 57.85 54.16 1q7l n ARG 23 Cb 0.46 -3.27 0.03 0.00 -1.02 0.00 0.00 32.46 28.66 1q7l n ARG 23 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1q7l n THR 24 N 5.08 2.88 -3.12 0.55 -2.24 -1.26 -1.21 114.28 114.96 1q7l n THR 24 Ca 0.50 -1.85 -0.39 0.00 -2.27 0.00 0.00 64.05 60.03 1q7l n THR 24 Cb 0.40 -1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 1q7l n THR 24 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q7l s VAL 25 N -2.47 4.98 0.72 2.28 0.11 -1.26 -1.47 120.40 123.29 1q7l s VAL 25 Ca 0.36 1.34 -0.16 0.00 -2.93 0.00 0.00 61.98 60.59 1q7l s VAL 25 Cb 0.27 -3.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1q7l s VAL 25 CO -0.02 0.33 1.23 0.00 -3.33 0.00 0.00 175.10 173.30 1q7l n GLN 26 N 3.30 0.66 0.00 1.54 1.13 -0.38 -2.16 117.38 121.47 1q7l n GLN 26 Ca -0.04 0.29 0.13 0.00 -1.94 0.00 0.00 57.00 55.44 1q7l n GLN 26 Cb 0.51 -2.46 0.39 0.00 0.11 0.00 0.00 30.24 28.79 1q7l n GLN 26 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1q7l n PRO 27 N -2.49 1.78 -3.46 -1.09 -0.04 -1.26 -4.25 135.00 124.19 1q7l n PRO 27 Ca 0.15 -1.19 -0.26 0.00 -0.04 0.00 0.00 63.50 62.16 1q7l n PRO 27 Cb 0.49 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 1q7l n PRO 27 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q7l n LYS 28 N 0.42 1.45 -1.82 0.54 4.76 -1.17 -5.12 118.16 117.23 1q7l n LYS 28 Ca 0.17 -3.96 -0.38 0.00 -2.87 0.00 0.00 58.31 51.27 1q7l n LYS 28 Cb 0.42 -1.87 0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1q7l n LYS 28 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1q7l s PRO 29 N -1.44 3.07 -1.40 1.97 0.02 -0.92 -4.70 135.00 131.60 1q7l s PRO 29 Ca 0.34 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.36 1q7l s PRO 29 Cb 0.09 -2.17 0.06 0.00 0.02 0.00 0.00 34.50 32.49 1q7l s PRO 29 CO -0.11 -1.22 2.06 -3.47 -0.33 0.00 0.00 177.00 173.93 1q7l n ASP 30 N -1.18 4.26 0.12 2.53 -0.08 -0.35 -4.69 116.55 117.15 1q7l n ASP 30 Ca 0.11 -2.88 0.00 0.00 -1.51 0.00 0.00 54.79 50.52 1q7l n ASP 30 Cb 0.46 -1.68 0.31 0.00 2.34 0.00 0.00 41.12 42.55 1q7l n ASP 30 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1q7l h TYR 31 N 6.48 0.23 -0.72 -0.67 0.05 -1.89 -2.68 116.97 117.77 1q7l h TYR 31 Ca 0.52 -0.04 0.06 0.00 0.05 0.00 0.00 58.73 59.32 1q7l h TYR 31 Cb 0.71 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 38.34 1q7l h TYR 31 CO 1.44 0.48 0.42 0.78 -1.05 0.00 0.00 178.16 180.23 1q7l h GLY 32 N 1.01 1.07 1.34 3.88 0.00 -1.95 0.12 103.07 108.53 1q7l h GLY 32 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1q7l h GLY 32 CO 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 176.54 176.75 1q7l h ALA 33 N 1.36 1.06 -0.09 3.60 0.00 -1.90 -0.84 119.26 122.45 1q7l h ALA 33 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1q7l h ALA 33 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q7l h ALA 33 CO -0.18 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1q7l h ALA 34 N 1.22 0.12 -0.74 0.00 0.00 -1.04 -0.89 119.26 117.93 1q7l h ALA 34 Ca 0.14 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q7l h ALA 34 Cb 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1q7l h ALA 34 CO 0.02 -0.20 0.45 0.28 0.00 0.00 0.00 179.25 179.81 1q7l h VAL 35 N -0.12 1.04 -0.82 0.00 2.07 -0.71 -1.27 116.25 116.45 1q7l h VAL 35 Ca 0.03 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1q7l h VAL 35 Cb 0.35 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1q7l h VAL 35 CO 0.00 0.15 0.50 0.00 0.02 0.00 0.00 177.57 178.25 1q7l h ALA 36 N 1.35 1.04 -0.60 1.67 0.00 -1.00 0.50 119.26 122.22 1q7l h ALA 36 Ca 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1q7l h ALA 36 Cb 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1q7l h ALA 36 CO -0.15 0.50 0.40 0.35 0.00 0.00 0.00 179.25 180.34 1q7l h PHE 37 N 1.12 0.75 -0.31 0.00 3.57 -0.29 -0.58 116.94 121.21 1q7l h PHE 37 Ca 0.29 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.68 1q7l h PHE 37 Cb -0.05 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1q7l h PHE 37 CO -0.01 0.47 -0.34 0.74 -2.23 0.00 0.00 178.31 176.94 1q7l h PHE 38 N 0.81 0.79 -0.28 0.41 0.04 -0.77 -0.06 116.94 117.89 1q7l h PHE 38 Ca 0.22 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1q7l h PHE 38 Cb -0.09 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1q7l h PHE 38 CO -0.03 0.93 0.14 0.93 -0.60 0.00 0.00 178.31 179.67 1q7l h GLU 39 N 0.57 0.40 -0.74 1.51 5.08 -0.66 0.56 114.58 121.30 1q7l h GLU 39 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1q7l h GLU 39 Cb 0.86 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1q7l h GLU 39 CO 0.07 0.38 0.39 1.49 -1.00 0.00 0.00 179.01 180.35 1q7l h GLU 40 N 0.31 1.03 -0.73 2.33 4.57 -0.99 -1.39 114.58 119.72 1q7l h GLU 40 Ca 0.10 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1q7l h GLU 40 Cb 0.11 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1q7l h GLU 40 CO -0.01 0.78 0.22 1.15 -1.18 0.00 0.00 179.01 179.97 1q7l h THR 41 N 1.02 1.26 -0.49 0.32 2.02 -0.72 -0.84 112.91 115.48 1q7l h THR 41 Ca 0.26 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1q7l h THR 41 Cb 0.05 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1q7l h THR 41 CO -0.04 0.36 0.30 0.00 0.37 0.00 0.00 175.52 176.51 1q7l h ALA 42 N 1.14 0.62 -0.46 6.16 0.00 -0.64 -0.60 119.26 125.49 1q7l h ALA 42 Ca 0.24 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1q7l h ALA 42 Cb 0.31 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1q7l h ALA 42 CO -0.01 0.10 0.17 -0.09 0.00 0.00 0.00 179.25 179.42 1q7l h ARG 43 N 0.66 0.33 -0.17 0.00 2.43 -0.85 -0.03 114.38 116.76 1q7l h ARG 43 Ca 0.18 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1q7l h ARG 43 Cb -0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1q7l h ARG 43 CO -0.03 0.22 -0.34 1.96 -1.51 0.00 0.00 179.97 180.27 1q7l h GLN 44 N 0.34 0.34 -0.00 0.20 4.20 -0.56 -2.70 115.11 116.93 1q7l h GLN 44 Ca 0.22 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1q7l h GLN 44 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1q7l h GLN 44 CO -0.21 0.64 -0.35 1.28 -0.67 0.00 0.00 178.83 179.52 1q7l n LEU 45 N -4.08 0.41 -2.67 1.46 4.77 -0.29 -4.95 117.00 111.65 1q7l n LEU 45 Ca -0.01 0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 1q7l n LEU 45 Cb 0.44 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1q7l n LEU 45 CO 0.42 0.10 0.16 0.61 -1.33 0.00 0.00 177.39 177.35 1q7l n GLY 46 N 1.48 -0.10 3.86 -0.72 0.00 -0.18 -5.04 105.19 104.49 1q7l n GLY 46 Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1q7l n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q7l s LEU 47 N -5.38 4.04 0.60 0.99 1.43 -0.29 -5.02 118.68 115.06 1q7l s LEU 47 Ca 0.36 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 1q7l s LEU 47 Cb -0.16 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1q7l s LEU 47 CO 0.51 0.06 1.16 -0.83 0.23 0.00 0.00 176.35 177.49 1q7l s GLY 48 N -3.14 2.56 -0.05 -3.19 0.00 -0.53 -4.57 107.32 98.41 1q7l s GLY 48 Ca 0.32 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.88 1q7l s GLY 48 CO 0.26 1.23 0.08 0.00 0.00 0.00 0.00 173.10 174.66 1q7l s GLN 50 N 1.89 1.97 -0.18 0.00 0.74 -0.19 -4.99 119.66 118.90 1q7l s GLN 50 Ca 0.01 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.72 1q7l s GLN 50 Cb -0.12 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.29 1q7l s GLN 50 CO -0.04 0.22 0.02 0.15 -0.55 0.00 0.00 175.29 175.10 1q7l s LYS 51 N 0.12 3.78 -0.23 1.67 1.02 -1.26 -0.30 119.74 124.53 1q7l s LYS 51 Ca -0.07 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.49 1q7l s LYS 51 Cb -0.13 -3.10 0.06 0.00 -0.52 0.00 0.00 37.83 34.14 1q7l s LYS 51 CO 0.03 0.17 -0.09 0.08 -0.92 0.00 0.00 175.35 174.63 1q7l s VAL 52 N 0.60 1.77 -0.69 3.17 1.01 0.41 -4.96 120.40 121.71 1q7l s VAL 52 Ca 0.01 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 1q7l s VAL 52 Cb -0.14 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1q7l s VAL 52 CO 0.02 -0.01 1.05 -0.70 0.00 0.00 0.00 175.10 175.46 1q7l s GLU 53 N 1.30 3.15 0.31 2.72 2.12 -1.26 -0.47 118.70 126.56 1q7l s GLU 53 Ca -0.06 -0.74 0.19 0.00 0.36 0.00 0.00 54.97 54.72 1q7l s GLU 53 Cb -0.19 -4.26 0.14 0.00 0.26 0.00 0.00 34.13 30.08 1q7l s GLU 53 CO -0.06 -1.90 1.41 -0.39 -0.54 0.00 0.00 175.26 173.78 1q7l h VAL 54 N 6.00 0.44 -3.20 3.70 -1.51 -1.58 -3.46 116.25 116.64 1q7l h VAL 54 Ca -0.26 -1.65 -0.06 0.00 -1.23 0.00 0.00 66.70 63.49 1q7l h VAL 54 Cb 1.06 2.15 -0.14 0.00 -2.13 0.00 0.00 31.29 32.23 1q7l h VAL 54 CO 1.21 0.25 -0.07 0.00 -1.23 0.00 0.00 177.57 177.73 1q7l s ALA 55 N -3.08 -1.01 0.12 5.19 0.00 -1.24 -5.01 121.76 116.73 1q7l s ALA 55 Ca 0.04 0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 1q7l s ALA 55 Cb 0.07 0.55 -0.10 0.00 0.00 0.00 0.00 23.12 23.64 1q7l s ALA 55 CO 0.73 -0.57 1.82 -2.14 0.00 0.00 0.00 175.76 175.60 1q7l s PRO 56 N -3.23 4.14 0.00 0.00 0.02 -1.26 -0.77 135.00 133.90 1q7l s PRO 56 Ca -0.01 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1q7l s PRO 56 Cb 0.01 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.95 1q7l s PRO 56 CO -0.08 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.17 1q7l n GLY 57 N 4.21 0.75 2.87 0.52 0.00 -1.26 -5.02 105.19 107.27 1q7l n GLY 57 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1q7l n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q7l s TYR 58 N -2.86 2.79 -0.21 1.61 2.02 0.05 -5.00 117.35 115.76 1q7l s TYR 58 Ca 0.00 -2.62 -0.06 0.00 -0.37 0.00 0.00 57.07 54.02 1q7l s TYR 58 Cb 0.00 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.13 1q7l s TYR 58 CO 0.00 -0.86 0.03 0.08 -1.57 0.00 0.00 175.55 173.23 1q7l s VAL 59 N 0.72 4.16 -0.10 0.71 1.01 -1.26 -1.42 120.40 124.22 1q7l s VAL 59 Ca 0.13 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1q7l s VAL 59 Cb -0.21 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1q7l s VAL 59 CO -0.09 0.41 0.61 -0.69 0.00 0.00 0.00 175.10 175.35 1q7l s VAL 60 N 1.04 5.10 -0.16 2.92 1.01 0.37 -4.37 120.40 126.31 1q7l s VAL 60 Ca 0.03 1.25 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1q7l s VAL 60 Cb -0.14 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1q7l s VAL 60 CO 0.02 0.27 -0.05 -0.89 0.00 0.00 0.00 175.10 174.45 1q7l s THR 61 N 0.83 3.69 -0.20 3.92 2.01 -0.73 -0.45 115.64 124.71 1q7l s THR 61 Ca 0.33 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1q7l s THR 61 Cb -0.17 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1q7l s THR 61 CO 0.15 0.48 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.74 1q7l s VAL 62 N 0.58 2.56 -0.15 3.82 1.01 0.58 -0.27 120.40 128.54 1q7l s VAL 62 Ca -0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1q7l s VAL 62 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1q7l s VAL 62 CO 0.03 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 174.89 1q7l s LEU 63 N 1.35 3.99 -0.07 3.92 1.02 0.52 -1.02 118.68 128.38 1q7l s LEU 63 Ca 0.04 0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.44 1q7l s LEU 63 Cb -0.14 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.09 1q7l s LEU 63 CO -0.09 0.27 -0.16 -0.89 0.02 0.00 0.00 176.35 175.51 1q7l s THR 64 N -0.23 1.43 -0.45 5.49 2.01 -0.13 -0.13 115.64 123.64 1q7l s THR 64 Ca 0.09 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1q7l s THR 64 Cb -0.12 -1.27 0.12 0.00 0.01 0.00 0.00 72.50 71.24 1q7l s THR 64 CO 0.01 0.42 0.24 0.86 -0.69 0.00 0.00 174.62 175.47 1q7l s TRP 65 N 0.50 3.56 0.31 4.92 -0.00 0.03 -1.45 118.94 126.81 1q7l s TRP 65 Ca -0.15 -2.50 -0.30 0.00 -0.00 0.00 0.00 56.10 53.16 1q7l s TRP 65 Cb -0.16 -3.21 -0.12 0.00 -0.00 0.00 0.00 33.47 29.98 1q7l s TRP 65 CO 0.05 -0.95 1.57 -2.30 -0.00 0.00 0.00 176.95 175.32 1q7l n PRO 66 N 4.37 2.68 -1.98 5.86 -0.02 -1.26 -1.90 135.00 142.75 1q7l n PRO 66 Ca -0.00 0.95 -0.29 0.00 -2.02 0.00 0.00 63.50 62.14 1q7l n PRO 66 Cb 0.41 -2.72 0.14 0.00 -0.02 0.00 0.00 33.50 31.31 1q7l n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q7l s GLY 67 N 0.34 1.71 0.07 -1.23 0.00 -1.26 -4.82 107.32 102.14 1q7l s GLY 67 Ca 0.61 -1.04 0.26 0.00 0.00 0.00 0.00 44.72 44.55 1q7l s GLY 67 CO 0.52 -0.40 1.53 -1.30 0.00 0.00 0.00 173.10 173.46 1q7l n THR 68 N -3.51 0.22 -3.96 0.90 -2.24 0.09 -4.52 114.28 101.25 1q7l n THR 68 Ca 0.12 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 1q7l n THR 68 Cb 0.60 -0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.53 1q7l n THR 68 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1q7l s ASN 69 N -3.67 4.50 0.00 3.42 3.84 -0.35 -4.99 114.94 117.70 1q7l s ASN 69 Ca 0.10 -2.48 0.14 0.00 0.21 0.00 0.00 52.86 50.83 1q7l s ASN 69 Cb 0.16 -1.56 0.83 0.00 -0.55 0.00 0.00 41.25 40.12 1q7l s ASN 69 CO 0.66 -0.32 1.26 -0.81 -2.79 0.00 0.00 177.10 175.10 1q7l n PRO 70 N 3.82 0.43 0.00 0.43 -0.04 -1.26 -2.22 135.00 136.16 1q7l n PRO 70 Ca 0.04 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 1q7l n PRO 70 Cb 0.38 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.49 1q7l n PRO 70 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1q7l n THR 71 N -1.01 0.00 -3.38 0.52 -2.24 -1.26 -4.93 114.28 101.98 1q7l n THR 71 Ca 0.10 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1q7l n THR 71 Cb 0.05 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1q7l n THR 71 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1q7l s LEU 72 N -2.72 4.36 0.67 3.22 1.43 -0.94 -5.06 118.68 119.63 1q7l s LEU 72 Ca 0.16 1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 1q7l s LEU 72 Cb 0.18 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.20 1q7l s LEU 72 CO 0.65 0.13 1.26 -0.94 0.23 0.00 0.00 176.35 177.67 1q7l s SER 73 N -1.67 4.54 0.44 2.29 1.04 -1.26 -4.72 113.70 114.36 1q7l s SER 73 Ca 0.36 2.51 -0.00 0.00 0.48 0.00 0.00 55.95 59.30 1q7l s SER 73 Cb -0.15 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.35 1q7l s SER 73 CO 0.19 -2.04 0.67 -0.94 0.98 0.00 0.00 173.24 172.10 1q7l s SER 74 N -1.61 5.94 -0.23 7.02 1.04 -0.07 -4.58 113.70 121.21 1q7l s SER 74 Ca 0.79 0.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 1q7l s SER 74 Cb -0.34 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 1q7l s SER 74 CO 0.40 -0.64 0.24 -0.63 0.98 0.00 0.00 173.24 173.60 1q7l s ILE 75 N -2.55 5.30 -0.21 -1.02 -1.09 0.17 0.05 121.20 121.86 1q7l s ILE 75 Ca 0.47 0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 59.15 1q7l s ILE 75 Cb -0.10 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1q7l s ILE 75 CO 0.38 0.30 0.15 -0.76 -1.23 0.00 0.00 174.94 173.78 1q7l s LEU 76 N 1.22 4.19 -0.39 2.97 1.43 0.50 -0.68 118.68 127.91 1q7l s LEU 76 Ca 0.11 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1q7l s LEU 76 Cb -0.14 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.06 1q7l s LEU 76 CO 0.06 0.15 0.17 -0.76 0.23 0.00 0.00 176.35 176.20 1q7l s LEU 77 N 0.54 4.98 0.08 1.79 1.43 0.43 -1.09 118.68 126.84 1q7l s LEU 77 Ca 0.08 -1.81 0.03 0.00 -1.03 0.00 0.00 54.13 51.41 1q7l s LEU 77 Cb -0.12 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1q7l s LEU 77 CO -0.00 -0.49 0.08 0.20 0.23 0.00 0.00 176.35 176.37 1q7l s ASN 78 N 1.76 5.55 0.14 2.29 0.02 0.31 -1.67 114.94 123.33 1q7l s ASN 78 Ca 0.05 -0.00 -0.24 0.00 -1.02 0.00 0.00 52.86 51.65 1q7l s ASN 78 Cb -0.22 -1.50 0.07 0.00 0.02 0.00 0.00 41.25 39.62 1q7l s ASN 78 CO -0.03 0.17 0.70 -0.94 0.02 0.00 0.00 177.10 177.03 1q7l s SER 79 N -2.39 -0.46 0.01 -1.22 1.04 -0.65 -4.28 113.70 105.75 1q7l s SER 79 Ca 0.29 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.64 1q7l s SER 79 Cb -0.12 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1q7l s SER 79 CO 0.22 -0.93 0.02 -1.38 0.98 0.00 0.00 173.24 172.14 1q7l s HIS 80 N -3.60 3.11 -0.26 5.02 -3.43 -1.26 -1.21 115.29 113.66 1q7l s HIS 80 Ca 0.04 0.09 0.22 0.00 -0.80 0.00 0.00 55.06 54.62 1q7l s HIS 80 Cb -0.02 -1.67 -0.12 0.00 -1.43 0.00 0.00 32.58 29.35 1q7l s HIS 80 CO -0.09 0.48 0.83 0.25 -2.00 0.00 0.00 174.74 174.22 1q7l n THR 81 N 1.27 0.29 -2.40 -5.38 -2.24 0.14 -4.64 114.28 101.33 1q7l n THR 81 Ca -0.14 -0.46 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1q7l n THR 81 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1q7l n THR 81 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1q7l s ASP 82 N -4.70 6.62 0.13 3.42 -4.77 -1.26 -4.74 116.67 111.37 1q7l s ASP 82 Ca -0.02 1.57 0.05 0.00 -3.30 0.00 0.00 52.55 50.85 1q7l s ASP 82 Cb 0.12 -2.51 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 1q7l s ASP 82 CO 0.84 -0.59 -0.13 0.68 0.70 0.00 0.00 175.17 176.68 1q7l s VAL 83 N -2.62 1.29 0.69 2.11 -7.23 -0.54 -4.71 120.40 109.38 1q7l s VAL 83 Ca 0.59 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 1q7l s VAL 83 Cb -0.10 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.20 1q7l s VAL 83 CO 0.31 -0.53 1.07 0.68 -0.31 0.00 0.00 175.10 176.32 1q7l s VAL 84 N -2.55 3.91 1.37 1.32 -7.23 -1.26 -1.25 120.40 114.71 1q7l s VAL 84 Ca 0.12 0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 60.70 1q7l s VAL 84 Cb -0.02 -3.53 0.35 0.00 0.56 0.00 0.00 36.38 33.74 1q7l s VAL 84 CO 0.02 -0.81 0.96 -2.84 -0.31 0.00 0.00 175.10 172.13 1q7l s PRO 85 N -5.21 -2.49 0.10 4.82 0.02 -1.26 -4.64 135.00 126.34 1q7l s PRO 85 Ca 0.58 0.20 0.04 0.00 0.02 0.00 0.00 61.00 61.83 1q7l s PRO 85 Cb -0.12 -1.42 -0.04 0.00 0.02 0.00 0.00 34.50 32.94 1q7l s PRO 85 CO 0.53 -4.60 -0.10 0.14 -0.33 0.00 0.00 177.00 172.64 1q7l s VAL 86 N -2.39 0.99 -0.65 3.83 -7.23 -1.26 -5.07 120.40 108.63 1q7l s VAL 86 Ca 0.69 -1.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 1q7l s VAL 86 Cb -0.14 -1.43 0.17 0.00 0.56 0.00 0.00 36.38 35.53 1q7l s VAL 86 CO 0.59 -0.57 0.53 -0.36 -0.31 0.00 0.00 175.10 174.97 1q7l s PHE 87 N -2.54 3.53 0.44 2.82 0.08 -1.26 -4.98 117.98 116.06 1q7l s PHE 87 Ca 0.07 -2.15 0.11 0.00 0.12 0.00 0.00 56.93 55.08 1q7l s PHE 87 Cb -0.02 -3.53 1.00 0.00 -0.57 0.00 0.00 43.02 39.89 1q7l s PHE 87 CO 0.00 -0.95 2.05 1.57 -0.10 0.00 0.00 175.22 177.80 1q7l h LYS 88 N 7.80 0.39 0.00 0.44 2.10 -1.98 -0.80 116.57 124.52 1q7l h LYS 88 Ca -0.05 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1q7l h LYS 88 Cb 1.03 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1q7l h LYS 88 CO 0.79 0.26 0.00 1.05 -2.00 0.00 0.00 179.45 179.55 1q7l h GLU 89 N 0.40 0.00 -0.02 0.07 9.09 -2.00 -1.86 114.58 120.26 1q7l h GLU 89 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.57 1q7l h GLU 89 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1q7l h GLU 89 CO -0.04 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.74 1q7l n HIS 90 N -2.54 0.00 -3.53 2.06 8.25 -0.31 -4.94 115.22 114.22 1q7l n HIS 90 Ca -0.00 -0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.13 1q7l n HIS 90 Cb 0.14 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 1q7l n HIS 90 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1q7l s TRP 91 N -2.00 3.47 -0.12 4.41 0.52 -0.70 -4.99 118.94 119.53 1q7l s TRP 91 Ca 0.36 0.75 0.14 0.00 0.02 0.00 0.00 56.10 57.37 1q7l s TRP 91 Cb 0.21 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.39 1q7l s TRP 91 CO 0.33 0.37 1.39 0.77 0.02 0.00 0.00 176.95 179.83 1q7l h SER 92 N 2.84 0.00 -5.00 2.95 0.02 -1.92 -3.46 113.55 108.98 1q7l h SER 92 Ca -0.47 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 1q7l h SER 92 Cb 1.17 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.51 1q7l h SER 92 CO 0.70 0.57 -0.55 -1.00 -1.14 0.00 0.00 176.83 175.40 1q7l s HIS 93 N -2.93 0.13 -0.08 3.45 3.76 -1.26 -5.11 115.29 113.25 1q7l s HIS 93 Ca 0.03 -0.32 -0.35 0.00 -0.15 0.00 0.00 55.06 54.27 1q7l s HIS 93 Cb 0.08 -0.11 -0.13 0.00 1.11 0.00 0.00 32.58 33.53 1q7l s HIS 93 CO 0.76 -0.28 1.80 -3.47 -0.85 0.00 0.00 174.74 172.70 1q7l n ASP 94 N 1.35 3.17 0.18 1.40 -0.08 -1.26 -4.83 116.55 116.48 1q7l n ASP 94 Ca -0.22 1.01 0.12 0.00 -1.51 0.00 0.00 54.79 54.19 1q7l n ASP 94 Cb 0.56 -1.33 0.64 0.00 2.34 0.00 0.00 41.12 43.32 1q7l n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1q7l h PRO 95 N 8.30 0.00 -0.31 -0.67 0.13 -1.93 -1.80 132.00 135.72 1q7l h PRO 95 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q7l h PRO 95 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1q7l h PRO 95 CO 0.94 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.90 1q7l n PHE 96 N -2.36 0.61 0.96 1.56 3.72 -1.26 -1.51 117.46 119.18 1q7l n PHE 96 Ca -0.01 -0.62 0.10 0.00 -0.05 0.00 0.00 57.45 56.87 1q7l n PHE 96 Cb 0.08 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 1q7l n PHE 96 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1q7l n GLU 97 N 0.17 0.84 -3.95 -1.08 -0.58 -0.68 -4.28 120.64 111.08 1q7l n GLU 97 Ca 0.14 -0.55 -0.28 0.00 -0.42 0.00 0.00 57.16 56.06 1q7l n GLU 97 Cb 0.57 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1q7l n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1q7l n ALA 98 N -0.67 -1.72 -1.69 0.62 0.00 -1.23 -4.91 120.51 110.91 1q7l n ALA 98 Ca 0.07 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1q7l n ALA 98 Cb 0.39 -2.56 -0.01 0.00 0.00 0.00 0.00 19.45 17.27 1q7l n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q7l n PHE 99 N -4.43 2.28 -4.03 0.00 -0.00 -1.23 -4.69 117.46 105.36 1q7l n PHE 99 Ca -0.16 0.49 -0.34 0.00 -0.00 0.00 0.00 57.45 57.44 1q7l n PHE 99 Cb 0.61 -2.44 -0.15 0.00 -0.00 0.00 0.00 39.48 37.50 1q7l n PHE 99 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1q7l s LYS 100 N -1.27 3.07 0.72 -4.13 2.20 -1.26 -0.89 119.74 118.19 1q7l s LYS 100 Ca 0.60 -0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1q7l s LYS 100 Cb -0.59 -2.77 0.16 0.00 -1.51 0.00 0.00 37.83 33.12 1q7l s LYS 100 CO 0.57 -0.24 0.98 -0.40 -0.36 0.00 0.00 175.35 175.90 1q7l n ASP 101 N 4.68 0.19 0.00 1.43 5.68 -0.11 -4.91 116.55 123.51 1q7l n ASP 101 Ca -0.19 -1.43 0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1q7l n ASP 101 Cb 0.50 -0.74 0.45 0.00 -1.14 0.00 0.00 41.12 40.19 1q7l n ASP 101 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1q7l n SER 102 N -3.56 0.00 -0.82 -1.12 3.41 -1.26 -1.44 113.62 108.82 1q7l n SER 102 Ca 0.13 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1q7l n SER 102 Cb 0.44 -0.45 0.12 0.00 -0.26 0.00 0.00 64.21 64.06 1q7l n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q7l n GLU 103 N -1.45 2.04 -0.39 4.33 1.02 -1.26 -4.96 120.64 119.96 1q7l n GLU 103 Ca 0.06 -1.65 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 1q7l n GLU 103 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1q7l n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q7l n GLY 104 N 1.35 0.76 3.74 0.62 0.00 -0.52 -5.06 105.19 106.07 1q7l n GLY 104 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1q7l n GLY 104 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q7l s TYR 105 N -2.35 3.69 -0.28 1.61 1.51 -1.26 -4.82 117.35 115.46 1q7l s TYR 105 Ca 0.00 1.39 -0.12 0.00 -1.01 0.00 0.00 57.07 57.34 1q7l s TYR 105 Cb 0.00 -2.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1q7l s TYR 105 CO 0.00 0.23 0.22 0.42 -1.11 0.00 0.00 175.55 175.31 1q7l s ILE 106 N 0.18 5.29 -0.21 2.71 1.01 -1.26 -0.94 121.20 127.98 1q7l s ILE 106 Ca 0.38 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.13 1q7l s ILE 106 Cb -0.20 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1q7l s ILE 106 CO 0.21 0.24 0.34 -0.31 0.00 0.00 0.00 174.94 175.42 1q7l s TYR 107 N 1.78 3.36 -0.21 3.97 1.51 -0.06 -4.93 117.35 122.77 1q7l s TYR 107 Ca 0.09 0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 56.38 1q7l s TYR 107 Cb -0.16 -2.47 0.14 0.00 -0.11 0.00 0.00 41.96 39.36 1q7l s TYR 107 CO 0.10 0.01 1.06 0.00 -1.11 0.00 0.00 175.55 175.61 1q7l s ALA 108 N 1.26 -1.97 -0.10 3.71 0.00 -1.26 -3.49 121.76 119.91 1q7l s ALA 108 Ca 0.16 1.69 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 1q7l s ALA 108 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1q7l s ALA 108 CO 0.07 -0.27 1.62 0.50 0.00 0.00 0.00 175.76 177.68 1q7l s ARG 109 N -0.74 4.10 0.00 0.00 6.06 -0.57 -1.76 118.95 126.05 1q7l s ARG 109 Ca 0.01 2.05 0.00 0.00 -2.50 0.00 0.00 55.73 55.29 1q7l s ARG 109 Cb -0.02 -3.98 0.00 0.00 0.06 0.00 0.00 34.95 31.01 1q7l s ARG 109 CO -0.02 -0.94 0.00 0.41 -2.50 0.00 0.00 175.30 172.25 1q7l n GLY 110 N 4.21 0.33 0.37 8.12 0.00 -1.26 -4.95 105.19 112.01 1q7l n GLY 110 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1q7l n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7l h ALA 111 N 0.00 1.33 0.01 4.61 0.00 -1.70 -1.22 119.26 122.29 1q7l h ALA 111 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.48 1q7l h ALA 111 Cb 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 1q7l h ALA 111 CO 0.00 0.61 -2.33 1.04 0.00 0.00 0.00 179.25 178.58 1q7l n GLN 112 N -4.40 0.68 -3.71 0.00 6.02 -1.26 -4.08 117.38 110.62 1q7l n GLN 112 Ca 0.12 0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.94 1q7l n GLN 112 Cb 0.04 -1.57 -0.13 0.00 1.02 0.00 0.00 30.24 29.61 1q7l n GLN 112 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1q7l s ASP 113 N -6.18 3.62 -0.07 1.08 2.15 -1.20 -4.63 116.67 111.44 1q7l s ASP 113 Ca -0.22 -2.75 0.19 0.00 0.43 0.00 0.00 52.55 50.20 1q7l s ASP 113 Cb 0.08 -1.06 0.35 0.00 -0.30 0.00 0.00 42.92 41.99 1q7l s ASP 113 CO 0.72 -0.25 1.15 1.15 -0.17 0.00 0.00 175.17 177.77 1q7l n MET 114 N 3.37 0.38 0.22 4.34 0.00 -1.24 -4.14 117.12 120.05 1q7l n MET 114 Ca 0.11 -2.00 0.06 0.00 0.00 0.00 0.00 57.70 55.87 1q7l n MET 114 Cb 0.35 -0.14 0.50 0.00 0.00 0.00 0.00 33.22 33.93 1q7l n MET 114 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1q7l h LYS 115 N 1.07 0.00 -0.61 3.17 1.57 -1.48 -1.55 116.57 118.74 1q7l h LYS 115 Ca -0.30 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1q7l h LYS 115 Cb 1.66 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.87 1q7l h LYS 115 CO 0.02 0.24 0.08 0.00 -0.57 0.00 0.00 179.45 179.22 1q7l h VAL 117 N 0.20 1.27 -0.67 0.00 2.07 -1.62 0.41 116.25 117.92 1q7l h VAL 117 Ca 0.32 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1q7l h VAL 117 Cb 0.51 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1q7l h VAL 117 CO -0.46 0.47 0.42 0.28 0.02 0.00 0.00 177.57 178.31 1q7l h SER 118 N 0.81 0.79 0.55 0.57 0.02 -1.42 0.01 113.55 114.87 1q7l h SER 118 Ca 0.10 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1q7l h SER 118 Cb 0.80 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1q7l h SER 118 CO 0.07 0.59 -0.68 0.40 -1.14 0.00 0.00 176.83 176.07 1q7l h ILE 119 N 0.91 1.45 -0.55 3.27 1.08 -1.20 -2.47 117.51 119.99 1q7l h ILE 119 Ca 0.24 -2.24 -0.00 0.00 -0.39 0.00 0.00 64.86 62.48 1q7l h ILE 119 Cb -0.07 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1q7l h ILE 119 CO -0.05 0.65 0.34 1.56 -0.69 0.00 0.00 178.15 179.96 1q7l h GLN 120 N 0.08 0.75 -0.34 2.37 4.20 -0.30 0.59 115.11 122.46 1q7l h GLN 120 Ca -0.01 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1q7l h GLN 120 Cb 1.21 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1q7l h GLN 120 CO 0.10 0.53 0.17 1.88 -0.67 0.00 0.00 178.83 180.84 1q7l h TYR 121 N 0.75 0.31 -0.51 2.96 0.05 -0.89 -0.67 116.97 118.97 1q7l h TYR 121 Ca 0.20 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 1q7l h TYR 121 Cb -0.03 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1q7l h TYR 121 CO -0.03 0.17 0.16 -0.07 -1.05 0.00 0.00 178.16 177.34 1q7l h LEU 122 N 0.35 0.75 -0.56 3.88 3.38 -1.08 -0.58 115.31 121.45 1q7l h LEU 122 Ca 0.14 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1q7l h LEU 122 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1q7l h LEU 122 CO -0.10 0.76 -0.64 -0.33 0.09 0.00 0.00 178.44 178.22 1q7l h GLU 123 N 0.70 0.31 -0.34 1.13 4.39 -0.84 -0.03 114.58 119.89 1q7l h GLU 123 Ca 0.16 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1q7l h GLU 123 Cb 0.28 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1q7l h GLU 123 CO -0.00 0.85 -0.07 0.00 -1.16 0.00 0.00 179.01 178.62 1q7l h ALA 124 N 1.10 0.47 -0.53 3.43 0.00 -0.84 -0.57 119.26 122.32 1q7l h ALA 124 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1q7l h ALA 124 Cb 1.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1q7l h ALA 124 CO 0.10 0.30 0.19 0.28 0.00 0.00 0.00 179.25 180.13 1q7l h VAL 125 N 0.44 1.22 -0.34 0.00 2.07 -1.04 -0.53 116.25 118.08 1q7l h VAL 125 Ca 0.09 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1q7l h VAL 125 Cb 0.57 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1q7l h VAL 125 CO 0.03 0.27 0.09 -0.09 0.02 0.00 0.00 177.57 177.89 1q7l h ARG 126 N 0.72 0.21 -0.44 1.57 2.43 -0.81 0.53 114.38 118.59 1q7l h ARG 126 Ca 0.17 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1q7l h ARG 126 Cb 0.23 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1q7l h ARG 126 CO -0.01 0.14 0.08 0.00 -1.51 0.00 0.00 179.97 178.67 1q7l h ARG 127 N 0.22 0.72 -0.55 0.20 3.08 -0.83 -0.87 114.38 116.34 1q7l h ARG 127 Ca 0.16 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1q7l h ARG 127 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1q7l h ARG 127 CO -0.19 0.74 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.37 1q7l h LEU 128 N 0.58 0.94 -0.27 3.04 3.38 -0.84 -1.79 115.31 120.34 1q7l h LEU 128 Ca 0.13 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1q7l h LEU 128 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1q7l h LEU 128 CO 0.01 1.00 -0.29 0.50 0.09 0.00 0.00 178.44 179.74 1q7l h LYS 129 N 0.88 0.68 0.00 1.13 3.64 -0.72 -2.49 116.57 119.69 1q7l h LYS 129 Ca 0.16 -0.37 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1q7l h LYS 129 Cb 0.53 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1q7l h LYS 129 CO 0.03 0.98 -0.25 -0.39 -2.27 0.00 0.00 179.45 177.54 1q7l h VAL 130 N 0.41 0.95 -0.07 2.00 -1.51 -1.08 -1.61 116.25 115.34 1q7l h VAL 130 Ca 0.04 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.56 1q7l h VAL 130 Cb 0.87 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1q7l h VAL 130 CO 0.07 0.25 0.00 -0.62 -1.23 0.00 0.00 177.57 176.04 1q7l n GLU 131 N -3.89 1.20 -0.37 5.19 1.02 -0.68 -4.91 120.64 118.19 1q7l n GLU 131 Ca -0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 1q7l n GLU 131 Cb 0.34 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1q7l n GLU 131 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q7l n GLY 132 N 0.76 0.71 3.77 0.62 0.00 -0.61 -5.03 105.19 105.41 1q7l n GLY 132 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1q7l n GLY 132 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q7l s HIS 133 N -2.76 2.92 -0.22 1.61 3.76 -0.96 -5.02 115.29 114.63 1q7l s HIS 133 Ca 0.00 1.52 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 1q7l s HIS 133 Cb 0.00 -3.44 0.07 0.00 1.11 0.00 0.00 32.58 30.33 1q7l s HIS 133 CO 0.00 -1.56 0.09 1.03 -0.85 0.00 0.00 174.74 173.46 1q7l s ARG 134 N -2.49 0.24 0.41 1.40 1.81 -1.26 -4.69 118.95 114.37 1q7l s ARG 134 Ca 0.60 -0.33 -0.03 0.00 -1.72 0.00 0.00 55.73 54.26 1q7l s ARG 134 Cb -0.31 -1.71 -0.04 0.00 -0.45 0.00 0.00 34.95 32.45 1q7l s ARG 134 CO 0.38 -0.78 0.67 -0.06 -0.68 0.00 0.00 175.30 174.84 1q7l s PHE 135 N 2.05 3.53 0.19 -0.53 0.08 -1.26 -4.82 117.98 117.21 1q7l s PHE 135 Ca 0.04 0.62 -0.13 0.00 0.12 0.00 0.00 56.93 57.58 1q7l s PHE 135 Cb -0.16 -2.13 0.10 0.00 -0.57 0.00 0.00 43.02 40.26 1q7l s PHE 135 CO -0.17 -0.08 1.84 -1.35 -0.10 0.00 0.00 175.22 175.36 1q7l h PRO 136 N 0.58 0.82 -6.00 0.24 0.11 -1.94 0.28 132.00 126.09 1q7l h PRO 136 Ca -0.48 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 64.96 1q7l h PRO 136 Cb 1.21 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1q7l h PRO 136 CO 0.62 0.56 -0.20 1.03 -0.21 0.00 0.00 178.00 179.80 1q7l s ARG 137 N -6.08 3.94 0.39 1.05 0.52 -1.26 -1.21 118.95 116.30 1q7l s ARG 137 Ca -0.13 0.42 -0.27 0.00 -0.52 0.00 0.00 55.73 55.23 1q7l s ARG 137 Cb 0.13 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.28 1q7l s ARG 137 CO 0.76 0.67 1.36 0.99 0.02 0.00 0.00 175.30 179.10 1q7l s THR 138 N -1.00 2.44 -0.13 0.02 2.01 -1.26 -4.18 115.64 113.53 1q7l s THR 138 Ca 0.24 0.41 -0.02 0.00 0.31 0.00 0.00 61.69 62.63 1q7l s THR 138 Cb -0.17 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.07 1q7l s THR 138 CO 0.13 0.08 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.45 1q7l s ILE 139 N -1.19 3.67 -0.11 1.82 1.01 -0.80 -0.65 121.20 124.95 1q7l s ILE 139 Ca 0.55 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1q7l s ILE 139 Cb -0.41 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 1q7l s ILE 139 CO 0.54 0.52 -0.20 -1.00 0.00 0.00 0.00 174.94 174.80 1q7l s HIS 140 N 0.14 2.65 -0.25 3.97 3.76 0.14 -0.79 115.29 124.91 1q7l s HIS 140 Ca -0.03 -0.88 -0.09 0.00 -0.15 0.00 0.00 55.06 53.92 1q7l s HIS 140 Cb -0.14 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1q7l s HIS 140 CO 0.03 -0.33 0.11 -1.64 -0.85 0.00 0.00 174.74 172.07 1q7l s MET 141 N 0.32 3.81 -0.19 1.40 -1.94 0.81 -0.43 119.30 123.09 1q7l s MET 141 Ca -0.15 -0.40 -0.05 0.00 -1.71 0.00 0.00 55.69 53.38 1q7l s MET 141 Cb -0.17 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1q7l s MET 141 CO 0.08 -0.12 0.01 0.99 -0.01 0.00 0.00 175.02 175.97 1q7l s THR 142 N 1.49 4.08 -0.29 2.05 2.01 -0.67 -0.36 115.64 123.95 1q7l s THR 142 Ca 0.06 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1q7l s THR 142 Cb -0.15 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.57 1q7l s THR 142 CO 0.06 0.44 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.04 1q7l s PHE 143 N 0.85 3.23 0.01 4.92 0.08 0.63 -1.64 117.98 126.06 1q7l s PHE 143 Ca 0.01 -1.87 0.01 0.00 0.12 0.00 0.00 56.93 55.20 1q7l s PHE 143 Cb -0.14 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1q7l s PHE 143 CO 0.02 -0.80 0.03 0.14 -0.10 0.00 0.00 175.22 174.51 1q7l s VAL 144 N 1.25 4.35 0.85 -0.44 -7.23 -0.35 -1.77 120.40 117.07 1q7l s VAL 144 Ca -0.05 -0.57 -0.13 0.00 -1.81 0.00 0.00 61.98 59.43 1q7l s VAL 144 Cb -0.19 -2.97 0.11 0.00 0.56 0.00 0.00 36.38 33.89 1q7l s VAL 144 CO -0.02 0.34 1.22 -2.16 -0.31 0.00 0.00 175.10 174.17 1q7l s PRO 145 N -1.69 1.61 0.00 4.82 0.04 -1.26 -0.68 135.00 137.84 1q7l s PRO 145 Ca 0.21 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1q7l s PRO 145 Cb -0.12 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1q7l s PRO 145 CO 0.12 -1.81 0.00 -3.47 0.04 0.00 0.00 177.00 171.88 1q7l n ASP 146 N -3.43 -1.57 0.14 6.66 2.03 -1.26 -4.30 116.55 114.82 1q7l n ASP 146 Ca 0.10 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.42 1q7l n ASP 146 Cb 0.61 -0.34 0.35 0.00 -0.72 0.00 0.00 41.12 41.02 1q7l n ASP 146 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1q7l h GLU 147 N 1.93 0.16 0.00 -0.67 4.22 -1.92 -0.56 114.58 117.74 1q7l h GLU 147 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1q7l h GLU 147 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1q7l h GLU 147 CO 0.00 0.42 0.00 0.39 -2.18 0.00 0.00 179.01 177.64 1q7l n GLU 148 N -4.17 0.46 -0.14 1.92 -0.58 -1.26 -1.83 120.64 115.03 1q7l n GLU 148 Ca -0.01 0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.80 1q7l n GLU 148 Cb 0.35 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.85 1q7l n GLU 148 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1q7l n VAL 149 N -1.25 0.92 0.00 2.62 0.24 -1.03 -4.97 118.33 114.86 1q7l n VAL 149 Ca 0.14 -0.96 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1q7l n VAL 149 Cb 0.21 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1q7l n VAL 149 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q7l n GLY 150 N 0.40 0.84 2.11 7.63 0.00 -0.76 -4.68 105.19 110.73 1q7l n GLY 150 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1q7l n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q7l n GLY 151 N -0.83 0.49 0.23 -0.02 0.00 -0.25 -4.85 105.19 99.96 1q7l n GLY 151 Ca 0.00 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.83 1q7l n GLY 151 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1q7l h HIS 152 N 0.00 0.00 -0.09 1.61 3.86 -1.83 -1.11 115.15 117.59 1q7l h HIS 152 Ca -0.02 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1q7l h HIS 152 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1q7l h HIS 152 CO 0.08 0.00 -0.21 1.04 0.86 0.00 0.00 177.93 179.70 1q7l n GLN 153 N -2.84 1.68 0.00 2.45 6.02 -1.26 -4.46 117.38 118.97 1q7l n GLN 153 Ca 0.01 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 53.99 1q7l n GLN 153 Cb 0.31 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1q7l n GLN 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q7l n GLY 154 N -1.16 2.93 0.32 1.08 0.00 -0.55 -4.67 105.19 103.15 1q7l n GLY 154 Ca 0.21 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1q7l n GLY 154 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1q7l h MET 155 N 0.00 0.75 -0.82 1.61 1.85 -1.73 -0.32 114.93 116.26 1q7l h MET 155 Ca 0.00 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1q7l h MET 155 Cb 0.00 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 31.83 1q7l h MET 155 CO 0.00 0.51 0.50 1.49 -0.40 0.00 0.00 176.91 179.01 1q7l h GLU 156 N 0.76 1.11 -0.07 0.39 4.81 -1.56 -1.78 114.58 118.24 1q7l h GLU 156 Ca 0.20 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1q7l h GLU 156 Cb -0.05 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 29.10 1q7l h GLU 156 CO -0.04 0.77 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.43 1q7l h LEU 157 N 1.13 0.57 -1.30 1.64 3.38 -1.59 -3.34 115.31 115.80 1q7l h LEU 157 Ca 0.30 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1q7l h LEU 157 Cb -0.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1q7l h LEU 157 CO -0.06 1.16 0.48 0.15 0.09 0.00 0.00 178.44 180.26 1q7l h PHE 158 N 0.02 0.90 0.00 1.13 3.57 -0.51 -1.30 116.94 120.75 1q7l h PHE 158 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1q7l h PHE 158 Cb 1.18 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1q7l h PHE 158 CO 0.12 0.56 0.00 1.33 -2.23 0.00 0.00 178.31 178.09 1q7l n VAL 159 N -4.43 0.73 1.11 1.41 0.24 -0.72 -1.38 118.33 115.29 1q7l n VAL 159 Ca 0.08 0.18 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 1q7l n VAL 159 Cb 0.05 -0.88 0.16 0.00 -1.47 0.00 0.00 33.84 31.70 1q7l n VAL 159 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q7l n GLN 160 N -1.46 1.45 -2.98 7.34 6.02 -0.49 -4.80 117.38 122.46 1q7l n GLN 160 Ca 0.05 -1.11 -0.34 0.00 -0.01 0.00 0.00 57.00 55.59 1q7l n GLN 160 Cb 0.19 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 1q7l n GLN 160 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1q7l s ARG 161 N -2.31 4.22 0.40 -1.09 1.81 -0.48 -4.98 118.95 116.52 1q7l s ARG 161 Ca 0.24 0.95 0.08 0.00 -1.72 0.00 0.00 55.73 55.28 1q7l s ARG 161 Cb 0.19 -2.51 0.86 0.00 -0.45 0.00 0.00 34.95 33.03 1q7l s ARG 161 CO 0.47 0.17 2.00 -1.35 -0.68 0.00 0.00 175.30 175.92 1q7l h PRO 162 N 2.55 0.58 0.00 3.54 0.11 -1.94 -2.13 132.00 134.71 1q7l h PRO 162 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1q7l h PRO 162 Cb 1.18 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1q7l h PRO 162 CO 0.64 0.38 -0.31 0.93 -0.21 0.00 0.00 178.00 179.43 1q7l h GLU 163 N 0.59 0.00 -0.03 1.05 3.07 -1.93 0.43 114.58 117.76 1q7l h GLU 163 Ca 0.24 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1q7l h GLU 163 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1q7l h GLU 163 CO -0.07 0.31 -0.07 0.35 -1.40 0.00 0.00 179.01 178.14 1q7l h PHE 164 N 0.00 0.13 -0.99 4.33 3.57 -1.60 -3.16 116.94 119.23 1q7l h PHE 164 Ca -0.00 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.58 1q7l h PHE 164 Cb 0.56 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.19 1q7l h PHE 164 CO 0.00 0.65 0.62 1.25 -2.23 0.00 0.00 178.31 178.61 1q7l h HIS 165 N -0.43 1.09 0.00 0.41 2.76 -1.08 -1.39 115.15 116.52 1q7l h HIS 165 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1q7l h HIS 165 Cb 0.64 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1q7l h HIS 165 CO 0.12 0.40 0.00 0.00 -1.30 0.00 0.00 177.93 177.15 1q7l h ALA 166 N 1.56 1.00 0.00 5.26 0.00 -0.89 -1.90 119.26 124.30 1q7l h ALA 166 Ca 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1q7l h ALA 166 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1q7l h ALA 166 CO -0.28 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 178.84 1q7l h LEU 167 N 0.00 0.00 -1.53 0.00 3.38 -1.23 -3.47 115.31 112.46 1q7l h LEU 167 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1q7l h LEU 167 Cb 0.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.00 1q7l h LEU 167 CO 0.00 0.06 -0.81 0.54 0.09 0.00 0.00 178.44 178.32 1q7l n ARG 168 N -3.20 -5.14 -1.68 1.13 1.74 -0.71 -4.23 116.66 104.57 1q7l n ARG 168 Ca 0.00 0.61 -0.45 0.00 -0.77 0.00 0.00 57.85 57.24 1q7l n ARG 168 Cb 0.31 -5.27 -0.03 0.00 -1.02 0.00 0.00 32.46 26.44 1q7l n ARG 168 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q7l n ALA 169 N -4.41 1.43 -0.10 7.54 0.00 -1.26 -0.89 120.51 122.81 1q7l n ALA 169 Ca -0.20 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 53.56 1q7l n ALA 169 Cb 0.63 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.59 1q7l n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7l n GLY 170 N 2.96 -0.85 3.59 0.00 0.00 0.11 -4.71 105.19 106.29 1q7l n GLY 170 Ca 0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1q7l n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q7l s PHE 171 N -2.48 -0.58 0.04 1.61 5.36 -1.13 -5.00 117.98 115.79 1q7l s PHE 171 Ca -0.14 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.10 1q7l s PHE 171 Cb 0.06 0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 43.09 1q7l s PHE 171 CO 0.76 -0.39 -0.12 0.00 -1.46 0.00 0.00 175.22 174.01 1q7l s ALA 172 N -0.41 0.99 0.06 11.12 0.00 -1.26 -0.37 121.76 131.89 1q7l s ALA 172 Ca -0.03 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1q7l s ALA 172 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1q7l s ALA 172 CO 0.02 0.16 -0.02 -0.51 0.00 0.00 0.00 175.76 175.41 1q7l s LEU 173 N -1.16 3.39 0.00 0.00 1.43 -0.25 -4.97 118.68 117.12 1q7l s LEU 173 Ca -0.01 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1q7l s LEU 173 Cb -0.08 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1q7l s LEU 173 CO 0.01 0.21 0.00 -0.67 0.23 0.00 0.00 176.35 176.13 1q7l n ASP 174 N 0.88 0.00 -4.75 2.29 -0.08 -1.26 -0.53 116.55 113.09 1q7l n ASP 174 Ca -0.12 -0.72 -0.36 0.00 -1.51 0.00 0.00 54.79 52.07 1q7l n ASP 174 Cb 0.52 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.01 1q7l n ASP 174 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1q7l s GLU 175 N -1.17 3.05 0.00 -0.67 -1.05 -1.26 -5.01 118.70 112.59 1q7l s GLU 175 Ca 0.00 1.87 0.00 0.00 -0.15 0.00 0.00 54.97 56.69 1q7l s GLU 175 Cb 0.00 -2.00 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 1q7l s GLU 175 CO 0.00 -1.16 0.00 0.41 0.95 0.00 0.00 175.26 175.46 1q7l n GLY 176 N 0.54 1.04 3.48 -3.83 0.00 -1.26 -4.92 105.19 100.24 1q7l n GLY 176 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1q7l n GLY 176 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q7l s ILE 177 N 3.62 0.00 0.68 -0.61 2.07 -1.26 -5.09 121.20 120.61 1q7l s ILE 177 Ca 0.00 -0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.05 1q7l s ILE 177 Cb 0.00 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.61 1q7l s ILE 177 CO 0.00 -0.01 1.25 0.00 -1.91 0.00 0.00 174.94 174.27 1q7l s ALA 178 N -1.99 2.28 -0.08 1.50 0.00 -1.26 -4.54 121.76 117.67 1q7l s ALA 178 Ca -0.07 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1q7l s ALA 178 Cb -0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1q7l s ALA 178 CO 0.03 -1.68 -0.11 1.21 0.00 0.00 0.00 175.76 175.20 1q7l s ASN 179 N -1.67 1.91 0.11 0.00 3.84 -1.26 -4.92 114.94 112.95 1q7l s ASN 179 Ca 0.79 -0.31 0.25 0.00 0.21 0.00 0.00 52.86 53.80 1q7l s ASN 179 Cb -0.33 -0.84 0.96 0.00 -0.55 0.00 0.00 41.25 40.48 1q7l s ASN 179 CO 0.41 -0.01 1.77 -0.81 -2.79 0.00 0.00 177.10 175.68 1q7l n PRO 180 N 4.12 0.12 -0.81 0.43 -0.04 -1.26 -4.83 135.00 132.73 1q7l n PRO 180 Ca -0.20 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1q7l n PRO 180 Cb 0.51 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1q7l n PRO 180 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1q7l n THR 181 N -1.87 0.00 0.30 0.52 -2.24 -1.26 -4.98 114.28 104.74 1q7l n THR 181 Ca 0.05 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.99 1q7l n THR 181 Cb 0.32 -1.18 0.56 0.00 -2.10 0.00 0.00 70.33 67.94 1q7l n THR 181 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1q7l h ASP 182 N 0.00 0.00 -4.46 3.42 3.32 -2.07 -3.45 116.42 113.18 1q7l h ASP 182 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1q7l h ASP 182 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1q7l h ASP 182 CO 0.00 0.00 0.39 0.00 -1.72 0.00 0.00 179.24 177.91 1q7l s ALA 183 N -3.52 2.65 -0.06 3.45 0.00 -1.26 -5.08 121.76 117.93 1q7l s ALA 183 Ca 0.03 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1q7l s ALA 183 Cb 0.08 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1q7l s ALA 183 CO 0.55 -1.45 -0.19 -0.06 0.00 0.00 0.00 175.76 174.61 1q7l s PHE 184 N -3.37 2.59 0.20 0.00 0.08 -1.26 -4.69 117.98 111.52 1q7l s PHE 184 Ca 0.60 -0.46 -0.24 0.00 0.12 0.00 0.00 56.93 56.95 1q7l s PHE 184 Cb -0.12 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.61 1q7l s PHE 184 CO 0.52 -0.04 0.78 0.99 -0.10 0.00 0.00 175.22 177.36 1q7l s THR 185 N -0.35 4.41 -0.04 0.64 2.01 -1.26 -5.07 115.64 115.98 1q7l s THR 185 Ca 0.03 1.59 0.01 0.00 0.31 0.00 0.00 61.69 63.63 1q7l s THR 185 Cb -0.12 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1q7l s THR 185 CO 0.02 0.39 -0.03 0.54 -0.69 0.00 0.00 174.62 174.85 1q7l s VAL 186 N -1.31 0.44 -0.27 3.82 0.11 -1.26 -4.70 120.40 117.23 1q7l s VAL 186 Ca 0.39 -0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 1q7l s VAL 186 Cb -0.21 -0.47 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1q7l s VAL 186 CO 0.24 0.19 0.80 -0.36 -3.33 0.00 0.00 175.10 172.65 1q7l s PHE 187 N 0.83 3.26 -0.09 1.54 0.08 -1.26 -5.03 117.98 117.31 1q7l s PHE 187 Ca -0.10 0.98 0.00 0.00 0.12 0.00 0.00 56.93 57.92 1q7l s PHE 187 Cb -0.13 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1q7l s PHE 187 CO -0.00 -0.47 -0.08 -0.47 -0.10 0.00 0.00 175.22 174.10 1q7l s TYR 188 N 2.87 2.91 -0.14 0.36 6.14 -1.26 -5.10 117.35 123.13 1q7l s TYR 188 Ca 0.33 -0.13 -0.09 0.00 0.64 0.00 0.00 57.07 57.82 1q7l s TYR 188 Cb -0.15 -1.76 0.05 0.00 0.42 0.00 0.00 41.96 40.52 1q7l s TYR 188 CO 0.10 0.19 0.35 0.45 0.64 0.00 0.00 175.55 177.27 1q7l s SER 189 N -0.45 -0.41 0.37 4.32 0.15 -1.26 -5.11 113.70 111.31 1q7l s SER 189 Ca 0.06 0.75 0.04 0.00 0.70 0.00 0.00 55.95 57.51 1q7l s SER 189 Cb -0.12 0.66 -0.06 0.00 -1.71 0.00 0.00 66.02 64.79 1q7l s SER 189 CO 0.02 -0.17 0.05 -1.83 1.20 0.00 0.00 173.24 172.51 1q7l s GLU 190 N 1.04 1.80 4.36 5.44 -1.05 -1.26 -5.07 118.70 123.96 1q7l s GLU 190 Ca -0.07 -2.03 0.00 0.00 -0.15 0.00 0.00 54.97 52.72 1q7l s GLU 190 Cb -0.07 -1.08 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 1q7l s GLU 190 CO -0.08 -0.20 0.00 0.54 0.95 0.00 0.00 175.26 176.47 1q7l n ARG 191 N -0.82 0.00 -3.06 -4.83 1.74 -1.26 -4.19 116.66 104.23 1q7l n ARG 191 Ca -0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.64 1q7l n ARG 191 Cb 0.67 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.05 1q7l n ARG 191 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q7l s SER 192 N -4.00 7.22 0.67 0.55 1.04 -1.26 -5.05 113.70 112.88 1q7l s SER 192 Ca 0.00 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 57.73 1q7l s SER 192 Cb 0.00 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.68 1q7l s SER 192 CO 0.00 0.15 1.15 -2.16 0.98 0.00 0.00 173.24 173.36 1q7l s PRO 193 N -0.69 2.59 0.51 4.02 0.04 -1.26 -4.86 135.00 135.35 1q7l s PRO 193 Ca 0.35 1.57 0.18 0.00 0.04 0.00 0.00 61.00 63.14 1q7l s PRO 193 Cb -0.21 -1.91 1.31 0.00 0.04 0.00 0.00 34.50 33.73 1q7l s PRO 193 CO 0.23 -1.44 2.13 0.11 0.04 0.00 0.00 177.00 178.06 1q7l h TRP 194 N 0.03 0.00 -0.01 0.56 5.08 -1.97 -1.92 115.95 117.73 1q7l h TRP 194 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1q7l h TRP 194 Cb 1.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.43 1q7l h TRP 194 CO 0.51 0.05 0.00 -2.67 -1.28 0.00 0.00 178.44 175.05 1q7l n TRP 195 N -4.33 0.01 0.27 0.12 2.14 -1.26 -2.82 117.44 111.57 1q7l n TRP 195 Ca -0.03 -0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.56 1q7l n TRP 195 Cb 0.13 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 1q7l n TRP 195 CO 0.00 0.00 0.00 1.33 2.07 0.00 0.00 177.69 181.09 1q7l n VAL 196 N -0.80 0.00 0.10 -1.67 0.24 -0.73 -5.28 118.33 110.20 1q7l n VAL 196 Ca 0.18 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 62.12 1q7l n VAL 196 Cb 0.10 1.00 0.05 0.00 -1.47 0.00 0.00 33.84 33.52 1q7l n VAL 196 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23