#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l s ASP 22 N 0.00 -0.34 -0.20 0.00 2.15 -1.26 -5.15 116.67 111.87 1s6l s ASP 22 Ca 0.00 0.11 -0.15 0.00 0.43 0.00 0.00 52.55 52.94 1s6l s ASP 22 Cb 0.00 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 1s6l s ASP 22 CO 0.00 -0.51 0.36 -0.76 -0.17 0.00 0.00 175.17 174.10 1s6l s LEU 23 N -2.08 4.16 -0.14 -1.34 1.43 -1.26 -4.99 118.68 114.46 1s6l s LEU 23 Ca 0.04 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1s6l s LEU 23 Cb -0.01 -2.46 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 1s6l s LEU 23 CO -0.06 -0.04 0.10 0.25 0.23 0.00 0.00 176.35 176.83 1s6l h LEU 24 N 7.51 0.00 -5.15 1.79 6.46 -2.04 -3.46 115.31 120.43 1s6l h LEU 24 Ca -0.37 -0.25 -0.17 0.00 -0.12 0.00 0.00 57.88 56.97 1s6l h LEU 24 Cb 1.16 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.92 1s6l h LEU 24 CO 0.71 0.83 -0.52 0.68 -0.62 0.00 0.00 178.44 179.53 1s6l s VAL 25 N -2.02 -0.92 0.61 1.05 -7.23 -1.26 -5.00 120.40 105.62 1s6l s VAL 25 Ca -0.13 -1.03 0.28 0.00 -1.81 0.00 0.00 61.98 59.30 1s6l s VAL 25 Cb 0.01 -0.07 0.36 0.00 0.56 0.00 0.00 36.38 37.24 1s6l s VAL 25 CO 0.28 -0.07 1.87 -0.65 -0.31 0.00 0.00 175.10 176.22 1s6l h PRO 26 N 5.17 0.00 0.38 4.82 0.11 -1.99 -2.35 132.00 138.15 1s6l h PRO 26 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1s6l h PRO 26 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1s6l h PRO 26 CO 0.04 0.00 -0.38 1.37 -0.21 0.00 0.00 178.00 178.81 1s6l h LEU 27 N 0.00 -1.04 -0.85 2.35 -0.00 -1.98 0.73 115.31 114.51 1s6l h LEU 27 Ca 0.17 0.09 -0.10 0.00 -0.00 0.00 0.00 57.88 58.04 1s6l h LEU 27 Cb 1.13 0.35 -0.01 0.00 -0.00 0.00 0.00 40.66 42.12 1s6l h LEU 27 CO -0.00 -0.53 -0.46 -0.07 -0.00 0.00 0.00 178.44 177.38 1s6l h LEU 28 N -0.79 0.00 0.26 0.17 4.07 -1.85 -0.88 115.31 116.29 1s6l h LEU 28 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1s6l h LEU 28 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1s6l h LEU 28 CO -0.06 0.46 -0.13 0.03 -1.08 0.00 0.00 178.44 177.66 1s6l h ARG 29 N 0.00 -0.34 0.00 1.13 2.47 -1.18 0.37 114.38 116.83 1s6l h ARG 29 Ca -0.00 0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1s6l h ARG 29 Cb 0.98 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 1s6l h ARG 29 CO 0.06 -0.08 -0.27 0.93 0.56 0.00 0.00 179.97 181.17 1s6l h GLU 30 N -0.57 0.00 -0.51 0.04 3.07 -0.88 -2.95 114.58 112.78 1s6l h GLU 30 Ca -0.04 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 1s6l h GLU 30 Cb 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1s6l h GLU 30 CO 0.06 0.27 -0.15 1.25 -1.40 0.00 0.00 179.01 179.05 1s6l h LEU 31 N 0.00 1.02 -1.99 1.33 5.85 -0.78 -2.78 115.31 117.95 1s6l h LEU 31 Ca -0.00 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1s6l h LEU 31 Cb 0.76 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1s6l h LEU 31 CO 0.04 1.15 0.42 0.00 -0.34 0.00 0.00 178.44 179.70 1s6l h ALA 32 N 0.90 2.02 0.00 1.25 0.00 -0.74 0.84 119.26 123.53 1s6l h ALA 32 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1s6l h ALA 32 Cb 0.72 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1s6l h ALA 32 CO 0.06 -0.60 -0.01 1.57 0.00 0.00 0.00 179.25 180.27 1s6l h LYS 33 N 0.00 0.00 -5.08 0.00 2.10 -1.61 -3.47 116.57 108.50 1s6l h LYS 33 Ca 0.17 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.53 1s6l h LYS 33 Cb 1.00 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.47 1s6l h LYS 33 CO -0.00 0.01 -0.63 0.41 -2.00 0.00 0.00 179.45 177.24 1s6l n GLY 34 N 0.05 -0.25 3.20 0.07 0.00 0.29 -5.02 105.19 103.53 1s6l n GLY 34 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -5.37 0.92 -0.88 1.61 0.52 -1.26 -5.08 118.95 109.41 1s6l s ARG 35 Ca 0.11 -1.31 -0.25 0.00 -0.52 0.00 0.00 55.73 53.76 1s6l s ARG 35 Cb -0.05 -0.48 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 1s6l s ARG 35 CO 0.62 0.05 1.84 -1.25 0.02 0.00 0.00 175.30 176.58 1s6l s PRO 36 N -3.42 2.75 -0.35 3.54 0.04 -1.26 -4.89 135.00 131.40 1s6l s PRO 36 Ca 0.11 -0.30 -0.19 0.00 0.04 0.00 0.00 61.00 60.67 1s6l s PRO 36 Cb 0.01 -4.99 -0.00 0.00 0.04 0.00 0.00 34.50 29.56 1s6l s PRO 36 CO -0.01 -3.07 0.54 0.08 0.04 0.00 0.00 177.00 174.58 1s6l s VAL 37 N 9.01 4.99 1.02 -0.36 1.01 -1.26 -4.96 120.40 129.85 1s6l s VAL 37 Ca 0.65 0.41 -0.17 0.00 0.00 0.00 0.00 61.98 62.86 1s6l s VAL 37 Cb -0.06 -3.99 0.24 0.00 0.00 0.00 0.00 36.38 32.57 1s6l s VAL 37 CO 0.01 -0.24 1.25 -1.54 0.00 0.00 0.00 175.10 174.58 1s6l n SER 38 N 5.81 -0.45 0.08 3.32 3.41 -1.26 -2.55 113.62 121.99 1s6l n SER 38 Ca -0.04 -1.39 -0.10 0.00 -0.26 0.00 0.00 58.87 57.08 1s6l n SER 38 Cb 0.49 -1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.37 1s6l n SER 38 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1s6l h ARG 39 N 0.00 0.16 -0.04 4.33 0.11 -1.97 -1.25 114.38 115.72 1s6l h ARG 39 Ca -0.42 -0.22 -0.09 0.00 0.10 0.00 0.00 59.98 59.35 1s6l h ARG 39 Cb 1.18 0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 1s6l h ARG 39 CO 0.29 1.03 -0.40 1.79 0.10 0.00 0.00 179.97 182.78 1s6l h THR 40 N 0.07 1.30 0.17 0.08 1.35 -1.96 1.28 112.91 115.20 1s6l h THR 40 Ca -0.06 -1.43 -0.33 0.00 -0.55 0.00 0.00 66.41 64.04 1s6l h THR 40 Cb 1.70 1.72 0.01 0.00 -1.73 0.00 0.00 68.15 69.85 1s6l h THR 40 CO 0.15 0.41 -1.64 0.74 -0.25 0.00 0.00 175.52 174.93 1s6l h THR 41 N 0.07 1.06 -0.67 6.82 2.02 -1.94 1.39 112.91 121.66 1s6l h THR 41 Ca 0.00 -2.63 -0.04 0.00 0.77 0.00 0.00 66.41 64.51 1s6l h THR 41 Cb 0.74 2.80 -0.03 0.00 -1.74 0.00 0.00 68.15 69.92 1s6l h THR 41 CO 0.06 0.84 0.27 0.25 0.37 0.00 0.00 175.52 177.31 1s6l h LEU 42 N 0.10 0.92 -0.28 2.58 5.85 -1.02 1.94 115.31 125.41 1s6l h LEU 42 Ca -0.30 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.14 1s6l h LEU 42 Cb 2.08 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1s6l h LEU 42 CO 0.19 0.84 -0.27 0.00 -0.34 0.00 0.00 178.44 178.86 1s6l h ALA 43 N 1.12 0.40 0.00 1.25 0.00 0.16 -1.27 119.26 120.92 1s6l h ALA 43 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1s6l h ALA 43 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s6l h ALA 43 CO -0.02 0.40 -0.22 0.78 0.00 0.00 0.00 179.25 180.20 1s6l h GLY 44 N 0.40 0.00 1.20 0.00 0.00 0.25 0.57 103.07 105.49 1s6l h GLY 44 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.10 1s6l h GLY 44 CO 0.07 0.00 -1.10 -2.22 0.00 0.00 0.00 176.54 173.29 1s6l h ILE 45 N 0.00 1.28 -0.00 2.60 2.04 0.33 -2.97 117.51 120.80 1s6l h ILE 45 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1s6l h ILE 45 Cb 0.54 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1s6l h ILE 45 CO 0.03 0.71 -0.01 0.18 0.00 0.00 0.00 178.15 179.06 1s6l n LEU 46 N -3.85 0.02 -2.06 1.44 4.77 -0.50 -4.86 117.00 111.95 1s6l n LEU 46 Ca -0.12 0.31 -0.18 0.00 -0.03 0.00 0.00 56.01 56.00 1s6l n LEU 46 Cb 0.91 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1s6l n LEU 46 CO 0.56 0.00 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.73 1s6l n ASP 47 N -1.32 -5.24 -4.47 -1.43 -0.08 -0.28 -4.99 116.55 98.75 1s6l n ASP 47 Ca 0.13 -0.02 -0.29 0.00 -1.51 0.00 0.00 54.79 53.09 1s6l n ASP 47 Cb 0.26 -4.30 -0.12 0.00 2.34 0.00 0.00 41.12 39.30 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1s6l s TRP 48 N -2.90 2.49 0.47 -0.67 0.51 0.03 -5.01 118.94 113.87 1s6l s TRP 48 Ca 0.01 -0.29 -0.24 0.00 -2.12 0.00 0.00 56.10 53.46 1s6l s TRP 48 Cb -0.00 -1.34 -0.08 0.00 -0.81 0.00 0.00 33.47 31.24 1s6l s TRP 48 CO 0.01 0.37 1.38 -2.30 -0.51 0.00 0.00 176.95 175.89 1s6l n PRO 49 N 0.87 2.03 0.22 4.98 -0.02 -1.26 -4.31 135.00 137.51 1s6l n PRO 49 Ca -0.16 0.73 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1s6l n PRO 49 Cb 0.53 -2.57 0.57 0.00 -0.02 0.00 0.00 33.50 32.01 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s6l h ALA 50 N 2.00 1.18 0.03 3.55 0.00 -1.91 0.04 119.26 124.14 1s6l h ALA 50 Ca -0.50 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 1s6l h ALA 50 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1s6l h ALA 50 CO 0.60 -0.18 -1.02 0.93 0.00 0.00 0.00 179.25 179.58 1s6l h GLU 51 N 0.00 0.09 -0.36 0.00 3.07 -1.98 -1.38 114.58 114.02 1s6l h GLU 51 Ca 0.00 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.55 1s6l h GLU 51 Cb 0.45 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1s6l h GLU 51 CO 0.00 1.02 -0.43 0.00 -1.40 0.00 0.00 179.01 178.20 1s6l h ARG 52 N 0.03 0.93 -0.24 2.33 3.08 -1.33 0.92 114.38 120.11 1s6l h ARG 52 Ca -0.04 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.46 1s6l h ARG 52 Cb 1.74 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.81 1s6l h ARG 52 CO 0.14 1.17 0.02 0.28 -1.07 0.00 0.00 179.97 180.52 1s6l h VAL 53 N 0.75 1.24 -0.27 2.04 2.07 -1.57 -1.33 116.25 119.17 1s6l h VAL 53 Ca 0.05 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1s6l h VAL 53 Cb 1.03 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 1s6l h VAL 53 CO 0.10 0.26 -0.17 0.00 0.02 0.00 0.00 177.57 177.78 1s6l h ALA 54 N 0.83 0.03 -0.73 1.67 0.00 -1.05 0.86 119.26 120.87 1s6l h ALA 54 Ca 0.07 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1s6l h ALA 54 Cb 0.36 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1s6l h ALA 54 CO 0.01 -0.57 0.43 0.00 0.00 0.00 0.00 179.25 179.11 1s6l h ALA 55 N 1.04 1.00 -0.08 0.00 0.00 -0.64 -1.08 119.26 119.50 1s6l h ALA 55 Ca 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1s6l h ALA 55 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s6l h ALA 55 CO -0.36 0.12 -0.52 0.28 0.00 0.00 0.00 179.25 178.77 1s6l h VAL 56 N 0.77 1.35 -0.23 0.00 2.07 -0.03 -2.87 116.25 117.32 1s6l h VAL 56 Ca 0.33 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1s6l h VAL 56 Cb 0.20 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1s6l h VAL 56 CO -0.19 0.53 0.08 -0.07 0.02 0.00 0.00 177.57 177.94 1s6l h LEU 57 N 0.18 0.29 -2.36 2.57 3.38 0.20 -0.95 115.31 118.60 1s6l h LEU 57 Ca 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1s6l h LEU 57 Cb 0.97 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1s6l h LEU 57 CO 0.08 0.28 0.14 -0.08 0.09 0.00 0.00 178.44 178.95 1s6l h GLU 58 N 0.32 0.00 0.00 1.13 4.81 -1.16 0.16 114.58 119.84 1s6l h GLU 58 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1s6l h GLU 58 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1s6l h GLU 58 CO -0.01 0.00 -1.17 1.04 -0.73 0.00 0.00 179.01 178.15 1s6l n GLN 59 N -3.65 0.28 -1.21 1.92 6.02 -0.38 -4.13 117.38 116.23 1s6l n GLN 59 Ca -0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.73 1s6l n GLN 59 Cb 0.24 -1.56 0.15 0.00 1.02 0.00 0.00 30.24 30.09 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l n ALA 60 N -1.82 5.46 0.32 -1.58 0.00 0.53 -4.56 120.51 118.86 1s6l n ALA 60 Ca 0.01 -3.14 0.11 0.00 0.00 0.00 0.00 53.44 50.42 1s6l n ALA 60 Cb 0.43 -1.30 0.50 0.00 0.00 0.00 0.00 19.45 19.09 1s6l n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6l n THR 61 N -1.07 0.92 0.09 0.00 -2.24 -1.07 -1.94 114.28 108.97 1s6l n THR 61 Ca 0.54 0.38 0.04 0.00 -2.27 0.00 0.00 64.05 62.74 1s6l n THR 61 Cb 1.26 -1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1s6l n THR 61 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s6l h SER 62 N 0.00 0.00 -3.37 3.42 0.87 -1.90 -3.47 113.55 109.10 1s6l h SER 62 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1s6l h SER 62 Cb 0.25 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.32 1s6l h SER 62 CO 0.00 0.39 0.47 0.41 -0.53 0.00 0.00 176.83 177.57 1s6l n THR 63 N -2.94 2.24 -2.64 2.23 -1.04 -0.82 -4.93 114.28 106.38 1s6l n THR 63 Ca -0.04 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 1s6l n THR 63 Cb 0.73 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 1s6l n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6l s GLU 64 N -2.01 4.45 0.40 -2.82 2.02 -1.26 -5.05 118.70 114.43 1s6l s GLU 64 Ca 0.58 1.46 0.08 0.00 0.02 0.00 0.00 54.97 57.11 1s6l s GLU 64 Cb -0.55 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1s6l s GLU 64 CO 0.60 -0.27 0.53 0.71 0.02 0.00 0.00 175.26 176.85 1s6l s TYR 65 N 1.74 2.87 -0.13 1.61 2.02 -1.26 -3.08 117.35 121.12 1s6l s TYR 65 Ca 0.51 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.66 1s6l s TYR 65 Cb -0.21 -2.26 0.05 0.00 -0.40 0.00 0.00 41.96 39.14 1s6l s TYR 65 CO 0.22 -0.29 0.49 0.34 -1.57 0.00 0.00 175.55 174.73 1s6l s ASP 66 N -4.29 -0.47 0.92 2.29 -1.08 -0.97 -4.82 116.67 108.24 1s6l s ASP 66 Ca 0.52 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 53.32 1s6l s ASP 66 Cb -0.09 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.17 1s6l s ASP 66 CO 0.32 -0.30 0.00 1.17 0.52 0.00 0.00 175.17 176.88 1s6l n LYS 67 N 2.20 0.00 0.02 4.34 4.81 -1.26 -1.94 118.16 126.33 1s6l n LYS 67 Ca -0.16 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.39 1s6l n LYS 67 Cb 0.56 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.69 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6l n ASP 68 N 8.62 0.64 0.00 3.14 8.00 -1.26 -4.91 116.55 130.77 1s6l n ASP 68 Ca 0.00 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.22 1s6l n ASP 68 Cb 0.00 0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6l n GLY 69 N 1.41 1.29 3.95 0.44 0.00 -0.82 -5.15 105.19 106.31 1s6l n GLY 69 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1s6l n GLY 69 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s6l s ASN 70 N -1.43 5.18 -0.37 1.61 -0.87 -1.00 -4.74 114.94 113.32 1s6l s ASN 70 Ca 0.00 0.25 -0.29 0.00 -1.57 0.00 0.00 52.86 51.25 1s6l s ASN 70 Cb 0.00 -1.09 0.02 0.00 -0.02 0.00 0.00 41.25 40.16 1s6l s ASN 70 CO 0.00 -1.27 1.11 -0.63 -2.57 0.00 0.00 177.10 173.74 1s6l s ILE 71 N -2.95 4.39 -0.13 0.60 1.09 -1.06 -2.30 121.20 120.84 1s6l s ILE 71 Ca 0.57 1.55 0.16 0.00 -1.10 0.00 0.00 60.65 61.83 1s6l s ILE 71 Cb -0.10 -4.47 -0.23 0.00 -1.06 0.00 0.00 42.46 36.60 1s6l s ILE 71 CO 0.41 -0.66 0.15 0.00 -0.10 0.00 0.00 174.94 174.74 1s6l n ILE 72 N 6.21 0.87 0.00 2.92 0.00 -1.18 -4.15 119.36 124.03 1s6l n ILE 72 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 62.75 62.23 1s6l n ILE 72 Cb 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 39.64 39.73 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6l n GLY 73 N 1.83 -0.18 1.44 4.50 0.00 -1.25 -4.77 105.19 106.76 1s6l n GLY 73 Ca -0.21 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 1s6l n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s6l n TYR 74 N -0.02 1.58 -0.05 1.61 9.36 -1.26 -4.71 117.16 123.67 1s6l n TYR 74 Ca 0.00 -1.79 -0.03 0.00 3.32 0.00 0.00 57.90 59.41 1s6l n TYR 74 Cb 0.00 -0.60 -0.01 0.00 -0.63 0.00 0.00 39.34 38.10 1s6l n TYR 74 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6l h GLY 75 N 1.16 0.00 -2.41 2.98 0.00 -1.86 -3.48 103.07 99.46 1s6l h GLY 75 Ca 0.31 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.18 1s6l h GLY 75 CO 0.58 0.00 0.36 0.48 0.00 0.00 0.00 176.54 177.96 1s6l s LEU 76 N -7.34 4.06 0.24 3.11 0.05 -1.25 -4.34 118.68 113.21 1s6l s LEU 76 Ca -0.09 1.81 0.07 0.00 0.05 0.00 0.00 54.13 55.97 1s6l s LEU 76 Cb 0.01 -4.35 -0.04 0.00 -2.05 0.00 0.00 46.19 39.76 1s6l s LEU 76 CO 0.13 -0.35 0.13 0.42 -0.55 0.00 0.00 176.35 176.14 1s6l s THR 77 N -1.93 4.20 0.20 5.48 -4.23 -1.26 -4.91 115.64 113.19 1s6l s THR 77 Ca 0.59 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 1s6l s THR 77 Cb -0.14 -3.24 -0.11 0.00 1.34 0.00 0.00 72.50 70.35 1s6l s THR 77 CO 0.19 -0.31 1.46 -0.07 -0.54 0.00 0.00 174.62 175.35 1s6l h LEU 78 N 1.76 0.07 -9.70 4.79 -0.00 -1.99 -3.45 115.31 106.80 1s6l h LEU 78 Ca -0.47 -0.06 -0.64 0.00 -0.00 0.00 0.00 57.88 56.71 1s6l h LEU 78 Cb 1.23 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 41.80 1s6l h LEU 78 CO 0.61 0.83 -0.55 -0.13 -0.00 0.00 0.00 178.44 179.20 1s6l s ARG 79 N -3.27 3.18 0.02 1.13 1.81 -1.26 -5.06 118.95 115.50 1s6l s ARG 79 Ca -0.01 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.21 1s6l s ARG 79 Cb 0.11 -2.92 -0.07 0.00 -0.45 0.00 0.00 34.95 31.62 1s6l s ARG 79 CO 0.80 0.63 1.72 -2.00 -0.68 0.00 0.00 175.30 175.76 1s6l s GLU 80 N -2.09 4.18 0.27 3.54 2.12 -1.26 -4.98 118.70 120.48 1s6l s GLU 80 Ca 0.28 2.34 0.03 0.00 0.36 0.00 0.00 54.97 57.98 1s6l s GLU 80 Cb -0.12 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.45 1s6l s GLU 80 CO 0.20 -0.82 0.26 0.25 -0.54 0.00 0.00 175.26 174.60 1s6l n THR 81 N 5.16 0.00 -0.03 -1.70 -2.24 -1.26 -5.06 114.28 109.14 1s6l n THR 81 Ca 0.17 -1.03 -0.17 0.00 -2.27 0.00 0.00 64.05 60.75 1s6l n THR 81 Cb 0.41 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1s6l n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 82 N -2.15 1.70 -4.58 3.42 3.41 -1.26 -4.82 113.62 109.34 1s6l n SER 82 Ca 0.02 0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.38 1s6l n SER 82 Cb 0.30 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s6l s TYR 83 N -2.56 3.10 -0.03 7.33 1.51 -1.25 -4.62 117.35 120.83 1s6l s TYR 83 Ca -0.20 0.53 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1s6l s TYR 83 Cb 0.07 -3.45 -0.03 0.00 -0.11 0.00 0.00 41.96 38.44 1s6l s TYR 83 CO 0.76 -0.77 -0.01 0.08 -1.11 0.00 0.00 175.55 174.50 1s6l s VAL 84 N 3.15 4.12 -0.28 0.71 1.01 -0.89 -0.37 120.40 127.84 1s6l s VAL 84 Ca 0.32 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1s6l s VAL 84 Cb -0.13 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.55 1s6l s VAL 84 CO 0.18 0.47 0.00 0.12 0.00 0.00 0.00 175.10 175.87 1s6l s PHE 85 N -0.99 2.74 -0.22 5.22 5.36 0.16 -0.18 117.98 130.07 1s6l s PHE 85 Ca 0.17 -2.17 -0.12 0.00 -0.96 0.00 0.00 56.93 53.85 1s6l s PHE 85 Cb -0.11 -2.03 -0.05 0.00 -0.34 0.00 0.00 43.02 40.49 1s6l s PHE 85 CO 0.07 -0.85 0.21 -1.21 -1.46 0.00 0.00 175.22 171.97 1s6l s GLU 86 N 1.27 4.12 0.51 10.12 2.02 0.36 0.15 118.70 137.25 1s6l s GLU 86 Ca 0.02 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.88 1s6l s GLU 86 Cb -0.19 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.52 1s6l s GLU 86 CO -0.10 0.09 0.05 0.96 0.02 0.00 0.00 175.26 176.28 1s6l s ILE 87 N 0.95 1.27 0.00 -1.63 -4.36 -0.88 0.15 121.20 116.71 1s6l s ILE 87 Ca 0.10 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1s6l s ILE 87 Cb -0.13 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1s6l s ILE 87 CO 0.04 0.00 0.00 -0.67 0.24 0.00 0.00 174.94 174.55 1s6l n ASP 88 N -1.31 0.00 -1.67 4.36 2.03 -1.24 -2.35 116.55 116.38 1s6l n ASP 88 Ca -0.16 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.12 1s6l n ASP 88 Cb 0.67 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.09 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1s6l n ASP 89 N -2.90 -0.90 -3.60 1.67 5.68 -1.26 -5.10 116.55 110.14 1s6l n ASP 89 Ca 0.00 -1.67 -0.21 0.00 -0.50 0.00 0.00 54.79 52.41 1s6l n ASP 89 Cb 0.00 0.37 -0.16 0.00 -1.14 0.00 0.00 41.12 40.19 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1s6l s ARG 90 N 0.05 0.07 -0.21 0.11 1.81 -0.99 -5.12 118.95 114.67 1s6l s ARG 90 Ca 0.04 0.17 -0.29 0.00 -1.72 0.00 0.00 55.73 53.93 1s6l s ARG 90 Cb 0.18 -1.21 -0.00 0.00 -0.45 0.00 0.00 34.95 33.46 1s6l s ARG 90 CO -0.05 -0.56 1.16 1.03 -0.68 0.00 0.00 175.30 176.20 1s6l s ARG 91 N 2.22 4.21 0.34 3.54 3.00 -1.26 -2.07 118.95 128.93 1s6l s ARG 91 Ca 0.04 1.46 0.08 0.00 0.00 0.00 0.00 55.73 57.31 1s6l s ARG 91 Cb -0.15 -3.72 -0.04 0.00 0.00 0.00 0.00 34.95 31.04 1s6l s ARG 91 CO -0.08 -0.72 0.12 -0.51 0.00 0.00 0.00 175.30 174.10 1s6l s LEU 92 N 3.45 3.22 0.19 2.53 1.02 0.41 -4.97 118.68 124.52 1s6l s LEU 92 Ca 0.50 -0.80 0.02 0.00 0.02 0.00 0.00 54.13 53.87 1s6l s LEU 92 Cb -0.18 -1.68 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 1s6l s LEU 92 CO 0.12 -0.28 0.01 -0.31 0.02 0.00 0.00 176.35 175.91 1s6l s TYR 93 N -2.44 1.32 0.27 0.29 1.51 -1.26 0.38 117.35 117.42 1s6l s TYR 93 Ca 0.37 -1.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.28 1s6l s TYR 93 Cb -0.02 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1s6l s TYR 93 CO 0.22 -0.18 0.54 0.00 -1.11 0.00 0.00 175.55 175.02 1s6l s ALA 94 N -3.61 -0.35 -0.14 3.71 0.00 0.50 -3.81 121.76 118.05 1s6l s ALA 94 Ca 0.26 -0.83 0.22 0.00 0.00 0.00 0.00 51.96 51.61 1s6l s ALA 94 Cb 0.06 1.01 -0.15 0.00 0.00 0.00 0.00 23.12 24.04 1s6l s ALA 94 CO 0.06 -0.89 0.79 0.91 0.00 0.00 0.00 175.76 176.63 1s6l n TRP 95 N -0.42 0.55 -3.86 0.00 7.02 -1.26 -3.90 117.44 115.56 1s6l n TRP 95 Ca -0.02 0.16 -0.10 0.00 -1.02 0.00 0.00 57.50 56.52 1s6l n TRP 95 Cb 0.61 -0.77 0.02 0.00 -2.42 0.00 0.00 31.31 28.75 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l h ALA 97 N 2.01 1.39 0.00 0.00 0.00 -1.79 -2.91 119.26 117.96 1s6l h ALA 97 Ca -0.33 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 1s6l h ALA 97 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1s6l h ALA 97 CO 0.42 -0.22 -1.04 1.25 0.00 0.00 0.00 179.25 179.66 1s6l h LEU 98 N 0.00 0.00 -1.67 0.00 5.85 -1.83 -3.37 115.31 114.29 1s6l h LEU 98 Ca 0.03 -0.44 0.25 0.00 0.84 0.00 0.00 57.88 58.56 1s6l h LEU 98 Cb 0.41 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1s6l h LEU 98 CO -0.00 1.32 0.84 0.44 -0.34 0.00 0.00 178.44 180.70 1s6l h ASP 99 N -1.00 0.00 -0.61 1.25 5.19 -1.86 0.32 116.42 119.71 1s6l h ASP 99 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1s6l h ASP 99 Cb 1.13 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 1s6l h ASP 99 CO -0.16 0.00 0.39 0.71 -3.12 0.00 0.00 179.24 177.06 1s6l h THR 100 N 0.00 1.17 -1.20 0.35 1.35 -1.71 -3.44 112.91 109.42 1s6l h THR 100 Ca 0.41 -0.34 0.23 0.00 -0.55 0.00 0.00 66.41 66.15 1s6l h THR 100 Cb 2.08 0.28 -0.25 0.00 -1.73 0.00 0.00 68.15 68.53 1s6l h THR 100 CO -0.00 0.17 0.87 -0.22 -0.25 0.00 0.00 175.52 176.09 1s6l s LEU 101 N -9.68 -0.10 0.00 3.87 2.96 0.11 -4.85 118.68 110.99 1s6l s LEU 101 Ca -0.10 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1s6l s LEU 101 Cb 0.17 1.25 0.00 0.00 0.50 0.00 0.00 46.19 48.11 1s6l s LEU 101 CO 0.77 -0.11 0.00 2.30 -1.32 0.00 0.00 176.35 177.98 1s6l n ILE 102 N 0.40 0.00 -3.90 6.68 -5.35 -1.26 -4.71 119.36 111.21 1s6l n ILE 102 Ca -0.01 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.18 1s6l n ILE 102 Cb 0.58 -0.46 -0.12 0.00 -1.74 0.00 0.00 39.64 37.90 1s6l n ILE 102 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1s6l s PHE 103 N -1.86 3.53 0.24 4.28 0.40 -1.26 -4.91 117.98 118.40 1s6l s PHE 103 Ca 0.00 -3.31 0.12 0.00 -0.60 0.00 0.00 56.93 53.14 1s6l s PHE 103 Cb 0.00 -2.75 0.42 0.00 0.51 0.00 0.00 43.02 41.20 1s6l s PHE 103 CO 0.00 -0.58 1.63 -1.35 0.70 0.00 0.00 175.22 175.62 1s6l h PRO 104 N 5.58 0.00 0.00 0.24 0.11 -1.91 -2.98 132.00 133.04 1s6l h PRO 104 Ca 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1s6l h PRO 104 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1s6l h PRO 104 CO 0.72 0.57 -0.26 0.00 -0.21 0.00 0.00 178.00 178.81 1s6l h ALA 105 N 1.43 0.94 0.00 -0.75 0.00 -1.81 -3.06 119.26 116.02 1s6l h ALA 105 Ca -0.01 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1s6l h ALA 105 Cb 1.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1s6l h ALA 105 CO 0.07 0.33 -0.93 1.25 0.00 0.00 0.00 179.25 179.98 1s6l h LEU 106 N 0.00 0.00 0.41 0.00 7.12 -1.88 -3.34 115.31 117.62 1s6l h LEU 106 Ca -0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1s6l h LEU 106 Cb 0.91 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.01 1s6l h LEU 106 CO 0.03 0.93 -0.49 0.40 -0.13 0.00 0.00 178.44 179.18 1s6l h ILE 107 N 0.00 0.00 0.00 4.05 1.08 -1.48 -3.47 117.51 117.69 1s6l h ILE 107 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1s6l h ILE 107 Cb 1.65 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.40 1s6l h ILE 107 CO 0.12 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1s6l n GLY 108 N -1.52 1.01 2.60 5.37 0.00 -1.25 -5.08 105.19 106.32 1s6l n GLY 108 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1s6l n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6l n ARG 109 N -1.98 0.60 -2.98 1.61 5.12 -1.26 -4.96 116.66 112.81 1s6l n ARG 109 Ca 0.00 -2.01 -0.34 0.00 -1.93 0.00 0.00 57.85 53.57 1s6l n ARG 109 Cb 0.00 2.04 -0.06 0.00 -1.16 0.00 0.00 32.46 33.28 1s6l n ARG 109 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1s6l s THR 110 N -2.64 4.51 -0.18 0.55 2.01 -1.26 -3.68 115.64 114.95 1s6l s THR 110 Ca 0.20 1.29 -0.04 0.00 0.31 0.00 0.00 61.69 63.45 1s6l s THR 110 Cb -0.01 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1s6l s THR 110 CO 0.14 -0.13 0.06 0.00 -0.69 0.00 0.00 174.62 174.00 1s6l s ALA 111 N -1.94 0.72 -0.21 7.40 0.00 0.36 -3.70 121.76 124.40 1s6l s ALA 111 Ca 0.55 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.72 1s6l s ALA 111 Cb -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.17 -1.17 1.00 1.03 0.00 0.00 0.00 175.76 176.79 1s6l s ARG 112 N 2.00 4.28 -0.12 0.00 0.52 0.40 0.12 118.95 126.15 1s6l s ARG 112 Ca 0.00 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1s6l s ARG 112 Cb -0.17 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 1s6l s ARG 112 CO -0.08 -0.55 -0.13 0.08 0.02 0.00 0.00 175.30 174.64 1s6l s VAL 113 N 2.91 3.10 -0.04 3.52 1.01 0.35 0.14 120.40 131.39 1s6l s VAL 113 Ca 0.43 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1s6l s VAL 113 Cb -0.16 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1s6l s VAL 113 CO 0.08 0.54 -0.24 -0.94 0.00 0.00 0.00 175.10 174.53 1s6l s SER 114 N 0.15 3.15 0.24 3.32 1.04 0.74 0.16 113.70 122.51 1s6l s SER 114 Ca -0.07 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1s6l s SER 114 Cb -0.15 -0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.36 1s6l s SER 114 CO 0.05 0.29 0.19 -0.94 0.98 0.00 0.00 173.24 173.81 1s6l s SER 115 N -0.45 0.59 -0.03 7.02 1.04 0.45 -2.10 113.70 120.21 1s6l s SER 115 Ca 0.05 -1.48 0.01 0.00 0.48 0.00 0.00 55.95 55.01 1s6l s SER 115 Cb -0.11 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1s6l s SER 115 CO 0.01 -0.93 -0.04 -2.28 0.98 0.00 0.00 173.24 170.98 1s6l s HIS 116 N -3.93 0.63 0.06 5.02 2.46 -1.26 0.97 115.29 119.25 1s6l s HIS 116 Ca 0.39 -0.15 -0.33 0.00 0.47 0.00 0.00 55.06 55.44 1s6l s HIS 116 Cb 0.05 -0.57 -0.12 0.00 -0.13 0.00 0.00 32.58 31.82 1s6l s HIS 116 CO 0.16 -0.15 1.80 0.00 -2.47 0.00 0.00 174.74 174.09 1s6l n ALA 118 N 5.57 1.56 0.01 0.00 0.00 -0.23 -1.03 120.51 126.39 1s6l n ALA 118 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 118 Cb 0.33 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1s6l n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 119 N -1.47 3.00 0.23 0.00 0.00 -1.26 -4.76 120.51 116.25 1s6l n ALA 119 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1s6l n ALA 119 Cb 0.13 0.43 0.34 0.00 0.00 0.00 0.00 19.45 20.35 1s6l n ALA 119 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s6l h THR 120 N 0.00 0.13 -3.81 0.00 2.02 -1.93 -3.47 112.91 105.85 1s6l h THR 120 Ca 0.00 -0.98 -0.39 0.00 0.77 0.00 0.00 66.41 65.82 1s6l h THR 120 Cb 0.81 1.87 0.04 0.00 -1.74 0.00 0.00 68.15 69.12 1s6l h THR 120 CO 0.00 0.07 -0.55 0.61 0.37 0.00 0.00 175.52 176.01 1s6l n GLY 121 N 0.70 -0.45 3.98 2.16 0.00 -0.20 -4.94 105.19 106.44 1s6l n GLY 121 Ca 0.02 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -3.10 4.35 -0.43 4.61 0.00 -1.26 -4.79 121.76 121.14 1s6l s ALA 122 Ca 0.20 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 1s6l s ALA 122 Cb -0.09 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1s6l s ALA 122 CO 0.25 -0.17 0.55 -1.25 0.00 0.00 0.00 175.76 175.15 1s6l s PRO 123 N -4.25 3.22 0.07 0.00 0.04 -1.26 -1.32 135.00 131.50 1s6l s PRO 123 Ca 0.50 -0.52 0.04 0.00 0.04 0.00 0.00 61.00 61.07 1s6l s PRO 123 Cb -0.09 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1s6l s PRO 123 CO 0.32 -0.93 -0.02 0.14 0.04 0.00 0.00 177.00 176.54 1s6l s VAL 124 N 2.52 3.90 -0.08 -0.36 -7.23 0.27 -4.73 120.40 114.70 1s6l s VAL 124 Ca 0.18 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.30 1s6l s VAL 124 Cb -0.15 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1s6l s VAL 124 CO 0.17 0.19 0.27 -0.94 -0.31 0.00 0.00 175.10 174.47 1s6l s SER 125 N -2.08 -0.24 0.06 4.85 1.04 -0.02 0.17 113.70 117.48 1s6l s SER 125 Ca 0.23 0.41 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1s6l s SER 125 Cb -0.11 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1s6l s SER 125 CO 0.15 -0.17 -0.08 -0.76 0.98 0.00 0.00 173.24 173.35 1s6l s LEU 126 N -0.22 2.31 -0.30 2.42 1.02 0.43 -1.28 118.68 123.06 1s6l s LEU 126 Ca -0.03 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.41 1s6l s LEU 126 Cb -0.03 -0.19 0.03 0.00 0.02 0.00 0.00 46.19 46.02 1s6l s LEU 126 CO 0.01 -0.24 0.05 -0.89 0.02 0.00 0.00 176.35 175.30 1s6l s THR 127 N -1.84 3.51 -0.36 5.49 2.01 -0.41 0.13 115.64 124.18 1s6l s THR 127 Ca -0.04 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.76 1s6l s THR 127 Cb -0.07 -2.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 1s6l s THR 127 CO -0.00 -0.02 0.38 -0.69 -0.69 0.00 0.00 174.62 173.60 1s6l s VAL 128 N 1.39 5.14 0.42 3.82 1.01 0.33 -1.60 120.40 130.92 1s6l s VAL 128 Ca -0.01 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1s6l s VAL 128 Cb -0.18 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1s6l s VAL 128 CO 0.01 -0.17 0.41 -0.44 0.00 0.00 0.00 175.10 174.91 1s6l s SER 129 N 1.75 5.14 0.56 3.32 0.01 0.28 0.14 113.70 124.90 1s6l s SER 129 Ca 0.12 -0.70 0.36 0.00 1.31 0.00 0.00 55.95 57.04 1s6l s SER 129 Cb -0.17 -0.56 1.68 0.00 0.21 0.00 0.00 66.02 67.18 1s6l s SER 129 CO 0.12 -0.68 2.08 1.55 0.41 0.00 0.00 173.24 176.72 1s6l h PRO 130 N 0.95 0.00 0.00 12.44 0.13 -1.74 -3.15 132.00 140.64 1s6l h PRO 130 Ca -0.41 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.57 1s6l h PRO 130 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 130 CO 0.55 0.00 -1.72 0.45 -0.23 0.00 0.00 178.00 177.05 1s6l n SER 131 N -3.01 2.22 0.00 1.44 2.88 -1.26 -4.53 113.62 111.36 1s6l n SER 131 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1s6l n SER 131 Cb 0.22 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.66 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1s6l n GLU 132 N -2.29 -0.32 -3.21 -1.46 0.28 -1.19 -5.15 120.64 107.30 1s6l n GLU 132 Ca -0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.63 1s6l n GLU 132 Cb 0.72 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.60 1s6l n GLU 132 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1s6l s ILE 133 N -3.00 4.44 0.00 3.84 -4.36 -1.26 0.99 121.20 121.85 1s6l s ILE 133 Ca 0.00 -0.56 0.02 0.00 -0.26 0.00 0.00 60.65 59.85 1s6l s ILE 133 Cb 0.00 -3.62 0.03 0.00 1.25 0.00 0.00 42.46 40.12 1s6l s ILE 133 CO 0.00 -0.39 0.79 1.67 0.24 0.00 0.00 174.94 177.25 1s6l n GLN 134 N -1.90 0.00 -2.83 0.37 7.27 -0.63 -4.87 117.38 114.79 1s6l n GLN 134 Ca -0.01 -0.62 0.00 0.00 0.07 0.00 0.00 57.00 56.44 1s6l n GLN 134 Cb 0.57 -0.18 0.01 0.00 2.41 0.00 0.00 30.24 33.05 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l s ALA 135 N 0.00 -3.93 -0.26 1.69 0.00 -1.26 -4.87 121.76 113.13 1s6l s ALA 135 Ca 0.02 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 1s6l s ALA 135 Cb 0.02 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1s6l s ALA 135 CO -0.01 -2.44 0.11 0.08 0.00 0.00 0.00 175.76 173.50 1s6l s VAL 136 N 1.68 4.64 -0.11 0.00 1.01 -1.26 -1.29 120.40 125.07 1s6l s VAL 136 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1s6l s VAL 136 Cb 0.04 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1s6l s VAL 136 CO -0.12 0.30 0.24 -1.61 0.00 0.00 0.00 175.10 173.91 1s6l s GLU 137 N 1.66 0.14 0.71 2.72 2.02 -0.41 -3.65 118.70 121.91 1s6l s GLU 137 Ca 0.07 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.60 1s6l s GLU 137 Cb -0.15 -0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.00 1s6l s GLU 137 CO 0.06 -0.25 1.07 -1.25 0.02 0.00 0.00 175.26 174.91 1s6l s PRO 138 N 2.06 2.74 -1.18 0.39 0.04 -1.26 -0.84 135.00 136.95 1s6l s PRO 138 Ca -0.02 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.85 1s6l s PRO 138 Cb -0.12 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1s6l s PRO 138 CO -0.08 -1.26 1.91 0.00 0.04 0.00 0.00 177.00 177.62 1s6l n ALA 139 N -3.18 2.11 0.00 8.56 0.00 -1.24 -2.35 120.51 124.40 1s6l n ALA 139 Ca 0.08 -3.13 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1s6l n ALA 139 Cb 0.53 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.66 -0.15 3.69 0.00 0.00 -1.26 -5.15 105.19 107.98 1s6l n GLY 140 Ca 0.46 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N 0.00 1.42 0.11 1.61 0.00 -0.99 -4.07 119.30 117.38 1s6l s MET 141 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 55.69 57.40 1s6l s MET 141 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 1s6l s MET 141 CO 0.00 -2.35 -0.18 0.00 0.00 0.00 0.00 175.02 172.49 1s6l s ALA 142 N -2.39 1.65 0.16 3.16 0.00 0.36 -3.85 121.76 120.84 1s6l s ALA 142 Ca 0.70 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 51.51 1s6l s ALA 142 Cb -0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1s6l s ALA 142 CO 0.54 0.24 -0.20 0.08 0.00 0.00 0.00 175.76 176.42 1s6l s VAL 143 N -1.57 2.63 0.02 0.00 1.01 0.38 0.21 120.40 123.08 1s6l s VAL 143 Ca 0.07 -1.77 0.07 0.00 0.00 0.00 0.00 61.98 60.35 1s6l s VAL 143 Cb -0.08 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1s6l s VAL 143 CO 0.04 -0.02 -0.21 -0.94 0.00 0.00 0.00 175.10 173.97 1s6l s SER 144 N -2.45 3.56 0.32 3.32 1.04 0.30 0.30 113.70 120.09 1s6l s SER 144 Ca 0.20 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1s6l s SER 144 Cb -0.09 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 1s6l s SER 144 CO 0.10 0.27 0.19 -0.22 0.98 0.00 0.00 173.24 174.56 1s6l s LEU 145 N -1.21 1.70 0.27 2.42 0.20 0.38 -2.40 118.68 120.05 1s6l s LEU 145 Ca 0.13 -1.62 0.12 0.00 0.69 0.00 0.00 54.13 53.44 1s6l s LEU 145 Cb -0.10 0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.88 1s6l s LEU 145 CO 0.03 -0.94 -0.20 0.68 -0.29 0.00 0.00 176.35 175.63 1s6l s VAL 146 N -3.55 2.43 0.24 1.68 -7.23 -1.26 -1.50 120.40 111.22 1s6l s VAL 146 Ca 0.36 -2.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.03 1s6l s VAL 146 Cb 0.04 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 1s6l s VAL 146 CO 0.20 -0.40 0.60 -0.76 -0.31 0.00 0.00 175.10 174.43 1s6l s LEU 147 N -3.46 4.16 0.22 1.32 1.43 -1.16 -4.90 118.68 116.29 1s6l s LEU 147 Ca 0.29 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.35 1s6l s LEU 147 Cb -0.05 -3.74 0.34 0.00 0.03 0.00 0.00 46.19 42.77 1s6l s LEU 147 CO 0.14 -0.09 1.72 -0.65 0.23 0.00 0.00 176.35 177.71 1s6l h PRO 148 N 2.60 0.33 -3.45 1.29 0.11 -1.87 -3.48 132.00 127.52 1s6l h PRO 148 Ca -0.47 -0.02 0.29 0.00 0.11 0.00 0.00 66.00 65.91 1s6l h PRO 148 Cb 1.17 -0.07 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 1s6l h PRO 148 CO 0.68 0.22 -1.21 0.94 -0.21 0.00 0.00 178.00 178.41 1s6l n GLN 149 N -5.07 -3.37 0.06 1.05 0.00 -1.26 -3.87 117.38 104.92 1s6l n GLN 149 Ca 0.10 2.74 0.09 0.00 -0.00 0.00 0.00 57.00 59.93 1s6l n GLN 149 Cb 0.34 -3.82 -0.06 0.00 0.00 0.00 0.00 30.24 26.70 1s6l n GLN 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1s6l n GLU 150 N -4.04 0.62 0.14 3.69 1.02 -1.26 -4.04 120.64 116.77 1s6l n GLU 150 Ca -0.08 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 1s6l n GLU 150 Cb 0.64 -1.74 0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s6l h ALA 151 N 1.86 0.64 -2.29 0.62 0.00 -1.99 -3.47 119.26 114.64 1s6l h ALA 151 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 151 Cb 1.15 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1s6l h ALA 151 CO 0.01 0.02 -0.64 0.00 0.00 0.00 0.00 179.25 178.64 1s6l s ALA 152 N -3.31 1.65 0.04 0.00 0.00 -1.26 -5.04 121.76 113.84 1s6l s ALA 152 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1s6l s ALA 152 Cb 0.08 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1s6l s ALA 152 CO 0.76 -0.38 0.00 -3.47 0.00 0.00 0.00 175.76 172.66 1s6l n ASP 153 N -0.40 0.09 0.00 0.00 2.03 -1.25 -4.30 116.55 112.72 1s6l n ASP 153 Ca -0.03 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1s6l n ASP 153 Cb 0.65 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s6l n VAL 154 N -2.71 0.00 0.05 5.18 0.24 -1.26 -4.82 118.33 115.01 1s6l n VAL 154 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 1s6l n VAL 154 Cb 0.00 -0.01 -0.13 0.00 -1.47 0.00 0.00 33.84 32.23 1s6l n VAL 154 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1s6l h ARG 155 N 0.00 0.03 -2.21 7.34 1.12 -2.02 -3.36 114.38 115.28 1s6l h ARG 155 Ca 0.00 -0.05 -0.79 0.00 -1.11 0.00 0.00 59.98 58.02 1s6l h ARG 155 Cb 0.00 0.02 -0.28 0.00 -0.01 0.00 0.00 29.97 29.70 1s6l h ARG 155 CO 0.00 0.95 0.96 1.04 -3.11 0.00 0.00 179.97 179.81 1s6l n GLN 156 N -3.33 5.00 0.00 0.20 6.02 -1.26 -4.65 117.38 119.37 1s6l n GLN 156 Ca -0.04 -4.53 0.00 0.00 -0.01 0.00 0.00 57.00 52.43 1s6l n GLN 156 Cb 0.97 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1s6l n GLN 156 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1s6l n SER 157 N -0.13 0.00 -3.71 1.08 2.88 -1.26 -4.36 113.62 108.11 1s6l n SER 157 Ca 0.47 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.74 1s6l n SER 157 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1s6l n SER 157 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s6l n PHE 158 N -0.81 -1.59 -0.03 0.66 1.16 -1.26 -4.82 117.46 110.77 1s6l n PHE 158 Ca 0.00 0.48 -0.15 0.00 -1.87 0.00 0.00 57.45 55.91 1s6l n PHE 158 Cb 0.00 -2.11 -0.10 0.00 -1.61 0.00 0.00 39.48 35.67 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s6l n HIS 161 N -2.53 -0.68 -2.32 0.00 -0.00 -1.26 -4.37 115.22 104.05 1s6l n HIS 161 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1s6l n HIS 161 Cb 0.63 -3.38 0.00 0.00 -0.12 0.00 0.00 29.99 27.12 1s6l n HIS 161 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1s6l n VAL 162 N -3.76-12.20 -4.53 3.57 0.31 -1.26 -4.55 118.33 95.92 1s6l n VAL 162 Ca -0.20 2.89 -0.27 0.00 -0.01 0.00 0.00 64.34 66.75 1s6l n VAL 162 Cb 0.64 -5.64 -0.10 0.00 -0.91 0.00 0.00 33.84 27.83 1s6l n VAL 162 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1s6l s HIS 163 N -0.54 2.52 0.12 3.52 3.76 -1.01 -3.43 115.29 120.23 1s6l s HIS 163 Ca 0.00 -0.63 0.06 0.00 -0.15 0.00 0.00 55.06 54.34 1s6l s HIS 163 Cb 0.00 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1s6l s HIS 163 CO 0.00 0.42 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.21 1s6l s PHE 164 N -2.68 2.85 -0.02 1.40 0.08 -1.26 0.11 117.98 118.45 1s6l s PHE 164 Ca 0.36 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.31 1s6l s PHE 164 Cb 0.08 -1.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1s6l s PHE 164 CO 0.19 0.47 -0.04 -0.06 -0.10 0.00 0.00 175.22 175.68 1s6l s PHE 165 N -1.38 0.52 0.53 0.36 0.40 0.55 -1.06 117.98 117.91 1s6l s PHE 165 Ca 0.24 -0.10 0.47 0.00 -0.60 0.00 0.00 56.93 56.94 1s6l s PHE 165 Cb -0.11 -0.44 1.60 0.00 0.51 0.00 0.00 43.02 44.59 1s6l s PHE 165 CO 0.16 -0.09 1.47 0.00 0.70 0.00 0.00 175.22 177.46 1s6l n ALA 166 N 3.54 1.76 -3.88 5.36 0.00 -1.26 0.13 120.51 126.16 1s6l n ALA 166 Ca -0.20 0.60 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 1s6l n ALA 166 Cb 0.54 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1s6l n ALA 166 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s6l s SER 167 N -3.84 -0.01 0.26 0.00 0.01 -1.26 -3.46 113.70 105.40 1s6l s SER 167 Ca -0.05 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.72 1s6l s SER 167 Cb 0.25 0.40 0.34 0.00 0.21 0.00 0.00 66.02 67.21 1s6l s SER 167 CO 0.82 -0.79 1.64 0.58 0.41 0.00 0.00 173.24 175.90 1s6l h VAL 168 N 2.00 1.32 -0.18 3.43 2.07 -1.84 0.75 116.25 123.80 1s6l h VAL 168 Ca -0.26 -1.60 -0.20 0.00 0.82 0.00 0.00 66.70 65.45 1s6l h VAL 168 Cb 1.21 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1s6l h VAL 168 CO 0.34 0.49 -0.69 -0.65 0.02 0.00 0.00 177.57 177.08 1s6l h PRO 169 N 0.30 0.74 0.02 1.57 0.11 -1.95 0.96 132.00 133.75 1s6l h PRO 169 Ca 0.02 -0.55 -0.27 0.00 0.11 0.00 0.00 66.00 65.31 1s6l h PRO 169 Cb 0.89 0.10 0.02 0.00 0.11 0.00 0.00 31.00 32.12 1s6l h PRO 169 CO 0.07 1.17 -1.07 1.15 -0.21 0.00 0.00 178.00 179.11 1s6l h THR 170 N 0.53 1.29 -0.28 -1.15 2.02 -1.94 5.09 112.91 118.46 1s6l h THR 170 Ca -0.03 -2.30 -0.01 0.00 0.77 0.00 0.00 66.41 64.85 1s6l h THR 170 Cb 1.29 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1s6l h THR 170 CO 0.14 0.71 0.15 0.00 0.37 0.00 0.00 175.52 176.89 1s6l h ALA 171 N 0.41 0.36 0.00 6.16 0.00 0.59 1.07 119.26 127.85 1s6l h ALA 171 Ca -0.14 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1s6l h ALA 171 Cb 1.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1s6l h ALA 171 CO 0.21 -0.09 -0.66 0.93 0.00 0.00 0.00 179.25 179.63 1s6l h GLU 172 N 0.34 0.00 0.27 0.00 4.39 0.10 0.17 114.58 119.84 1s6l h GLU 172 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1s6l h GLU 172 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1s6l h GLU 172 CO -0.01 0.66 -0.13 0.22 -1.16 0.00 0.00 179.01 178.59 1s6l h ASP 173 N 0.00 -0.30 0.26 1.42 1.82 1.08 0.06 116.42 120.76 1s6l h ASP 173 Ca -0.01 -0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.36 1s6l h ASP 173 Cb 1.46 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.54 1s6l h ASP 173 CO 0.09 0.17 -0.25 -0.25 -1.61 0.00 0.00 179.24 177.39 1s6l h TRP 174 N -0.90 0.00 -0.77 0.28 2.91 0.11 -1.79 115.95 115.79 1s6l h TRP 174 Ca -0.04 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.94 1s6l h TRP 174 Cb 0.51 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1s6l h TRP 174 CO 0.05 0.25 0.29 0.00 -1.03 0.00 0.00 178.44 178.00 1s6l h ALA 175 N 1.75 1.07 -0.75 2.65 0.00 -0.55 -2.13 119.26 121.30 1s6l h ALA 175 Ca -0.00 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.85 1s6l h ALA 175 Cb 0.44 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1s6l h ALA 175 CO 0.03 0.65 0.30 1.03 0.00 0.00 0.00 179.25 181.26 1s6l h SER 176 N 1.12 0.27 -0.64 0.00 0.87 -0.06 0.30 113.55 115.42 1s6l h SER 176 Ca 0.25 0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.75 1s6l h SER 176 Cb 0.23 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 62.18 1s6l h SER 176 CO -0.02 0.10 0.22 0.29 -0.53 0.00 0.00 176.83 176.89 1s6l n LYS 177 N -5.00 3.49 -1.80 2.24 4.76 -0.98 -4.06 118.16 116.81 1s6l n LYS 177 Ca 0.14 -2.67 0.01 0.00 -2.87 0.00 0.00 58.31 52.92 1s6l n LYS 177 Cb 0.41 -2.11 0.05 0.00 -1.84 0.00 0.00 35.03 31.54 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1s6l n HIS 178 N -0.02 0.52 -3.63 2.13 -0.00 0.10 -5.07 115.22 109.25 1s6l n HIS 178 Ca 0.35 -1.18 -0.35 0.00 0.46 0.00 0.00 57.72 56.99 1s6l n HIS 178 Cb 1.24 -0.20 -0.06 0.00 -0.12 0.00 0.00 29.99 30.86 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1s6l s GLN 179 N -1.66 3.72 0.00 1.57 -0.21 -1.09 -4.43 119.66 117.56 1s6l s GLN 179 Ca 0.34 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.84 1s6l s GLN 179 Cb 0.37 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 31.31 1s6l s GLN 179 CO -0.11 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 1s6l n GLY 180 N 1.19 1.36 3.17 3.09 0.00 -1.26 -5.02 105.19 107.72 1s6l n GLY 180 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1s6l n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 181 N 0.00 3.42 -2.29 0.99 4.77 -1.26 -4.03 117.00 118.60 1s6l n LEU 181 Ca 0.00 -2.58 -0.17 0.00 -0.03 0.00 0.00 56.01 53.23 1s6l n LEU 181 Cb 0.00 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 1s6l n LEU 181 CO 0.00 -0.70 -0.21 -0.62 -1.33 0.00 0.00 177.39 174.53 1s6l n GLU 182 N 7.16 -1.87 -1.83 3.23 4.71 -1.26 -3.28 120.64 127.49 1s6l n GLU 182 Ca 0.49 0.83 -0.00 0.00 -0.01 0.00 0.00 57.16 58.47 1s6l n GLU 182 Cb 0.40 -5.42 0.00 0.00 -1.01 0.00 0.00 31.44 25.41 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s6l n GLY 183 N -0.83 -0.59 3.80 0.62 0.00 -1.26 -3.81 105.19 103.13 1s6l n GLY 183 Ca -0.19 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1s6l n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6l s LEU 184 N -2.16 3.66 0.02 0.99 2.96 -1.21 -2.97 118.68 119.96 1s6l s LEU 184 Ca 0.01 1.85 -0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1s6l s LEU 184 Cb -0.00 -4.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.13 1s6l s LEU 184 CO 0.17 -0.95 -0.02 0.00 -1.32 0.00 0.00 176.35 174.23 1s6l s ALA 185 N -2.26 0.08 0.25 5.97 0.00 -0.56 -4.96 121.76 120.27 1s6l s ALA 185 Ca 0.65 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1s6l s ALA 185 Cb -0.16 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1s6l s ALA 185 CO 0.29 -0.15 0.35 0.42 0.00 0.00 0.00 175.76 176.68 1s6l s ILE 186 N -1.29 5.04 -0.07 0.00 -1.09 -1.26 -0.47 121.20 122.06 1s6l s ILE 186 Ca -0.14 -1.04 -0.30 0.00 -2.23 0.00 0.00 60.65 56.93 1s6l s ILE 186 Cb -0.09 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1s6l s ILE 186 CO -0.01 -0.31 0.78 0.68 -1.23 0.00 0.00 174.94 174.84 1s6l s VAL 187 N -2.02 0.00 -0.08 2.92 -7.23 0.15 -4.92 120.40 109.22 1s6l s VAL 187 Ca 0.35 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.22 1s6l s VAL 187 Cb -0.09 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1s6l s VAL 187 CO 0.29 0.00 1.05 -0.44 -0.31 0.00 0.00 175.10 175.68 1s6l s SER 188 N -1.26 7.22 0.66 4.85 0.01 -1.26 0.14 113.70 124.06 1s6l s SER 188 Ca -0.07 1.61 0.15 0.00 1.31 0.00 0.00 55.95 58.95 1s6l s SER 188 Cb -0.00 -2.56 0.82 0.00 0.21 0.00 0.00 66.02 64.49 1s6l s SER 188 CO 0.06 -0.45 1.46 1.62 0.41 0.00 0.00 173.24 176.34 1s6l h VAL 189 N 5.03 0.01 -0.11 3.43 3.04 -1.89 1.71 116.25 127.46 1s6l h VAL 189 Ca -0.33 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.26 1s6l h VAL 189 Cb 1.16 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1s6l h VAL 189 CO 0.85 0.00 -0.32 0.45 -1.01 0.00 0.00 177.57 177.54 1s6l h HIS 190 N 0.00 0.54 0.00 3.17 3.86 -1.90 -2.69 115.15 118.13 1s6l h HIS 190 Ca 0.02 -0.21 -0.06 0.00 -1.16 0.00 0.00 60.37 58.96 1s6l h HIS 190 Cb 1.38 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 1s6l h HIS 190 CO 0.00 0.93 -0.49 0.93 0.86 0.00 0.00 177.93 180.16 1s6l h GLU 191 N -0.01 0.00 0.00 2.45 5.08 0.16 -3.24 114.58 119.02 1s6l h GLU 191 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1s6l h GLU 191 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1s6l h GLU 191 CO 0.07 0.21 -0.22 0.00 -1.00 0.00 0.00 179.01 178.07 1s6l h ALA 192 N 1.76 1.20 0.00 3.43 0.00 0.13 -0.65 119.26 125.13 1s6l h ALA 192 Ca -0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1s6l h ALA 192 Cb 1.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1s6l h ALA 192 CO 0.03 0.27 -0.64 0.74 0.00 0.00 0.00 179.25 179.65 1s6l h PHE 193 N 0.00 0.00 0.03 0.00 -1.00 -1.50 -0.97 116.94 113.50 1s6l h PHE 193 Ca -0.00 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 1s6l h PHE 193 Cb 0.56 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1s6l h PHE 193 CO 0.00 0.49 -1.28 0.78 -1.61 0.00 0.00 178.31 176.69 1s6l h GLY 194 N 3.55 0.08 1.79 -1.45 0.00 -1.48 0.14 103.07 105.70 1s6l h GLY 194 Ca -0.03 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 1s6l h GLY 194 CO 0.06 0.18 -1.12 -2.00 0.00 0.00 0.00 176.54 173.66 1s6l h LEU 195 N 0.02 0.00 0.00 3.11 6.46 -1.20 -1.14 115.31 122.56 1s6l h LEU 195 Ca -0.13 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.44 1s6l h LEU 195 Cb 1.89 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.79 1s6l h LEU 195 CO 0.13 0.97 -1.02 1.23 -0.62 0.00 0.00 178.44 179.14 1s6l h GLY 196 N 3.13 0.00 1.75 3.75 0.00 -1.22 -3.07 103.07 107.41 1s6l h GLY 196 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1s6l h GLY 196 CO 0.12 0.00 -0.48 -1.61 0.00 0.00 0.00 176.54 174.56 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.71 -3.27 115.11 120.08 1s6l h GLN 197 Ca -0.06 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1s6l h GLN 197 Cb 1.70 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.37 1s6l h GLN 197 CO 0.10 0.23 -0.61 1.49 -1.93 0.00 0.00 178.83 178.10 1s6l h GLU 198 N 0.00 0.00 -0.80 1.69 4.81 -1.24 -3.29 114.58 115.76 1s6l h GLU 198 Ca -0.02 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.44 1s6l h GLU 198 Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1s6l h GLU 198 CO 0.03 0.50 0.58 0.35 -0.73 0.00 0.00 179.01 179.74 1s6l h PHE 199 N 0.00 0.00 0.00 0.92 3.57 -1.58 0.85 116.94 120.70 1s6l h PHE 199 Ca -0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1s6l h PHE 199 Cb 1.42 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 1s6l h PHE 199 CO 0.00 0.00 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.13 1s6l h ASN 200 N 0.00 0.00 0.11 0.41 -0.26 -1.77 -1.38 115.58 112.68 1s6l h ASN 200 Ca 0.38 -0.48 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1s6l h ASN 200 Cb 1.54 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.79 1s6l h ASN 200 CO -0.00 0.76 -0.13 0.03 -1.06 0.00 0.00 177.43 177.02 1s6l h ARG 201 N -1.00 0.07 0.13 0.81 3.08 -1.53 -1.65 114.38 114.29 1s6l h ARG 201 Ca -0.01 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 1s6l h ARG 201 Cb 0.50 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.56 1s6l h ARG 201 CO -0.00 0.21 -0.74 1.25 -1.07 0.00 0.00 179.97 179.62 1s6l h HIS 202 N 0.07 0.49 -0.90 3.04 2.76 0.58 -3.26 115.15 117.93 1s6l h HIS 202 Ca 0.01 -0.36 0.03 0.00 -2.20 0.00 0.00 60.37 57.86 1s6l h HIS 202 Cb 0.28 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.17 1s6l h HIS 202 CO 0.00 1.28 0.58 1.25 -1.30 0.00 0.00 177.93 179.75 1s6l h LEU 203 N -0.43 0.97 -0.59 0.26 6.46 -1.06 -2.39 115.31 118.53 1s6l h LEU 203 Ca -0.13 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1s6l h LEU 203 Cb 1.58 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 41.24 1s6l h LEU 203 CO 0.14 0.67 0.32 0.25 -0.62 0.00 0.00 178.44 179.20 1s6l h LEU 204 N 1.14 0.46 -9.83 2.25 7.12 -1.41 -3.41 115.31 111.63 1s6l h LEU 204 Ca 0.35 0.03 -0.54 0.00 0.13 0.00 0.00 57.88 57.86 1s6l h LEU 204 Cb -0.01 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.02 1s6l h LEU 204 CO -0.11 0.31 0.04 -1.10 -0.13 0.00 0.00 178.44 177.44 1s6l s GLN 205 N -6.11 4.17 -0.22 1.25 1.11 -0.90 -4.99 119.66 113.97 1s6l s GLN 205 Ca -0.13 0.75 0.02 0.00 0.01 0.00 0.00 55.36 56.01 1s6l s GLN 205 Cb 0.15 -2.94 -0.14 0.00 -1.01 0.00 0.00 33.01 29.06 1s6l s GLN 205 CO 0.75 0.45 -0.19 0.25 0.01 0.00 0.00 175.29 176.55 1s6l n THR 206 N 0.87 1.26 -4.31 -0.19 -2.24 -1.26 -4.87 114.28 103.54 1s6l n THR 206 Ca -0.04 -0.48 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 1s6l n THR 206 Cb 0.51 -1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.39 1s6l n THR 206 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1s6l s MET 207 N -2.44 2.24 -0.41 -0.78 -2.45 -1.26 -5.10 119.30 109.11 1s6l s MET 207 Ca -0.29 -1.44 -0.19 0.00 -1.25 0.00 0.00 55.69 52.51 1s6l s MET 207 Cb 0.08 -2.13 0.02 0.00 1.25 0.00 0.00 34.83 34.04 1s6l s MET 207 CO 0.51 0.36 0.57 -1.12 1.05 0.00 0.00 175.02 176.39 1s6l s SER 208 N -3.66 6.30 0.17 1.11 0.01 -1.26 -4.75 113.70 111.62 1s6l s SER 208 Ca 0.31 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1s6l s SER 208 Cb -0.06 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1s6l s SER 208 CO 0.19 -0.66 0.00 -0.24 0.41 0.00 0.00 173.24 172.94 1s6l n SER 209 N 6.00 -1.09 -4.16 2.44 2.88 -1.26 -5.16 113.62 113.26 1s6l n SER 209 Ca -0.03 0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1s6l n SER 209 Cb 0.48 1.23 -0.10 0.00 -0.75 0.00 0.00 64.21 65.07 1s6l n SER 209 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6l s ARG 210 N -1.40 1.07 0.06 -1.46 3.03 -1.26 -5.06 118.95 113.93 1s6l s ARG 210 Ca 0.00 -1.51 0.00 0.00 2.03 0.00 0.00 55.73 56.25 1s6l s ARG 210 Cb 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 34.95 34.18 1s6l s ARG 210 CO 0.00 -0.33 0.00 2.41 -1.13 0.00 0.00 175.30 176.25 1s6l n THR 211 N -0.18 0.00 0.00 4.99 -1.04 -1.26 -5.08 114.28 111.71 1s6l n THR 211 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1s6l n THR 211 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62