#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l n ASP 22 N 0.00 -8.33 -4.41 0.00 8.00 -1.26 -4.68 116.55 105.88 1s6l n ASP 22 Ca 0.00 1.25 -0.44 0.00 0.71 0.00 0.00 54.79 56.30 1s6l n ASP 22 Cb 0.00 -4.84 -0.06 0.00 -0.02 0.00 0.00 41.12 36.19 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s6l s LEU 23 N -7.27 5.31 -0.83 0.64 1.02 -1.26 -4.99 118.68 111.31 1s6l s LEU 23 Ca 0.00 -1.17 0.01 0.00 0.02 0.00 0.00 54.13 52.99 1s6l s LEU 23 Cb 0.00 -2.33 0.22 0.00 0.02 0.00 0.00 46.19 44.10 1s6l s LEU 23 CO 0.00 -0.85 0.75 0.18 0.02 0.00 0.00 176.35 176.45 1s6l n LEU 24 N 5.84 3.99 -2.68 1.79 7.99 -1.26 -4.77 117.00 127.90 1s6l n LEU 24 Ca -0.09 -5.21 -0.05 0.00 -0.01 0.00 0.00 56.01 50.65 1s6l n LEU 24 Cb 0.44 -0.96 0.06 0.00 -0.11 0.00 0.00 43.42 42.85 1s6l n LEU 24 CO 0.53 1.69 0.59 0.55 -1.51 0.00 0.00 177.39 179.24 1s6l n VAL 25 N 1.93 0.00 0.25 4.08 3.14 -1.26 -5.00 118.33 121.47 1s6l n VAL 25 Ca 0.23 -0.94 0.14 0.00 -2.96 0.00 0.00 64.34 60.80 1s6l n VAL 25 Cb 0.37 0.93 0.57 0.00 -1.06 0.00 0.00 33.84 34.65 1s6l n VAL 25 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1s6l h PRO 26 N 1.86 0.00 0.45 1.45 0.13 -1.97 -2.60 132.00 131.32 1s6l h PRO 26 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1s6l h PRO 26 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1s6l h PRO 26 CO -0.08 0.10 -0.39 1.25 -0.23 0.00 0.00 178.00 178.65 1s6l h LEU 27 N 0.00 -1.04 0.00 1.56 5.85 -1.97 0.90 115.31 120.61 1s6l h LEU 27 Ca -0.00 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 1s6l h LEU 27 Cb 0.63 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1s6l h LEU 27 CO 0.01 -0.55 -0.75 0.25 -0.34 0.00 0.00 178.44 177.06 1s6l h LEU 28 N -0.84 0.00 0.14 2.25 5.85 -1.86 -2.28 115.31 118.56 1s6l h LEU 28 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1s6l h LEU 28 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1s6l h LEU 28 CO -0.03 0.74 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.66 1s6l h ARG 29 N 0.00 -0.18 0.00 1.25 9.65 -1.32 -2.52 114.38 121.25 1s6l h ARG 29 Ca -0.01 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1s6l h ARG 29 Cb 1.57 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 30.19 1s6l h ARG 29 CO 0.10 0.27 -0.13 1.49 2.80 0.00 0.00 179.97 184.49 1s6l h GLU 30 N -0.76 0.00 0.00 0.20 4.57 0.72 -1.79 114.58 117.52 1s6l h GLU 30 Ca -0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1s6l h GLU 30 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1s6l h GLU 30 CO 0.03 0.13 -0.42 1.25 -1.18 0.00 0.00 179.01 178.82 1s6l h LEU 31 N 0.00 0.00 -2.04 1.64 5.85 -1.30 -2.81 115.31 116.65 1s6l h LEU 31 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1s6l h LEU 31 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1s6l h LEU 31 CO 0.02 0.42 0.35 0.00 -0.34 0.00 0.00 178.44 178.89 1s6l h ALA 32 N 1.58 1.64 0.00 1.25 0.00 -0.87 0.78 119.26 123.64 1s6l h ALA 32 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1s6l h ALA 32 Cb 0.80 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1s6l h ALA 32 CO 0.05 -0.43 -0.08 0.87 0.00 0.00 0.00 179.25 179.67 1s6l h LYS 33 N 0.00 0.00 -4.30 0.00 1.79 -1.66 -3.47 116.57 108.94 1s6l h LYS 33 Ca 0.08 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.26 1s6l h LYS 33 Cb 0.77 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.52 1s6l h LYS 33 CO -0.00 0.08 -0.47 0.41 -1.08 0.00 0.00 179.45 178.38 1s6l n GLY 34 N -0.11 -0.11 3.29 3.86 0.00 0.27 -5.03 105.19 107.36 1s6l n GLY 34 Ca -0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.87 1.26 -0.24 1.61 0.52 -1.26 -5.11 118.95 109.87 1s6l s ARG 35 Ca 0.39 -1.64 -0.29 0.00 -0.52 0.00 0.00 55.73 53.68 1s6l s ARG 35 Cb -0.17 -0.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.86 1s6l s ARG 35 CO 0.49 -0.15 1.63 -1.25 0.02 0.00 0.00 175.30 176.04 1s6l s PRO 36 N -3.92 3.73 -0.32 3.54 0.04 -1.26 -4.94 135.00 131.87 1s6l s PRO 36 Ca 0.29 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1s6l s PRO 36 Cb 0.06 -4.06 0.04 0.00 0.04 0.00 0.00 34.50 30.59 1s6l s PRO 36 CO 0.08 -1.37 0.06 0.54 0.04 0.00 0.00 177.00 176.35 1s6l s VAL 37 N 5.42 3.47 0.04 -0.36 0.11 -1.26 -5.09 120.40 122.72 1s6l s VAL 37 Ca 0.72 -1.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1s6l s VAL 37 Cb -0.24 -2.98 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 1s6l s VAL 37 CO 0.30 -0.15 0.06 -1.54 -3.33 0.00 0.00 175.10 170.43 1s6l n SER 38 N 4.74 0.03 0.09 3.54 3.41 -1.26 -3.27 113.62 120.90 1s6l n SER 38 Ca -0.13 -1.04 -0.18 0.00 -0.26 0.00 0.00 58.87 57.26 1s6l n SER 38 Cb 0.44 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1s6l n SER 38 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s6l h ARG 39 N 0.00 0.47 0.00 4.33 2.47 -1.97 -0.59 114.38 119.09 1s6l h ARG 39 Ca -0.02 -0.64 -0.05 0.00 -1.26 0.00 0.00 59.98 58.01 1s6l h ARG 39 Cb 0.06 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1s6l h ARG 39 CO 0.02 1.27 -0.23 1.79 0.56 0.00 0.00 179.97 183.38 1s6l h THR 40 N 0.20 0.95 0.15 2.04 1.35 -1.96 1.62 112.91 117.28 1s6l h THR 40 Ca -0.15 -0.84 -0.29 0.00 -0.55 0.00 0.00 66.41 64.58 1s6l h THR 40 Cb 1.86 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 69.77 1s6l h THR 40 CO 0.21 0.22 -1.45 0.74 -0.25 0.00 0.00 175.52 175.00 1s6l h THR 41 N 0.00 1.08 -0.55 6.82 2.02 -1.93 1.12 112.91 121.47 1s6l h THR 41 Ca -0.00 -2.48 -0.03 0.00 0.77 0.00 0.00 66.41 64.66 1s6l h THR 41 Cb 0.46 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 1s6l h THR 41 CO 0.03 0.76 0.20 0.25 0.37 0.00 0.00 175.52 177.13 1s6l h LEU 42 N -0.14 0.74 -0.13 2.58 5.85 -0.75 1.98 115.31 125.43 1s6l h LEU 42 Ca -0.29 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 1s6l h LEU 42 Cb 1.89 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.73 1s6l h LEU 42 CO 0.13 0.68 -0.54 0.00 -0.34 0.00 0.00 178.44 178.37 1s6l h ALA 43 N 1.43 0.24 -0.01 1.25 0.00 0.23 0.10 119.26 122.51 1s6l h ALA 43 Ca 0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 43 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s6l h ALA 43 CO -0.01 0.45 -0.43 0.78 0.00 0.00 0.00 179.25 180.03 1s6l h GLY 44 N 0.24 0.02 0.83 0.00 0.00 0.22 0.34 103.07 104.72 1s6l h GLY 44 Ca -0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1s6l h GLY 44 CO 0.11 0.02 -0.90 -2.22 0.00 0.00 0.00 176.54 173.55 1s6l h ILE 45 N 0.02 1.45 0.00 2.60 2.04 0.32 -3.15 117.51 120.78 1s6l h ILE 45 Ca -0.00 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1s6l h ILE 45 Cb 0.77 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1s6l h ILE 45 CO 0.06 0.71 0.00 0.18 0.00 0.00 0.00 178.15 179.10 1s6l n LEU 46 N -4.06 0.00 -1.69 1.44 4.32 0.35 -4.84 117.00 112.51 1s6l n LEU 46 Ca -0.14 0.49 -0.20 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 46 Cb 0.85 -0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 1s6l n LEU 46 CO 0.51 -0.08 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.72 1s6l n ASP 47 N -1.49 -5.51 -4.72 -1.43 2.03 0.94 -4.95 116.55 101.41 1s6l n ASP 47 Ca 0.06 0.41 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 1s6l n ASP 47 Cb 0.28 -4.76 -0.09 0.00 -0.72 0.00 0.00 41.12 35.84 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1s6l s TRP 48 N -2.80 3.29 0.32 -0.67 0.51 0.21 -4.99 118.94 114.82 1s6l s TRP 48 Ca 0.00 0.25 -0.28 0.00 -2.12 0.00 0.00 56.10 53.95 1s6l s TRP 48 Cb 0.00 -1.89 -0.13 0.00 -0.81 0.00 0.00 33.47 30.64 1s6l s TRP 48 CO 0.00 0.47 1.19 -0.35 -0.51 0.00 0.00 176.95 177.75 1s6l n PRO 49 N 2.40 1.85 0.27 4.98 -0.04 -1.26 -4.44 135.00 138.75 1s6l n PRO 49 Ca -0.19 0.65 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1s6l n PRO 49 Cb 0.54 -2.15 0.59 0.00 -0.04 0.00 0.00 33.50 32.43 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6l h ALA 50 N 2.34 1.31 0.04 0.55 0.00 -1.91 0.13 119.26 121.73 1s6l h ALA 50 Ca -0.44 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 1s6l h ALA 50 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1s6l h ALA 50 CO 0.62 -0.31 -1.04 0.93 0.00 0.00 0.00 179.25 179.45 1s6l h GLU 51 N 0.00 0.16 -0.55 0.00 5.08 -1.99 -2.19 114.58 115.09 1s6l h GLU 51 Ca 0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1s6l h GLU 51 Cb 0.70 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1s6l h GLU 51 CO 0.00 1.06 -0.11 0.00 -1.00 0.00 0.00 179.01 178.96 1s6l h ARG 52 N 0.06 1.04 -0.16 2.33 2.47 -1.07 0.11 114.38 119.15 1s6l h ARG 52 Ca -0.06 -0.38 -0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1s6l h ARG 52 Cb 1.74 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.99 1s6l h ARG 52 CO 0.16 1.07 0.08 0.28 0.56 0.00 0.00 179.97 182.12 1s6l h VAL 53 N 0.92 1.12 -0.16 2.04 2.07 -1.54 -1.54 116.25 119.16 1s6l h VAL 53 Ca 0.14 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1s6l h VAL 53 Cb 0.68 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1s6l h VAL 53 CO 0.05 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.53 1s6l h ALA 54 N 0.96 -0.15 -0.82 1.67 0.00 -1.02 0.45 119.26 120.35 1s6l h ALA 54 Ca 0.06 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1s6l h ALA 54 Cb 0.10 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1s6l h ALA 54 CO -0.01 -0.66 0.43 0.00 0.00 0.00 0.00 179.25 179.01 1s6l h ALA 55 N 0.75 1.21 -0.06 0.00 0.00 -0.56 0.86 119.26 121.46 1s6l h ALA 55 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1s6l h ALA 55 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s6l h ALA 55 CO -0.31 -0.04 -0.36 0.28 0.00 0.00 0.00 179.25 178.82 1s6l h VAL 56 N 0.65 1.28 -0.41 0.00 2.07 -0.23 -2.75 116.25 116.87 1s6l h VAL 56 Ca 0.43 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1s6l h VAL 56 Cb 0.55 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1s6l h VAL 56 CO -0.32 0.39 0.04 0.25 0.02 0.00 0.00 177.57 177.94 1s6l h LEU 57 N 0.11 0.59 -0.54 2.57 6.46 0.13 0.11 115.31 124.74 1s6l h LEU 57 Ca 0.01 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1s6l h LEU 57 Cb 0.69 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 1s6l h LEU 57 CO 0.05 0.64 0.31 -0.08 -0.62 0.00 0.00 178.44 178.74 1s6l h GLU 58 N 0.61 0.59 -0.00 1.25 4.81 -1.11 -1.72 114.58 119.00 1s6l h GLU 58 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1s6l h GLU 58 Cb 0.32 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1s6l h GLU 58 CO 0.01 0.39 -0.32 0.00 -0.73 0.00 0.00 179.01 178.36 1s6l n GLN 59 N -4.80 0.33 -3.65 1.92 10.64 -1.05 -4.36 117.38 116.41 1s6l n GLN 59 Ca 0.04 -0.16 -0.28 0.00 -1.83 0.00 0.00 57.00 54.77 1s6l n GLN 59 Cb 0.10 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.88 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s6l n ALA 60 N -1.19 3.77 0.26 2.61 0.00 0.37 -4.78 120.51 121.55 1s6l n ALA 60 Ca 0.09 -4.66 0.07 0.00 0.00 0.00 0.00 53.44 48.94 1s6l n ALA 60 Cb 0.33 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 1.40 0.00 0.15 0.00 -2.24 -1.20 -4.44 114.28 107.94 1s6l n THR 61 Ca 0.25 -0.27 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1s6l n THR 61 Cb 0.38 0.49 0.18 0.00 -2.10 0.00 0.00 70.33 69.29 1s6l n THR 61 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6l h SER 62 N 0.00 0.00 -3.71 3.42 0.02 -1.91 -3.45 113.55 107.91 1s6l h SER 62 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1s6l h SER 62 Cb 0.54 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.19 1s6l h SER 62 CO 0.00 0.56 0.63 0.41 -1.14 0.00 0.00 176.83 177.29 1s6l n THR 63 N -3.60 2.34 -2.63 -2.27 -1.04 -1.26 -4.93 114.28 100.88 1s6l n THR 63 Ca -0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 1s6l n THR 63 Cb 0.62 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 -2.17 4.45 0.45 -2.82 2.02 -1.26 -5.04 118.70 114.32 1s6l s GLU 64 Ca 0.58 1.48 0.08 0.00 0.02 0.00 0.00 54.97 57.12 1s6l s GLU 64 Cb -0.50 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.24 1s6l s GLU 64 CO 0.60 -0.26 0.51 0.71 0.02 0.00 0.00 175.26 176.85 1s6l s TYR 65 N 1.71 2.50 0.21 1.61 2.02 -1.26 -3.06 117.35 121.08 1s6l s TYR 65 Ca 0.51 -0.51 -0.00 0.00 -0.37 0.00 0.00 57.07 56.70 1s6l s TYR 65 Cb -0.21 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1s6l s TYR 65 CO 0.22 -0.41 0.29 -3.47 -1.57 0.00 0.00 175.55 170.61 1s6l n ASP 66 N -1.78 0.38 -0.01 2.29 2.03 0.44 -4.73 116.55 115.16 1s6l n ASP 66 Ca 0.07 -1.32 -0.05 0.00 0.52 0.00 0.00 54.79 54.01 1s6l n ASP 66 Cb 0.61 -0.19 0.17 0.00 -0.72 0.00 0.00 41.12 40.99 1s6l n ASP 66 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1s6l h LYS 67 N 0.00 0.56 -0.51 -0.67 2.10 -2.01 -2.58 116.57 113.46 1s6l h LYS 67 Ca -0.09 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1s6l h LYS 67 Cb 0.35 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1s6l h LYS 67 CO 0.10 0.77 0.00 -3.47 -2.00 0.00 0.00 179.45 174.85 1s6l n ASP 68 N -4.11 2.67 0.00 7.07 -0.08 -1.26 -4.89 116.55 115.95 1s6l n ASP 68 Ca -0.00 -2.12 0.00 0.00 -1.51 0.00 0.00 54.79 51.15 1s6l n ASP 68 Cb 0.42 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.51 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s6l n GLY 69 N 1.01 0.42 3.95 0.27 0.00 -0.97 -5.05 105.19 104.82 1s6l n GLY 69 Ca 0.15 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.72 5.65 -0.05 1.61 0.02 -1.26 -4.67 114.94 113.52 1s6l s ASN 70 Ca 0.00 0.33 -0.30 0.00 -1.02 0.00 0.00 52.86 51.88 1s6l s ASN 70 Cb 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 41.25 39.80 1s6l s ASN 70 CO 0.00 -0.88 1.00 -0.63 0.02 0.00 0.00 177.10 176.61 1s6l s ILE 71 N -2.71 4.81 -0.15 0.60 1.09 -1.20 0.17 121.20 123.80 1s6l s ILE 71 Ca 0.51 2.04 0.16 0.00 -1.10 0.00 0.00 60.65 62.26 1s6l s ILE 71 Cb -0.10 -4.31 -0.03 0.00 -1.06 0.00 0.00 42.46 36.96 1s6l s ILE 71 CO 0.40 0.08 1.14 -0.29 -0.10 0.00 0.00 174.94 176.17 1s6l h ILE 72 N 4.94 0.63 -0.13 2.92 2.10 -1.83 -3.41 117.51 122.72 1s6l h ILE 72 Ca -0.36 -2.01 -0.06 0.00 1.08 0.00 0.00 64.86 63.51 1s6l h ILE 72 Cb 1.18 2.17 -0.02 0.00 -1.09 0.00 0.00 36.82 39.07 1s6l h ILE 72 CO 0.80 0.36 -0.05 0.61 -1.08 0.00 0.00 178.15 178.79 1s6l n GLY 73 N 1.30 0.42 2.76 8.18 0.00 -1.26 -4.80 105.19 111.79 1s6l n GLY 73 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1s6l n GLY 73 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6l n TYR 74 N -2.37 -2.53 0.00 1.61 4.02 -1.26 -4.78 117.16 111.85 1s6l n TYR 74 Ca -0.03 0.72 0.00 0.00 -0.01 0.00 0.00 57.90 58.58 1s6l n TYR 74 Cb 0.37 -1.28 0.00 0.00 -0.02 0.00 0.00 39.34 38.41 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1s6l n GLY 75 N -1.84 2.01 3.75 2.72 0.00 -1.26 -5.05 105.19 105.53 1s6l n GLY 75 Ca 0.00 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1s6l n GLY 75 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s6l s LEU 76 N 0.00 4.49 0.26 0.99 0.05 -1.25 -4.24 118.68 118.98 1s6l s LEU 76 Ca 0.00 2.32 0.03 0.00 0.05 0.00 0.00 54.13 56.53 1s6l s LEU 76 Cb 0.00 -3.62 -0.03 0.00 -2.05 0.00 0.00 46.19 40.48 1s6l s LEU 76 CO 0.00 -0.29 0.42 0.42 -0.55 0.00 0.00 176.35 176.35 1s6l s THR 77 N -0.73 5.21 0.24 5.48 -4.23 -1.26 -4.98 115.64 115.37 1s6l s THR 77 Ca 0.48 -0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 1s6l s THR 77 Cb -0.33 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 69.88 1s6l s THR 77 CO 0.41 -0.37 1.88 -0.07 -0.54 0.00 0.00 174.62 175.93 1s6l h LEU 78 N 1.19 0.93 -9.40 4.79 3.38 -2.01 -3.42 115.31 110.77 1s6l h LEU 78 Ca -0.51 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.81 1s6l h LEU 78 Cb 1.22 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1s6l h LEU 78 CO 0.62 0.64 -0.69 -0.13 0.09 0.00 0.00 178.44 178.97 1s6l s ARG 79 N -6.09 2.39 0.22 1.13 0.52 -1.26 -5.08 118.95 110.78 1s6l s ARG 79 Ca -0.13 -0.92 -0.32 0.00 -0.52 0.00 0.00 55.73 53.84 1s6l s ARG 79 Cb 0.18 -2.45 -0.13 0.00 0.52 0.00 0.00 34.95 33.07 1s6l s ARG 79 CO 0.80 0.52 1.57 -1.91 0.02 0.00 0.00 175.30 176.30 1s6l n GLU 80 N 0.56 2.37 -2.29 3.54 2.13 -1.26 -5.00 120.64 120.70 1s6l n GLU 80 Ca -0.12 0.85 -0.10 0.00 0.66 0.00 0.00 57.16 58.46 1s6l n GLU 80 Cb 0.52 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1s6l n THR 81 N 2.86 0.00 -0.06 6.31 -2.24 -1.26 -5.07 114.28 114.82 1s6l n THR 81 Ca 0.14 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 1s6l n THR 81 Cb 0.32 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.03 1s6l n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s6l n SER 82 N -2.06 1.82 -4.61 3.42 7.64 -1.26 -4.83 113.62 113.74 1s6l n SER 82 Ca 0.00 0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 1s6l n SER 82 Cb 0.24 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s6l s TYR 83 N -2.54 2.83 -0.10 1.43 1.51 -1.25 -4.62 117.35 114.60 1s6l s TYR 83 Ca -0.25 0.78 -0.02 0.00 -1.01 0.00 0.00 57.07 56.57 1s6l s TYR 83 Cb 0.08 -4.31 -0.03 0.00 -0.11 0.00 0.00 41.96 37.58 1s6l s TYR 83 CO 0.71 -1.27 -0.01 0.08 -1.11 0.00 0.00 175.55 173.95 1s6l s VAL 84 N 4.42 4.18 -0.27 0.71 1.01 -0.69 -1.38 120.40 128.37 1s6l s VAL 84 Ca 0.49 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1s6l s VAL 84 Cb -0.09 -2.77 0.07 0.00 0.00 0.00 0.00 36.38 33.60 1s6l s VAL 84 CO 0.29 0.58 -0.03 0.12 0.00 0.00 0.00 175.10 176.07 1s6l s PHE 85 N -0.64 2.87 -0.22 5.22 5.36 -0.51 -0.36 117.98 129.70 1s6l s PHE 85 Ca 0.10 -2.19 -0.12 0.00 -0.96 0.00 0.00 56.93 53.76 1s6l s PHE 85 Cb -0.12 -1.99 -0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1s6l s PHE 85 CO 0.02 -0.85 0.24 -1.21 -1.46 0.00 0.00 175.22 171.96 1s6l s GLU 86 N 1.23 4.12 -0.04 10.12 2.02 0.36 0.99 118.70 137.50 1s6l s GLU 86 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.86 1s6l s GLU 86 Cb -0.19 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1s6l s GLU 86 CO -0.08 0.06 0.05 0.96 0.02 0.00 0.00 175.26 176.26 1s6l s ILE 87 N 1.05 -0.05 0.00 -1.63 -4.36 -1.07 0.14 121.20 115.28 1s6l s ILE 87 Ca 0.12 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 60.85 1s6l s ILE 87 Cb -0.14 -0.16 0.00 0.00 1.25 0.00 0.00 42.46 43.41 1s6l s ILE 87 CO 0.05 0.16 0.00 -0.67 0.24 0.00 0.00 174.94 174.72 1s6l n ASP 88 N 4.96 0.00 -1.47 4.36 2.03 -1.26 -0.67 116.55 124.50 1s6l n ASP 88 Ca -0.10 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.17 1s6l n ASP 88 Cb 0.50 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6l n ASP 89 N 0.25 -0.85 -3.70 1.67 2.03 -1.26 -5.10 116.55 109.59 1s6l n ASP 89 Ca 0.00 -1.61 -0.26 0.00 0.52 0.00 0.00 54.79 53.44 1s6l n ASP 89 Cb 0.00 0.33 -0.17 0.00 -0.72 0.00 0.00 41.12 40.56 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1s6l s ARG 90 N 0.04 0.43 -0.19 -0.67 1.81 0.15 -5.12 118.95 115.40 1s6l s ARG 90 Ca 0.03 -0.21 -0.29 0.00 -1.72 0.00 0.00 55.73 53.54 1s6l s ARG 90 Cb 0.13 -1.80 -0.00 0.00 -0.45 0.00 0.00 34.95 32.83 1s6l s ARG 90 CO -0.04 -0.59 1.13 1.03 -0.68 0.00 0.00 175.30 176.16 1s6l s ARG 91 N 1.98 4.26 0.33 3.54 3.00 -1.26 -2.60 118.95 128.20 1s6l s ARG 91 Ca 0.01 1.50 0.07 0.00 0.00 0.00 0.00 55.73 57.31 1s6l s ARG 91 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 34.95 31.09 1s6l s ARG 91 CO -0.08 -0.63 0.32 -0.51 0.00 0.00 0.00 175.30 174.40 1s6l s LEU 92 N 3.19 3.69 0.11 2.53 2.01 0.28 -4.95 118.68 125.53 1s6l s LEU 92 Ca 0.49 -0.42 0.05 0.00 0.01 0.00 0.00 54.13 54.26 1s6l s LEU 92 Cb -0.18 -2.33 -0.04 0.00 0.01 0.00 0.00 46.19 43.65 1s6l s LEU 92 CO 0.11 -0.35 -0.12 -0.31 1.01 0.00 0.00 176.35 176.70 1s6l s TYR 93 N -2.27 1.21 0.22 0.29 2.02 -1.26 -1.43 117.35 116.13 1s6l s TYR 93 Ca 0.41 -0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 56.37 1s6l s TYR 93 Cb -0.07 -0.64 -0.00 0.00 -0.40 0.00 0.00 41.96 40.85 1s6l s TYR 93 CO 0.27 0.06 0.41 0.00 -1.57 0.00 0.00 175.55 174.73 1s6l s ALA 94 N -2.38 -0.15 -1.59 3.71 0.00 -0.48 -3.90 121.76 116.96 1s6l s ALA 94 Ca 0.08 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.38 1s6l s ALA 94 Cb -0.03 1.03 -0.10 0.00 0.00 0.00 0.00 23.12 24.01 1s6l s ALA 94 CO 0.01 -0.78 1.00 0.91 0.00 0.00 0.00 175.76 176.90 1s6l n TRP 95 N -0.33 0.00 -0.22 0.00 7.02 -1.26 -3.96 117.44 118.68 1s6l n TRP 95 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1s6l n TRP 95 Cb 0.62 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l n ALA 97 N 0.00 -2.77 0.00 0.00 0.00 0.37 -2.91 120.51 115.19 1s6l n ALA 97 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1s6l n ALA 97 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1s6l n ALA 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s6l n LEU 98 N -2.63 0.00 -0.31 0.00 0.00 -1.26 -4.49 117.00 108.31 1s6l n LEU 98 Ca 0.05 0.00 0.35 0.00 0.00 0.00 0.00 56.01 56.41 1s6l n LEU 98 Cb 0.56 0.00 0.74 0.00 0.00 0.00 0.00 43.42 44.72 1s6l n LEU 98 CO 0.52 0.00 1.32 -0.78 0.00 0.00 0.00 177.39 178.45 1s6l h ASP 99 N 0.00 0.00 -0.95 1.96 1.82 -1.83 0.52 116.42 117.93 1s6l h ASP 99 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1s6l h ASP 99 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 1s6l h ASP 99 CO 0.00 0.00 0.63 0.71 -1.61 0.00 0.00 179.24 178.97 1s6l h THR 100 N 0.00 1.25 0.00 2.25 1.35 -1.79 -3.45 112.91 112.51 1s6l h THR 100 Ca 0.56 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1s6l h THR 100 Cb 2.34 -0.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1s6l h THR 100 CO -0.01 0.24 0.00 -0.11 -0.25 0.00 0.00 175.52 175.39 1s6l n LEU 101 N -4.39 0.00 -2.68 3.87 -0.00 0.18 -4.88 117.00 109.10 1s6l n LEU 101 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.04 1s6l n LEU 101 Cb 0.02 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.48 1s6l n LEU 101 CO 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 177.39 177.76 1s6l n ILE 102 N -0.50 0.85 -2.70 1.96 0.00 -1.26 -4.64 119.36 113.07 1s6l n ILE 102 Ca 0.00 -2.77 -0.07 0.00 0.00 0.00 0.00 62.75 59.91 1s6l n ILE 102 Cb 0.00 0.79 0.10 0.00 0.00 0.00 0.00 39.64 40.53 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1s6l n PHE 103 N -0.23 -1.96 0.01 9.51 3.72 -1.26 -5.01 117.46 122.24 1s6l n PHE 103 Ca 0.06 -1.61 -0.14 0.00 -0.05 0.00 0.00 57.45 55.72 1s6l n PHE 103 Cb 0.82 1.47 -0.02 0.00 -0.94 0.00 0.00 39.48 40.81 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s6l h PRO 104 N 2.61 0.63 0.00 -1.08 0.13 -1.91 -1.42 132.00 130.97 1s6l h PRO 104 Ca -0.20 -0.49 -0.08 0.00 -0.87 0.00 0.00 66.00 64.36 1s6l h PRO 104 Cb 1.15 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 104 CO 0.06 1.12 -0.36 0.00 -0.23 0.00 0.00 178.00 178.59 1s6l h ALA 105 N 0.75 0.78 0.20 -0.56 0.00 -1.78 -3.23 119.26 115.42 1s6l h ALA 105 Ca -0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 105 Cb 1.33 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1s6l h ALA 105 CO 0.14 0.45 -1.49 1.25 0.00 0.00 0.00 179.25 179.60 1s6l h LEU 106 N 0.00 0.66 -0.42 0.00 7.12 -1.90 -3.35 115.31 117.42 1s6l h LEU 106 Ca -0.00 -0.92 0.03 0.00 0.13 0.00 0.00 57.88 57.12 1s6l h LEU 106 Cb 1.23 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 41.11 1s6l h LEU 106 CO 0.05 1.69 0.20 -0.29 -0.13 0.00 0.00 178.44 179.96 1s6l h ILE 107 N 0.01 0.96 0.00 4.05 6.09 -1.34 -3.47 117.51 123.82 1s6l h ILE 107 Ca -0.28 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1s6l h ILE 107 Cb 2.03 0.51 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1s6l h ILE 107 CO 0.20 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 175.96 1s6l n GLY 108 N -1.23 1.21 3.61 8.18 0.00 -1.22 -5.09 105.19 110.66 1s6l n GLY 108 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1s6l n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6l s ARG 109 N -0.93 1.76 0.49 1.61 6.06 -1.26 -5.04 118.95 121.65 1s6l s ARG 109 Ca 0.00 -1.40 -0.17 0.00 -2.50 0.00 0.00 55.73 51.66 1s6l s ARG 109 Cb 0.00 0.50 -0.09 0.00 0.06 0.00 0.00 34.95 35.42 1s6l s ARG 109 CO 0.00 -0.75 0.97 0.99 -2.50 0.00 0.00 175.30 174.01 1s6l s THR 110 N -3.50 4.50 -0.19 4.11 2.01 -1.26 -4.17 115.64 117.14 1s6l s THR 110 Ca 0.23 1.27 -0.04 0.00 0.31 0.00 0.00 61.69 63.46 1s6l s THR 110 Cb -0.02 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1s6l s THR 110 CO 0.12 -0.60 0.06 0.00 -0.69 0.00 0.00 174.62 173.51 1s6l s ALA 111 N -2.52 0.74 -0.23 7.40 0.00 0.30 -3.99 121.76 123.46 1s6l s ALA 111 Ca 0.59 -0.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 1s6l s ALA 111 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.27 -1.18 0.90 1.03 0.00 0.00 0.00 175.76 176.78 1s6l s ARG 112 N 1.99 4.22 -0.13 0.00 0.52 0.38 0.15 118.95 126.07 1s6l s ARG 112 Ca 0.01 1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 56.30 1s6l s ARG 112 Cb -0.17 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 1s6l s ARG 112 CO -0.09 -0.54 -0.11 0.08 0.02 0.00 0.00 175.30 174.66 1s6l s VAL 113 N 2.92 3.27 -0.04 3.52 1.01 0.27 0.13 120.40 131.48 1s6l s VAL 113 Ca 0.38 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1s6l s VAL 113 Cb -0.15 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1s6l s VAL 113 CO 0.07 0.52 -0.22 -0.44 0.00 0.00 0.00 175.10 175.04 1s6l s SER 114 N 0.27 2.64 0.25 3.32 0.01 0.52 0.12 113.70 120.82 1s6l s SER 114 Ca -0.08 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 1s6l s SER 114 Cb -0.15 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 1s6l s SER 114 CO 0.05 0.23 0.23 -0.55 0.41 0.00 0.00 173.24 173.60 1s6l s SER 115 N -0.23 0.57 -0.02 2.44 0.15 0.52 -1.71 113.70 115.43 1s6l s SER 115 Ca 0.01 -1.45 0.02 0.00 0.70 0.00 0.00 55.95 55.23 1s6l s SER 115 Cb -0.11 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1s6l s SER 115 CO 0.02 -0.96 -0.08 -1.38 1.20 0.00 0.00 173.24 172.04 1s6l s HIS 116 N -3.88 0.78 0.22 3.44 -3.43 -1.26 0.13 115.29 111.29 1s6l s HIS 116 Ca 0.37 -0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.16 1s6l s HIS 116 Cb 0.04 -0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 30.55 1s6l s HIS 116 CO 0.16 -0.06 1.41 0.00 -2.00 0.00 0.00 174.74 174.25 1s6l n ALA 118 N 2.69 2.08 0.01 0.00 0.00 -1.26 -0.57 120.51 123.46 1s6l n ALA 118 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1s6l n ALA 118 Cb 0.41 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.20 3.00 0.06 0.00 0.00 -1.26 -4.80 120.51 116.31 1s6l n ALA 119 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1s6l n ALA 119 Cb 0.13 0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 0.38 0.00 0.00 2.02 -1.95 -3.48 112.91 109.89 1s6l h THR 120 Ca 0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1s6l h THR 120 Cb 0.80 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1s6l h THR 120 CO 0.00 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.72 1s6l n GLY 121 N 1.33 0.49 3.71 2.16 0.00 0.27 -4.92 105.19 108.22 1s6l n GLY 121 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l n ALA 122 N 1.00 0.90 -2.63 4.61 0.00 -1.26 -4.33 120.51 118.81 1s6l n ALA 122 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1s6l n ALA 122 Cb 0.09 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 1s6l n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s6l s PRO 123 N -3.39 3.36 -0.03 0.00 0.05 -1.26 -1.40 135.00 132.33 1s6l s PRO 123 Ca 0.81 -0.12 -0.05 0.00 0.05 0.00 0.00 61.00 61.70 1s6l s PRO 123 Cb -0.37 -4.08 -0.04 0.00 0.05 0.00 0.00 34.50 30.06 1s6l s PRO 123 CO 0.42 -1.70 0.20 0.14 0.05 0.00 0.00 177.00 176.11 1s6l s VAL 124 N 4.65 5.41 -0.12 -0.36 -7.23 0.34 -4.62 120.40 118.48 1s6l s VAL 124 Ca 0.35 0.02 -0.14 0.00 -1.81 0.00 0.00 61.98 60.41 1s6l s VAL 124 Cb -0.10 -3.52 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1s6l s VAL 124 CO 0.20 0.40 0.37 -0.94 -0.31 0.00 0.00 175.10 174.82 1s6l s SER 125 N -1.67 -0.36 0.03 4.85 1.04 0.64 0.19 113.70 118.43 1s6l s SER 125 Ca 0.25 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1s6l s SER 125 Cb -0.13 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1s6l s SER 125 CO 0.15 -0.20 -0.05 -0.76 0.98 0.00 0.00 173.24 173.36 1s6l s LEU 126 N -0.10 2.28 -0.31 2.42 1.02 0.32 -1.33 118.68 122.98 1s6l s LEU 126 Ca -0.03 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.46 1s6l s LEU 126 Cb -0.03 -0.00 0.01 0.00 0.02 0.00 0.00 46.19 46.19 1s6l s LEU 126 CO 0.01 -0.29 0.12 -0.89 0.02 0.00 0.00 176.35 175.31 1s6l s THR 127 N -1.73 4.16 -0.40 5.49 2.01 -0.61 0.94 115.64 125.50 1s6l s THR 127 Ca -0.11 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1s6l s THR 127 Cb -0.08 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.25 1s6l s THR 127 CO -0.01 0.00 0.44 -0.69 -0.69 0.00 0.00 174.62 173.67 1s6l s VAL 128 N 1.52 5.08 0.38 3.82 1.01 0.41 -2.63 120.40 129.99 1s6l s VAL 128 Ca 0.02 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1s6l s VAL 128 Cb -0.18 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1s6l s VAL 128 CO 0.04 -0.34 0.32 -0.94 0.00 0.00 0.00 175.10 174.18 1s6l s SER 129 N 1.80 5.09 0.55 3.32 1.04 0.16 0.11 113.70 125.77 1s6l s SER 129 Ca 0.13 -0.66 0.36 0.00 0.48 0.00 0.00 55.95 56.26 1s6l s SER 129 Cb -0.17 -0.74 1.73 0.00 0.10 0.00 0.00 66.02 66.95 1s6l s SER 129 CO 0.14 -0.50 2.09 1.55 0.98 0.00 0.00 173.24 177.49 1s6l h PRO 130 N 1.17 0.00 0.00 4.02 0.13 -1.72 -3.16 132.00 132.44 1s6l h PRO 130 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 1s6l h PRO 130 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 130 CO 0.59 0.00 -1.46 0.43 -0.23 0.00 0.00 178.00 177.33 1s6l n SER 131 N -2.95 3.20 0.00 1.44 7.64 -1.26 -4.33 113.62 117.35 1s6l n SER 131 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1s6l n SER 131 Cb 0.19 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1s6l n GLU 132 N -2.11 -0.27 -3.61 1.43 0.28 -1.19 -5.16 120.64 110.02 1s6l n GLU 132 Ca -0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.67 1s6l n GLU 132 Cb 0.56 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.41 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 5.17 0.00 3.84 -4.36 -1.26 0.36 121.20 121.95 1s6l s ILE 133 Ca 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 60.65 59.89 1s6l s ILE 133 Cb 0.00 -3.81 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1s6l s ILE 133 CO 0.00 -0.36 0.83 0.00 0.24 0.00 0.00 174.94 175.65 1s6l n GLN 134 N -1.26 0.00 -2.81 0.37 6.02 -1.08 -4.92 117.38 113.70 1s6l n GLN 134 Ca -0.05 -0.72 -0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1s6l n GLN 134 Cb 0.55 -0.38 0.01 0.00 1.02 0.00 0.00 30.24 31.45 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s6l s ALA 135 N 0.00 -3.92 -0.30 -1.58 0.00 -1.26 -4.90 121.76 109.80 1s6l s ALA 135 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.65 1s6l s ALA 135 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1s6l s ALA 135 CO 0.00 -2.44 0.14 0.08 0.00 0.00 0.00 175.76 173.54 1s6l s VAL 136 N 1.60 4.50 -0.11 0.00 1.01 -1.26 -1.58 120.40 124.55 1s6l s VAL 136 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1s6l s VAL 136 Cb 0.04 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1s6l s VAL 136 CO -0.12 0.09 0.24 -0.70 0.00 0.00 0.00 175.10 174.62 1s6l s GLU 137 N 1.60 0.16 0.64 2.72 2.56 -0.44 -3.53 118.70 122.41 1s6l s GLU 137 Ca 0.04 0.64 -0.15 0.00 0.00 0.00 0.00 54.97 55.50 1s6l s GLU 137 Cb -0.17 -0.09 -0.01 0.00 2.00 0.00 0.00 34.13 35.86 1s6l s GLU 137 CO 0.06 -0.23 1.10 -2.14 -0.56 0.00 0.00 175.26 173.48 1s6l s PRO 138 N 1.91 2.92 -1.13 4.30 0.02 -1.26 -0.26 135.00 141.50 1s6l s PRO 138 Ca -0.03 1.36 -0.24 0.00 0.02 0.00 0.00 61.00 62.11 1s6l s PRO 138 Cb -0.11 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.31 1s6l s PRO 138 CO -0.08 -1.15 1.97 0.00 -0.33 0.00 0.00 177.00 177.41 1s6l n ALA 139 N -2.30 1.49 0.00 -1.55 0.00 -1.23 -1.90 120.51 115.02 1s6l n ALA 139 Ca 0.10 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.69 1s6l n ALA 139 Cb 0.52 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 5.80 0.00 3.67 0.00 0.00 -1.26 -5.15 105.19 108.25 1s6l n GLY 140 Ca 0.44 0.00 -0.31 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 1.03 0.10 1.61 0.00 -0.80 -3.88 119.30 117.37 1s6l s MET 141 Ca 0.00 1.50 0.06 0.00 0.00 0.00 0.00 55.69 57.25 1s6l s MET 141 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 34.83 33.06 1s6l s MET 141 CO 0.00 -2.61 -0.15 0.00 0.00 0.00 0.00 175.02 172.26 1s6l s ALA 142 N -2.66 1.42 0.12 3.16 0.00 0.34 -4.04 121.76 120.10 1s6l s ALA 142 Ca 0.66 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1s6l s ALA 142 Cb -0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1s6l s ALA 142 CO 0.58 0.16 -0.12 0.08 0.00 0.00 0.00 175.76 176.46 1s6l s VAL 143 N -1.68 3.21 -0.04 0.00 1.01 0.48 0.26 120.40 123.63 1s6l s VAL 143 Ca 0.05 -1.39 0.06 0.00 0.00 0.00 0.00 61.98 60.69 1s6l s VAL 143 Cb -0.07 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1s6l s VAL 143 CO 0.03 0.07 -0.21 -0.94 0.00 0.00 0.00 175.10 174.05 1s6l s SER 144 N -2.29 3.42 0.33 3.32 1.04 0.31 0.31 113.70 120.13 1s6l s SER 144 Ca 0.21 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.20 1s6l s SER 144 Cb -0.11 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1s6l s SER 144 CO 0.13 0.31 0.50 -1.48 0.98 0.00 0.00 173.24 173.68 1s6l s LEU 145 N -0.53 0.77 -0.41 2.42 0.05 0.98 -2.66 118.68 119.29 1s6l s LEU 145 Ca 0.07 -1.34 -0.08 0.00 0.05 0.00 0.00 54.13 52.84 1s6l s LEU 145 Cb -0.11 1.66 0.08 0.00 -2.05 0.00 0.00 46.19 45.77 1s6l s LEU 145 CO 0.01 -1.30 0.24 0.54 -0.55 0.00 0.00 176.35 175.28 1s6l s VAL 146 N -3.18 4.02 -0.03 1.48 0.11 -0.59 0.72 120.40 122.92 1s6l s VAL 146 Ca 0.27 -1.51 -0.11 0.00 -2.93 0.00 0.00 61.98 57.70 1s6l s VAL 146 Cb -0.01 -3.50 -0.06 0.00 -1.53 0.00 0.00 36.38 31.28 1s6l s VAL 146 CO 0.17 -0.52 0.52 -0.07 -3.33 0.00 0.00 175.10 171.87 1s6l h LEU 147 N 8.33 -0.32 -8.10 2.54 -0.00 -1.86 -3.40 115.31 112.50 1s6l h LEU 147 Ca -0.21 0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.46 1s6l h LEU 147 Cb 1.08 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.79 1s6l h LEU 147 CO 0.74 0.01 0.64 -2.16 -0.00 0.00 0.00 178.44 177.67 1s6l s PRO 148 N -2.82 2.10 -0.30 1.13 0.04 -1.26 -4.76 135.00 129.12 1s6l s PRO 148 Ca -0.06 -0.61 -0.17 0.00 0.04 0.00 0.00 61.00 60.21 1s6l s PRO 148 Cb 0.01 -5.09 0.18 0.00 0.04 0.00 0.00 34.50 29.64 1s6l s PRO 148 CO 0.17 -4.26 1.16 -0.65 0.04 0.00 0.00 177.00 173.46 1s6l s GLN 149 N 7.33 0.15 -0.08 4.56 -0.21 -1.26 -5.10 119.66 125.05 1s6l s GLN 149 Ca 0.75 0.35 -0.03 0.00 0.02 0.00 0.00 55.36 56.44 1s6l s GLN 149 Cb -0.04 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.17 1s6l s GLN 149 CO 0.11 -0.05 0.08 -1.21 -2.12 0.00 0.00 175.29 172.10 1s6l s GLU 150 N 1.93 -0.02 -1.36 2.91 2.02 -1.26 -4.86 118.70 118.05 1s6l s GLU 150 Ca -0.03 0.26 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 1s6l s GLU 150 Cb -0.03 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.33 1s6l s GLU 150 CO -0.15 -0.43 1.17 0.00 0.02 0.00 0.00 175.26 175.86 1s6l n ALA 151 N 5.30 -1.34 -1.00 5.21 0.00 -1.20 -4.89 120.51 122.58 1s6l n ALA 151 Ca -0.04 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 1s6l n ALA 151 Cb 0.50 -5.35 0.16 0.00 0.00 0.00 0.00 19.45 14.76 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 152 N -4.96 5.30 0.02 0.00 0.00 -1.26 -4.63 120.51 114.98 1s6l n ALA 152 Ca -0.00 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1s6l n ALA 152 Cb 0.56 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1s6l n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6l n ASP 153 N -0.96 -0.39 0.00 0.00 2.03 -1.26 -4.83 116.55 111.14 1s6l n ASP 153 Ca 0.54 0.38 0.00 0.00 0.52 0.00 0.00 54.79 56.23 1s6l n ASP 153 Cb 1.52 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 42.60 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 -2.75 0.00 0.00 5.18 0.24 -1.26 -5.03 118.33 114.71 1s6l n VAL 154 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1s6l n VAL 154 Cb 0.00 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1s6l n VAL 154 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1s6l n ARG 155 N -2.20 0.00 0.10 7.34 1.74 -1.26 -4.90 116.66 117.47 1s6l n ARG 155 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1s6l n ARG 155 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1s6l n ARG 155 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1s6l h GLN 156 N 0.00 0.24 -3.79 5.56 4.15 -1.98 -3.19 115.11 116.11 1s6l h GLN 156 Ca 0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1s6l h GLN 156 Cb 0.00 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1s6l h GLN 156 CO 0.00 1.19 -0.84 0.45 -1.93 0.00 0.00 178.83 177.70 1s6l n SER 157 N -3.51 -8.35 -2.55 -0.69 2.88 -1.26 -4.61 113.62 95.53 1s6l n SER 157 Ca -0.08 1.20 -0.21 0.00 -1.33 0.00 0.00 58.87 58.45 1s6l n SER 157 Cb 1.02 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 1s6l n SER 157 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1s6l n PHE 158 N 1.07 -1.25 0.16 0.66 3.72 -1.26 -4.86 117.46 115.69 1s6l n PHE 158 Ca 0.00 0.12 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1s6l n PHE 158 Cb 0.00 -4.01 0.23 0.00 -0.94 0.00 0.00 39.48 34.76 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6l n HIS 161 N -2.79 1.66 -4.43 0.00 -0.00 -1.13 -4.25 115.22 104.29 1s6l n HIS 161 Ca 0.01 -2.22 -0.34 0.00 -0.00 0.00 0.00 57.72 55.17 1s6l n HIS 161 Cb 0.54 -1.67 -0.13 0.00 -0.00 0.00 0.00 29.99 28.73 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s6l s VAL 162 N -0.87 3.44 0.34 1.59 1.01 -1.26 -4.58 120.40 120.06 1s6l s VAL 162 Ca 0.60 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 62.16 1s6l s VAL 162 Cb 0.30 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1s6l s VAL 162 CO -0.13 0.49 0.07 -1.00 0.00 0.00 0.00 175.10 174.53 1s6l s HIS 163 N 0.63 2.62 -0.09 5.22 3.76 -1.09 0.14 115.29 126.48 1s6l s HIS 163 Ca -0.04 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 1s6l s HIS 163 Cb -0.15 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1s6l s HIS 163 CO 0.03 0.42 -0.21 -0.06 -0.85 0.00 0.00 174.74 174.07 1s6l s PHE 164 N -2.47 2.27 -0.06 1.40 0.40 -1.26 0.12 117.98 118.37 1s6l s PHE 164 Ca 0.36 -0.92 -0.00 0.00 -0.60 0.00 0.00 56.93 55.76 1s6l s PHE 164 Cb -0.01 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1s6l s PHE 164 CO 0.21 -0.39 -0.03 -0.06 0.70 0.00 0.00 175.22 175.65 1s6l s PHE 165 N 0.44 3.05 0.60 0.36 0.40 0.73 -3.63 117.98 119.93 1s6l s PHE 165 Ca -0.17 0.10 0.29 0.00 -0.60 0.00 0.00 56.93 56.55 1s6l s PHE 165 Cb -0.17 -1.73 1.32 0.00 0.51 0.00 0.00 43.02 42.95 1s6l s PHE 165 CO 0.07 0.41 1.71 0.00 0.70 0.00 0.00 175.22 178.12 1s6l h ALA 166 N 5.03 2.44 -2.76 5.36 0.00 -1.90 0.98 119.26 128.41 1s6l h ALA 166 Ca -0.50 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 166 Cb 1.18 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 1s6l h ALA 166 CO 0.54 -1.06 0.31 -1.12 0.00 0.00 0.00 179.25 177.92 1s6l s SER 167 N -4.64 -0.34 0.29 0.00 0.01 -1.26 -3.52 113.70 104.23 1s6l s SER 167 Ca -0.04 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1s6l s SER 167 Cb 0.15 0.60 0.44 0.00 0.21 0.00 0.00 66.02 67.42 1s6l s SER 167 CO 0.53 -1.05 1.72 0.58 0.41 0.00 0.00 173.24 175.43 1s6l h VAL 168 N 2.00 1.27 -0.14 3.43 2.07 -1.84 1.03 116.25 124.07 1s6l h VAL 168 Ca -0.25 -1.32 -0.19 0.00 0.82 0.00 0.00 66.70 65.77 1s6l h VAL 168 Cb 1.26 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1s6l h VAL 168 CO 0.29 0.41 -0.67 -0.65 0.02 0.00 0.00 177.57 176.96 1s6l h PRO 169 N 0.35 0.58 0.05 1.57 0.11 -1.95 0.96 132.00 133.67 1s6l h PRO 169 Ca 0.05 -0.43 -0.27 0.00 0.11 0.00 0.00 66.00 65.46 1s6l h PRO 169 Cb 0.70 0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.91 1s6l h PRO 169 CO 0.05 1.05 -1.09 1.15 -0.21 0.00 0.00 178.00 178.96 1s6l h THR 170 N 0.42 1.29 -0.38 -1.15 2.02 -1.92 5.14 112.91 118.33 1s6l h THR 170 Ca -0.02 -2.31 -0.01 0.00 0.77 0.00 0.00 66.41 64.84 1s6l h THR 170 Cb 1.26 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1s6l h THR 170 CO 0.13 0.71 0.20 0.00 0.37 0.00 0.00 175.52 176.93 1s6l h ALA 171 N 0.35 0.49 0.00 6.16 0.00 0.12 1.04 119.26 127.41 1s6l h ALA 171 Ca -0.15 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.75 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1s6l h ALA 171 CO 0.21 0.02 -0.67 0.93 0.00 0.00 0.00 179.25 179.74 1s6l h GLU 172 N 0.48 0.00 0.28 0.00 4.39 0.10 0.12 114.58 119.96 1s6l h GLU 172 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1s6l h GLU 172 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1s6l h GLU 172 CO -0.02 0.67 -0.14 0.22 -1.16 0.00 0.00 179.01 178.58 1s6l h ASP 173 N 0.00 -0.32 0.29 1.42 3.58 1.11 -0.11 116.42 122.39 1s6l h ASP 173 Ca -0.01 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.46 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.58 1s6l h ASP 173 CO 0.09 0.14 -0.23 -0.25 -2.88 0.00 0.00 179.24 176.11 1s6l h TRP 174 N -0.91 0.00 -0.79 0.28 2.91 0.99 -1.88 115.95 116.56 1s6l h TRP 174 Ca -0.04 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.93 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 0.23 0.30 0.00 -1.03 0.00 0.00 178.44 177.99 1s6l h ALA 175 N 1.77 1.04 -0.73 2.65 0.00 -0.64 -2.03 119.26 121.32 1s6l h ALA 175 Ca -0.00 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1s6l h ALA 175 Cb 0.44 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1s6l h ALA 175 CO 0.03 0.67 0.29 0.77 0.00 0.00 0.00 179.25 181.01 1s6l h SER 176 N 1.15 0.29 -0.55 0.00 0.02 -0.14 0.28 113.55 114.61 1s6l h SER 176 Ca 0.26 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1s6l h SER 176 Cb 0.24 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 1s6l h SER 176 CO -0.02 0.13 0.12 0.29 -1.14 0.00 0.00 176.83 176.21 1s6l n LYS 177 N -4.98 3.68 -2.78 3.45 4.76 -1.00 -4.10 118.16 117.19 1s6l n LYS 177 Ca 0.13 -2.54 -0.01 0.00 -2.87 0.00 0.00 58.31 53.02 1s6l n LYS 177 Cb 0.37 -2.09 0.07 0.00 -1.84 0.00 0.00 35.03 31.55 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1s6l n HIS 178 N 0.20 0.33 -2.82 2.13 8.25 0.95 -5.07 115.22 119.19 1s6l n HIS 178 Ca 0.29 -2.06 -0.40 0.00 -0.26 0.00 0.00 57.72 55.28 1s6l n HIS 178 Cb 1.12 0.25 -0.05 0.00 1.12 0.00 0.00 29.99 32.44 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1s6l s GLN 179 N -2.69 4.68 0.00 -0.41 -0.21 -0.86 -3.50 119.66 116.66 1s6l s GLN 179 Ca 0.22 1.34 0.00 0.00 0.02 0.00 0.00 55.36 56.95 1s6l s GLN 179 Cb 0.36 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 31.04 1s6l s GLN 179 CO -0.06 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1s6l n GLY 180 N 2.00 3.15 1.90 3.09 0.00 -1.26 -5.03 105.19 109.04 1s6l n GLY 180 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.11 0.99 4.77 -1.23 -4.73 117.00 116.90 1s6l n LEU 181 Ca 0.00 -0.60 0.20 0.00 -0.03 0.00 0.00 56.01 55.58 1s6l n LEU 181 Cb 0.00 -0.56 0.75 0.00 -2.33 0.00 0.00 43.42 41.28 1s6l n LEU 181 CO 0.00 -1.84 1.18 -0.33 -1.33 0.00 0.00 177.39 175.06 1s6l h GLU 182 N 0.00 0.00 -2.00 3.23 5.08 -1.88 -1.63 114.58 117.38 1s6l h GLU 182 Ca -0.23 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.39 1s6l h GLU 182 Cb 0.71 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.67 1s6l h GLU 182 CO 0.14 0.00 0.73 0.41 -1.00 0.00 0.00 179.01 179.29 1s6l n GLY 183 N -1.47 5.72 0.35 -3.84 0.00 -1.26 -1.55 105.19 103.15 1s6l n GLY 183 Ca 0.07 -2.56 0.17 0.00 0.00 0.00 0.00 46.02 43.71 1s6l n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6l h LEU 184 N 3.19 0.00 -8.04 0.99 3.38 -0.01 -3.42 115.31 111.40 1s6l h LEU 184 Ca 0.51 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.15 1s6l h LEU 184 Cb 0.23 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.72 1s6l h LEU 184 CO 1.27 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 179.05 1s6l s ALA 185 N -4.75 0.59 0.27 1.53 0.00 0.22 -4.73 121.76 114.89 1s6l s ALA 185 Ca -0.05 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1s6l s ALA 185 Cb 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1s6l s ALA 185 CO 0.60 0.09 0.29 0.42 0.00 0.00 0.00 175.76 177.16 1s6l s ILE 186 N -0.59 4.47 0.17 0.00 -1.09 -1.26 -0.01 121.20 122.88 1s6l s ILE 186 Ca -0.02 -1.23 -0.24 0.00 -2.23 0.00 0.00 60.65 56.94 1s6l s ILE 186 Cb -0.05 -3.49 0.06 0.00 -1.58 0.00 0.00 42.46 37.39 1s6l s ILE 186 CO 0.00 -0.29 0.73 0.68 -1.23 0.00 0.00 174.94 174.83 1s6l s VAL 187 N -2.13 0.00 -0.08 2.92 -7.23 0.15 -4.92 120.40 109.11 1s6l s VAL 187 Ca 0.36 -0.41 -0.16 0.00 -1.81 0.00 0.00 61.98 59.96 1s6l s VAL 187 Cb -0.08 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 1s6l s VAL 187 CO 0.27 0.00 0.43 -0.44 -0.31 0.00 0.00 175.10 175.05 1s6l s SER 188 N -2.79 6.70 0.58 4.85 0.01 -1.26 0.18 113.70 121.97 1s6l s SER 188 Ca 0.06 0.83 0.15 0.00 1.31 0.00 0.00 55.95 58.30 1s6l s SER 188 Cb -0.03 -2.26 0.79 0.00 0.21 0.00 0.00 66.02 64.74 1s6l s SER 188 CO -0.04 0.14 1.40 -0.37 0.41 0.00 0.00 173.24 174.78 1s6l h VAL 189 N 4.32 0.00 -0.09 3.43 -1.51 -1.90 0.93 116.25 121.42 1s6l h VAL 189 Ca -0.45 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.86 1s6l h VAL 189 Cb 1.19 0.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1s6l h VAL 189 CO 0.70 0.00 -0.57 -0.74 -1.23 0.00 0.00 177.57 175.73 1s6l h HIS 190 N 0.00 0.75 0.00 5.19 6.17 -1.91 -2.70 115.15 122.65 1s6l h HIS 190 Ca 0.00 -0.34 -0.02 0.00 0.71 0.00 0.00 60.37 60.71 1s6l h HIS 190 Cb 1.17 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.99 1s6l h HIS 190 CO 0.00 1.13 -0.32 0.93 0.71 0.00 0.00 177.93 180.39 1s6l h GLU 191 N 0.15 0.00 0.00 5.26 5.08 0.35 -3.23 114.58 122.20 1s6l h GLU 191 Ca -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1s6l h GLU 191 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1s6l h GLU 191 CO 0.12 0.09 -0.37 0.00 -1.00 0.00 0.00 179.01 177.84 1s6l h ALA 192 N 1.90 0.90 0.00 3.43 0.00 -0.79 -2.20 119.26 122.50 1s6l h ALA 192 Ca -0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 192 Cb 1.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s6l h ALA 192 CO 0.01 0.47 -0.60 0.35 0.00 0.00 0.00 179.25 179.48 1s6l h PHE 193 N 0.00 0.00 0.01 0.00 3.57 -1.50 -1.45 116.94 117.58 1s6l h PHE 193 Ca -0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 1s6l h PHE 193 Cb 1.01 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1s6l h PHE 193 CO 0.00 0.48 -1.23 0.78 -2.23 0.00 0.00 178.31 176.12 1s6l h GLY 194 N 3.55 0.03 1.79 2.40 0.00 -1.58 0.15 103.07 109.42 1s6l h GLY 194 Ca -0.02 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1s6l h GLY 194 CO 0.06 0.08 -0.92 1.41 0.00 0.00 0.00 176.54 177.17 1s6l h LEU 195 N 0.01 0.00 0.00 3.11 3.38 -1.45 -1.91 115.31 118.45 1s6l h LEU 195 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1s6l h LEU 195 Cb 1.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1s6l h LEU 195 CO 0.12 0.76 -1.00 1.23 0.09 0.00 0.00 178.44 179.65 1s6l h GLY 196 N 3.32 0.00 1.78 0.83 0.00 -1.29 -3.23 103.07 104.48 1s6l h GLY 196 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1s6l h GLY 196 CO 0.09 0.00 -0.49 1.46 0.00 0.00 0.00 176.54 177.60 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 1.08 -0.68 -3.26 115.11 117.05 1s6l h GLN 197 Ca -0.09 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 1s6l h GLN 197 Cb 1.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.94 1s6l h GLN 197 CO 0.06 0.26 -0.47 1.49 -0.95 0.00 0.00 178.83 179.22 1s6l h GLU 198 N 0.00 0.00 -0.63 1.46 4.81 -1.41 -3.26 114.58 115.55 1s6l h GLU 198 Ca -0.02 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 1s6l h GLU 198 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1s6l h GLU 198 CO 0.04 0.47 0.45 0.74 -0.73 0.00 0.00 179.01 179.98 1s6l h PHE 199 N 0.00 0.05 0.18 0.92 -1.00 -1.60 -2.08 116.94 113.41 1s6l h PHE 199 Ca -0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1s6l h PHE 199 Cb 1.35 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.86 1s6l h PHE 199 CO 0.00 0.02 -0.28 -0.91 -1.61 0.00 0.00 178.31 175.53 1s6l h ASN 200 N 0.04 -0.79 -0.78 2.17 -0.26 -1.76 -0.24 115.58 113.96 1s6l h ASN 200 Ca 0.30 0.08 0.10 0.00 -0.56 0.00 0.00 56.30 56.23 1s6l h ASN 200 Cb 1.14 0.29 -0.07 0.00 -1.06 0.00 0.00 38.32 38.62 1s6l h ASN 200 CO -0.02 -0.38 0.42 -0.09 -1.06 0.00 0.00 177.43 176.30 1s6l h ARG 201 N -0.53 0.67 -0.51 0.81 2.43 -1.61 0.79 114.38 116.43 1s6l h ARG 201 Ca 0.02 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1s6l h ARG 201 Cb 0.53 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1s6l h ARG 201 CO -0.13 0.45 0.16 1.25 -1.51 0.00 0.00 179.97 180.19 1s6l h HIS 202 N 0.69 0.76 0.00 2.20 2.76 -1.38 0.59 115.15 120.78 1s6l h HIS 202 Ca 0.38 -0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 58.33 1s6l h HIS 202 Cb 0.40 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1s6l h HIS 202 CO -0.08 0.62 -0.92 1.25 -1.30 0.00 0.00 177.93 177.50 1s6l h LEU 203 N 0.74 0.00 0.19 0.26 7.12 0.52 -3.33 115.31 120.81 1s6l h LEU 203 Ca 0.17 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.91 1s6l h LEU 203 Cb 0.22 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.37 1s6l h LEU 203 CO -0.01 0.76 -1.24 -0.07 -0.13 0.00 0.00 178.44 177.76 1s6l h LEU 204 N 0.00 0.64-10.00 2.25 -0.00 0.10 -3.43 115.31 104.87 1s6l h LEU 204 Ca -0.05 -0.93 -0.56 0.00 -0.00 0.00 0.00 57.88 56.34 1s6l h LEU 204 Cb 1.62 -0.21 0.14 0.00 -0.00 0.00 0.00 40.66 42.22 1s6l h LEU 204 CO 0.09 1.59 0.54 0.00 -0.00 0.00 0.00 178.44 180.66 1s6l n GLN 205 N -3.89 1.60 0.02 1.13 6.02 0.20 -0.47 117.38 121.99 1s6l n GLN 205 Ca -0.17 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 1s6l n GLN 205 Cb 0.98 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1s6l n GLN 205 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1s6l n THR 206 N -1.07 0.09 -2.33 5.09 5.66 -1.26 -4.84 114.28 115.62 1s6l n THR 206 Ca 0.11 0.03 -0.02 0.00 -3.05 0.00 0.00 64.05 61.12 1s6l n THR 206 Cb 0.44 -0.92 0.03 0.00 -1.55 0.00 0.00 70.33 68.34 1s6l n THR 206 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1s6l n MET 207 N -2.85 0.44 -3.57 1.09 0.00 -1.26 -5.14 117.12 105.83 1s6l n MET 207 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 57.70 56.82 1s6l n MET 207 Cb 0.17 0.28 -0.07 0.00 0.00 0.00 0.00 33.22 33.60 1s6l n MET 207 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1s6l s SER 208 N -0.49 6.51 0.00 3.17 0.01 -1.26 -4.91 113.70 116.74 1s6l s SER 208 Ca 0.03 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1s6l s SER 208 Cb 0.14 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1s6l s SER 208 CO -0.04 0.18 0.00 -1.54 0.41 0.00 0.00 173.24 172.25 1s6l n SER 209 N 3.01 0.00 -2.44 2.44 3.41 -1.26 -5.14 113.62 113.65 1s6l n SER 209 Ca -0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.46 1s6l n SER 209 Cb 0.52 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1s6l n SER 209 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s6l n ARG 210 N -1.78 -4.99 0.09 4.33 5.12 -1.26 -4.93 116.66 113.24 1s6l n ARG 210 Ca 0.00 3.67 -0.14 0.00 -1.93 0.00 0.00 57.85 59.45 1s6l n ARG 210 Cb 0.00 -4.86 -0.11 0.00 -1.16 0.00 0.00 32.46 26.34 1s6l n ARG 210 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6l h THR 211 N 4.20 1.50 0.00 0.55 1.03 -2.04 -3.57 112.91 114.57 1s6l h THR 211 Ca -0.22 -2.92 0.00 0.00 -0.01 0.00 0.00 66.41 63.26 1s6l h THR 211 Cb 0.49 2.79 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 1s6l h THR 211 CO 0.00 0.86 0.00 -2.65 -0.01 0.00 0.00 175.52 173.72