#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 -1.07 -0.90 0.00 5.75 -1.26 -5.19 116.55 113.88 1s6l n ASP 22 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 54.79 51.96 1s6l n ASP 22 Cb 0.00 2.10 0.00 0.00 -1.03 0.00 0.00 41.12 42.19 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1s6l n LEU 23 N 0.00 0.00 -3.61 -2.12 7.94 -1.26 -5.19 117.00 112.76 1s6l n LEU 23 Ca 0.03 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.76 1s6l n LEU 23 Cb 0.54 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.42 1s6l n LEU 23 CO 0.27 0.00 0.28 -1.48 -1.11 0.00 0.00 177.39 175.36 1s6l s LEU 24 N 0.00 -0.10 0.44 -1.96 0.05 -1.26 -5.07 118.68 110.78 1s6l s LEU 24 Ca 0.00 0.47 -0.25 0.00 0.05 0.00 0.00 54.13 54.39 1s6l s LEU 24 Cb 0.00 2.07 -0.08 0.00 -2.05 0.00 0.00 46.19 46.13 1s6l s LEU 24 CO 0.00 -0.56 1.36 0.68 -0.55 0.00 0.00 176.35 177.28 1s6l s VAL 25 N -1.31 2.34 0.16 1.48 -7.23 -1.26 -4.94 120.40 109.63 1s6l s VAL 25 Ca -0.12 0.30 -0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1s6l s VAL 25 Cb -0.02 -3.17 -0.13 0.00 0.56 0.00 0.00 36.38 33.62 1s6l s VAL 25 CO 0.07 0.04 1.39 1.55 -0.31 0.00 0.00 175.10 177.84 1s6l h PRO 26 N 2.41 0.44 0.22 4.82 0.13 -2.00 -3.26 132.00 134.77 1s6l h PRO 26 Ca -0.50 -0.39 0.01 0.00 -0.87 0.00 0.00 66.00 64.25 1s6l h PRO 26 Cb 1.26 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1s6l h PRO 26 CO 0.61 1.03 -0.41 -0.07 -0.23 0.00 0.00 178.00 178.94 1s6l h LEU 27 N 0.29 -1.17 -2.10 1.56 3.38 -1.98 -0.95 115.31 114.34 1s6l h LEU 27 Ca -0.04 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1s6l h LEU 27 Cb 1.38 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1s6l h LEU 27 CO 0.14 -0.51 0.30 0.25 0.09 0.00 0.00 178.44 178.71 1s6l h LEU 28 N -0.71 0.00 0.27 1.67 6.46 -1.96 0.96 115.31 122.00 1s6l h LEU 28 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1s6l h LEU 28 Cb 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1s6l h LEU 28 CO -0.17 0.00 -0.13 -0.09 -0.62 0.00 0.00 178.44 177.43 1s6l h ARG 29 N 0.00 -0.34 0.00 1.25 2.43 -1.22 0.82 114.38 117.31 1s6l h ARG 29 Ca 0.15 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1s6l h ARG 29 Cb 0.74 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1s6l h ARG 29 CO -0.00 -0.10 -0.71 0.93 -1.51 0.00 0.00 179.97 178.58 1s6l h GLU 30 N -0.54 0.00 0.13 0.20 3.07 -0.95 -3.11 114.58 113.37 1s6l h GLU 30 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1s6l h GLU 30 Cb 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1s6l h GLU 30 CO 0.06 0.71 -0.06 1.25 -1.40 0.00 0.00 179.01 179.56 1s6l h LEU 31 N 0.00 -0.14 -2.32 1.33 6.46 0.11 -3.02 115.31 117.72 1s6l h LEU 31 Ca -0.01 -0.37 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 1s6l h LEU 31 Cb 1.49 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.45 1s6l h LEU 31 CO 0.09 0.33 0.09 0.00 -0.62 0.00 0.00 178.44 178.33 1s6l h ALA 32 N 0.10 1.70 0.00 1.25 0.00 0.57 0.34 119.26 123.21 1s6l h ALA 32 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1s6l h ALA 32 Cb 0.50 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s6l h ALA 32 CO 0.03 -0.13 -0.16 0.87 0.00 0.00 0.00 179.25 179.86 1s6l h LYS 33 N 0.00 0.00 -5.37 0.00 1.79 -1.46 -3.47 116.57 108.06 1s6l h LYS 33 Ca 0.04 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.20 1s6l h LYS 33 Cb 0.21 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.01 1s6l h LYS 33 CO -0.00 0.16 -0.70 0.41 -1.08 0.00 0.00 179.45 178.25 1s6l n GLY 34 N -0.03 -0.31 3.12 3.86 0.00 0.12 -5.03 105.19 106.92 1s6l n GLY 34 Ca -0.00 0.07 -0.16 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 0.69 -0.42 1.61 1.81 -1.25 -5.09 118.95 110.95 1s6l s ARG 35 Ca 0.07 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 52.90 1s6l s ARG 35 Cb -0.03 -0.58 -0.10 0.00 -0.45 0.00 0.00 34.95 33.79 1s6l s ARG 35 CO 0.67 0.12 2.31 -2.30 -0.68 0.00 0.00 175.30 175.42 1s6l n PRO 36 N 1.34 1.19 -3.84 3.54 -0.02 -1.26 -4.87 135.00 131.08 1s6l n PRO 36 Ca -0.22 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1s6l n PRO 36 Cb 0.54 -2.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 1s6l n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s6l s VAL 37 N 9.08 3.36 0.46 -1.45 0.11 -1.25 -5.04 120.40 125.67 1s6l s VAL 37 Ca 1.07 -1.27 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 1s6l s VAL 37 Cb -0.58 -2.92 0.10 0.00 -1.53 0.00 0.00 36.38 31.46 1s6l s VAL 37 CO 0.39 -0.14 0.63 -1.54 -3.33 0.00 0.00 175.10 171.11 1s6l n SER 38 N 4.71 0.27 0.08 3.54 3.41 -1.26 -2.50 113.62 121.86 1s6l n SER 38 Ca -0.13 -1.36 -0.15 0.00 -0.26 0.00 0.00 58.87 56.98 1s6l n SER 38 Cb 0.44 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.40 0.00 4.33 3.08 -1.97 -1.08 114.38 119.14 1s6l h ARG 39 Ca -0.20 -0.48 -0.04 0.00 0.07 0.00 0.00 59.98 59.33 1s6l h ARG 39 Cb 0.61 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1s6l h ARG 39 CO 0.16 1.15 -0.17 1.79 -1.07 0.00 0.00 179.97 181.84 1s6l h THR 40 N 0.20 0.71 0.13 2.04 1.35 -1.96 1.58 112.91 116.96 1s6l h THR 40 Ca -0.10 -0.72 -0.30 0.00 -0.55 0.00 0.00 66.41 64.74 1s6l h THR 40 Cb 1.69 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1s6l h THR 40 CO 0.18 0.17 -1.51 0.74 -0.25 0.00 0.00 175.52 174.85 1s6l h THR 41 N 0.00 0.99 -0.47 6.82 2.02 -1.93 1.03 112.91 121.38 1s6l h THR 41 Ca -0.00 -2.42 -0.04 0.00 0.77 0.00 0.00 66.41 64.71 1s6l h THR 41 Cb 0.43 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 1s6l h THR 41 CO 0.02 0.75 0.11 0.25 0.37 0.00 0.00 175.52 177.02 1s6l h LEU 42 N -0.20 0.66 -0.09 2.58 5.85 -0.85 1.82 115.31 125.08 1s6l h LEU 42 Ca -0.32 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.12 1s6l h LEU 42 Cb 1.85 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.72 1s6l h LEU 42 CO 0.09 0.66 -0.63 0.00 -0.34 0.00 0.00 178.44 178.21 1s6l h ALA 43 N 1.43 0.19 -0.05 1.25 0.00 0.22 0.10 119.26 122.41 1s6l h ALA 43 Ca 0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1s6l h ALA 43 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1s6l h ALA 43 CO -0.00 0.47 -0.38 0.78 0.00 0.00 0.00 179.25 180.12 1s6l h GLY 44 N 0.20 0.11 0.89 0.00 0.00 0.20 0.41 103.07 104.88 1s6l h GLY 44 Ca -0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 47.33 46.95 1s6l h GLY 44 CO 0.13 0.09 -0.97 -2.22 0.00 0.00 0.00 176.54 173.56 1s6l h ILE 45 N 0.09 1.42 0.00 2.60 2.04 0.28 -3.15 117.51 120.79 1s6l h ILE 45 Ca 0.01 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1s6l h ILE 45 Cb 0.71 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1s6l h ILE 45 CO 0.05 0.72 0.00 0.18 0.00 0.00 0.00 178.15 179.11 1s6l n LEU 46 N -4.01 0.00 -1.80 1.44 4.32 0.35 -4.84 117.00 112.45 1s6l n LEU 46 Ca -0.14 0.39 -0.16 0.00 -0.02 0.00 0.00 56.01 56.07 1s6l n LEU 46 Cb 0.88 -0.39 -0.05 0.00 -1.62 0.00 0.00 43.42 42.24 1s6l n LEU 46 CO 0.52 -0.04 -0.18 -0.90 -1.22 0.00 0.00 177.39 175.58 1s6l n ASP 47 N -1.39 -4.52 -4.69 -1.43 5.68 0.13 -4.93 116.55 105.40 1s6l n ASP 47 Ca 0.10 0.30 -0.32 0.00 -0.50 0.00 0.00 54.79 54.37 1s6l n ASP 47 Cb 0.26 -3.99 -0.09 0.00 -1.14 0.00 0.00 41.12 36.17 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1s6l s TRP 48 N -2.54 3.08 0.32 2.11 0.51 -0.04 -5.00 118.94 117.39 1s6l s TRP 48 Ca 0.00 0.08 -0.28 0.00 -2.12 0.00 0.00 56.10 53.78 1s6l s TRP 48 Cb 0.00 -1.66 -0.13 0.00 -0.81 0.00 0.00 33.47 30.87 1s6l s TRP 48 CO 0.00 0.47 1.22 -2.30 -0.51 0.00 0.00 176.95 175.83 1s6l n PRO 49 N 1.28 1.91 0.25 4.98 -0.02 -1.26 -4.48 135.00 137.66 1s6l n PRO 49 Ca -0.14 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1s6l n PRO 49 Cb 0.53 -2.20 0.54 0.00 -0.02 0.00 0.00 33.50 32.35 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 2.51 1.31 0.04 3.55 0.00 -1.91 0.18 119.26 124.94 1s6l h ALA 50 Ca -0.44 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 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 0.63 -0.31 -1.03 1.05 0.00 0.00 0.00 179.25 179.59 1s6l h GLU 51 N 0.00 0.15 -0.46 0.00 4.11 -1.98 -1.64 114.58 114.77 1s6l h GLU 51 Ca 0.00 -0.22 -0.11 0.00 0.07 0.00 0.00 59.36 59.10 1s6l h GLU 51 Cb 0.72 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1s6l h GLU 51 CO 0.00 1.05 -0.14 0.00 0.07 0.00 0.00 179.01 179.99 1s6l h ARG 52 N 0.06 0.90 -0.16 1.06 2.47 -0.97 0.33 114.38 118.07 1s6l h ARG 52 Ca -0.06 -0.36 -0.01 0.00 -1.26 0.00 0.00 59.98 58.29 1s6l h ARG 52 Cb 1.73 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.00 1s6l h ARG 52 CO 0.15 1.01 0.07 0.28 0.56 0.00 0.00 179.97 182.04 1s6l h VAL 53 N 0.74 1.15 -0.17 2.04 2.07 -1.55 -2.58 116.25 117.95 1s6l h VAL 53 Ca 0.11 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1s6l h VAL 53 Cb 0.69 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1s6l h VAL 53 CO 0.05 0.14 -0.15 0.00 0.02 0.00 0.00 177.57 177.62 1s6l h ALA 54 N 0.92 -0.04 -1.04 1.67 0.00 -1.00 -0.99 119.26 118.78 1s6l h ALA 54 Ca 0.05 0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.29 1s6l h ALA 54 Cb 0.16 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1s6l h ALA 54 CO -0.01 -0.59 0.65 0.00 0.00 0.00 0.00 179.25 179.30 1s6l h ALA 55 N 0.92 2.11 -0.30 0.00 0.00 -0.13 0.70 119.26 122.56 1s6l h ALA 55 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1s6l h ALA 55 Cb 0.33 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1s6l h ALA 55 CO -0.27 -0.55 0.19 0.28 0.00 0.00 0.00 179.25 178.90 1s6l h VAL 56 N 0.44 1.08 0.00 0.00 2.07 -0.78 -1.44 116.25 117.63 1s6l h VAL 56 Ca 0.62 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.82 1s6l h VAL 56 Cb 1.45 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1s6l h VAL 56 CO -0.35 0.09 -0.74 -0.07 0.02 0.00 0.00 177.57 176.52 1s6l h LEU 57 N 0.42 0.00 -2.36 2.57 -0.00 0.46 -3.01 115.31 113.39 1s6l h LEU 57 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1s6l h LEU 57 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1s6l h LEU 57 CO -0.02 0.65 0.19 -0.33 -0.00 0.00 0.00 178.44 178.93 1s6l h GLU 58 N 0.00 0.00 -0.00 1.13 5.08 -0.30 -0.55 114.58 119.94 1s6l h GLU 58 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1s6l h GLU 58 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1s6l h GLU 58 CO 0.08 0.00 -0.03 0.94 -1.00 0.00 0.00 179.01 179.00 1s6l n GLN 59 N -3.38 0.59 -3.41 2.33 7.27 -1.23 -4.78 117.38 114.77 1s6l n GLN 59 Ca -0.00 -0.61 -0.31 0.00 0.07 0.00 0.00 57.00 56.15 1s6l n GLN 59 Cb 0.28 -1.00 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l n ALA 60 N -0.00 4.21 1.43 1.69 0.00 -0.21 -4.83 120.51 122.80 1s6l n ALA 60 Ca 0.02 -4.74 0.14 0.00 0.00 0.00 0.00 53.44 48.85 1s6l n ALA 60 Cb 0.09 -1.31 0.73 0.00 0.00 0.00 0.00 19.45 18.96 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 1.22 0.09 -1.78 0.00 -2.24 -1.25 -3.34 114.28 106.97 1s6l n THR 61 Ca 0.27 0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.80 1s6l n THR 61 Cb 0.38 -0.58 0.04 0.00 -2.10 0.00 0.00 70.33 68.08 1s6l n THR 61 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s6l n SER 62 N -1.20 5.86 -4.86 3.42 7.64 -1.26 -5.01 113.62 118.21 1s6l n SER 62 Ca 0.15 -3.76 -0.37 0.00 1.01 0.00 0.00 58.87 55.90 1s6l n SER 62 Cb 0.18 -0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 1s6l n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1s6l s THR 63 N -4.67 5.25 -0.06 0.44 2.01 -1.21 -5.06 115.64 112.33 1s6l s THR 63 Ca 0.56 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 1s6l s THR 63 Cb 0.44 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1s6l s THR 63 CO 0.02 0.52 1.05 -1.61 -0.69 0.00 0.00 174.62 173.91 1s6l s GLU 64 N -1.28 4.44 0.29 4.92 0.41 -1.26 -5.04 118.70 121.17 1s6l s GLU 64 Ca 0.23 1.47 0.11 0.00 -0.41 0.00 0.00 54.97 56.37 1s6l s GLU 64 Cb -0.14 -3.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.64 1s6l s GLU 64 CO 0.11 -0.28 -0.17 0.71 -0.49 0.00 0.00 175.26 175.14 1s6l s TYR 65 N 1.79 2.34 -0.10 1.61 2.02 -1.26 -3.10 117.35 120.64 1s6l s TYR 65 Ca 0.51 -0.35 -0.21 0.00 -0.37 0.00 0.00 57.07 56.65 1s6l s TYR 65 Cb -0.21 -1.07 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 1s6l s TYR 65 CO 0.21 0.69 0.50 -0.51 -1.57 0.00 0.00 175.55 174.88 1s6l s ASP 66 N -3.54 -0.47 0.97 2.29 1.11 -1.05 -4.86 116.67 111.13 1s6l s ASP 66 Ca 0.31 0.68 0.00 0.00 0.18 0.00 0.00 52.55 53.71 1s6l s ASP 66 Cb -0.04 0.70 0.00 0.00 1.07 0.00 0.00 42.92 44.66 1s6l s ASP 66 CO 0.16 -0.37 0.00 1.17 1.18 0.00 0.00 175.17 177.30 1s6l n LYS 67 N 1.85 0.00 0.04 8.23 3.00 -1.26 -1.81 118.16 128.21 1s6l n LYS 67 Ca -0.17 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.25 1s6l n LYS 67 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.72 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1s6l n ASP 68 N 8.70 0.64 0.00 3.14 9.92 -1.26 -4.91 116.55 132.77 1s6l n ASP 68 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1s6l n ASP 68 Cb 0.00 0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6l n GLY 69 N 1.37 1.71 3.94 0.44 0.00 -0.75 -5.15 105.19 106.76 1s6l n GLY 69 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.72 4.93 -0.29 1.61 0.01 -1.07 -4.72 114.94 113.69 1s6l s ASN 70 Ca 0.00 0.34 -0.29 0.00 -0.71 0.00 0.00 52.86 52.20 1s6l s ASN 70 Cb 0.00 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.63 1s6l s ASN 70 CO 0.00 -1.49 1.08 -0.63 -1.51 0.00 0.00 177.10 174.56 1s6l s ILE 71 N -3.13 4.53 -0.09 0.60 1.01 -1.04 -2.52 121.20 120.56 1s6l s ILE 71 Ca 0.59 1.79 0.15 0.00 0.00 0.00 0.00 60.65 63.18 1s6l s ILE 71 Cb -0.11 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 1s6l s ILE 71 CO 0.43 -0.40 0.78 -0.29 0.00 0.00 0.00 174.94 175.47 1s6l h ILE 72 N 5.66 0.64 0.00 2.92 2.10 -1.87 -3.34 117.51 123.62 1s6l h ILE 72 Ca -0.20 -2.26 0.00 0.00 1.08 0.00 0.00 64.86 63.47 1s6l h ILE 72 Cb 1.06 2.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 1s6l h ILE 72 CO 1.02 0.36 0.00 0.61 -1.08 0.00 0.00 178.15 179.06 1s6l n GLY 73 N 1.45 2.50 4.02 8.18 0.00 -1.26 -4.90 105.19 115.17 1s6l n GLY 73 Ca -0.12 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1s6l n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6l s TYR 74 N -0.91 1.68 0.00 1.61 5.04 -1.26 -4.63 117.35 118.88 1s6l s TYR 74 Ca 0.00 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1s6l s TYR 74 Cb 0.00 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 40.10 1s6l s TYR 74 CO 0.00 -0.96 0.00 0.41 -1.34 0.00 0.00 175.55 173.66 1s6l n GLY 75 N -2.12 2.67 3.85 8.97 0.00 -1.26 -5.02 105.19 112.27 1s6l n GLY 75 Ca 0.13 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1s6l n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 76 N 0.00 3.56 0.13 0.99 1.02 -1.26 -4.99 118.68 118.12 1s6l s LEU 76 Ca 0.00 1.55 0.04 0.00 0.02 0.00 0.00 54.13 55.74 1s6l s LEU 76 Cb 0.00 -4.50 -0.04 0.00 0.02 0.00 0.00 46.19 41.67 1s6l s LEU 76 CO 0.00 -0.64 -0.10 0.42 0.02 0.00 0.00 176.35 176.05 1s6l s THR 77 N -2.72 1.06 -2.11 5.49 -4.23 -1.26 -5.03 115.64 106.84 1s6l s THR 77 Ca 0.58 -1.96 0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1s6l s THR 77 Cb -0.10 -1.73 0.41 0.00 1.34 0.00 0.00 72.50 72.41 1s6l s THR 77 CO 0.35 -0.73 1.50 0.18 -0.54 0.00 0.00 174.62 175.39 1s6l n LEU 78 N -0.02 0.94 -4.53 4.79 4.77 -1.26 -4.77 117.00 116.91 1s6l n LEU 78 Ca -0.12 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.03 1s6l n LEU 78 Cb 0.60 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1s6l n LEU 78 CO 0.31 0.21 0.15 -0.13 -1.33 0.00 0.00 177.39 176.59 1s6l s ARG 79 N -1.85 3.43 0.62 3.23 1.81 -1.26 -4.93 118.95 120.00 1s6l s ARG 79 Ca 0.26 -0.42 0.32 0.00 -1.72 0.00 0.00 55.73 54.16 1s6l s ARG 79 Cb 0.13 -3.86 1.76 0.00 -0.45 0.00 0.00 34.95 32.52 1s6l s ARG 79 CO 0.20 -0.70 2.07 1.05 -0.68 0.00 0.00 175.30 177.24 1s6l h GLU 80 N 8.57 0.00 0.00 3.54 9.09 -1.94 -3.40 114.58 130.43 1s6l h GLU 80 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 1s6l h GLU 80 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1s6l h GLU 80 CO 0.76 0.00 0.00 0.25 0.05 0.00 0.00 179.01 180.07 1s6l n THR 81 N -3.41 0.00 -0.05 -1.06 -2.24 -1.26 -4.57 114.28 101.69 1s6l n THR 81 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1s6l n THR 81 Cb 0.34 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.13 1.20 -4.62 3.42 7.64 -1.26 -4.91 113.62 111.96 1s6l n SER 82 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1s6l n SER 82 Cb 0.00 1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.69 3.20 -0.03 1.43 1.51 -1.26 -4.67 117.35 114.84 1s6l s TYR 83 Ca -0.07 0.89 0.01 0.00 -1.01 0.00 0.00 57.07 56.89 1s6l s TYR 83 Cb 0.07 -3.28 -0.03 0.00 -0.11 0.00 0.00 41.96 38.61 1s6l s TYR 83 CO 0.65 -0.59 -0.03 0.08 -1.11 0.00 0.00 175.55 174.55 1s6l s VAL 84 N 3.06 3.94 -0.25 0.71 1.01 -0.71 -1.05 120.40 127.12 1s6l s VAL 84 Ca 0.34 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1s6l s VAL 84 Cb -0.14 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.62 1s6l s VAL 84 CO 0.13 0.48 0.02 0.12 0.00 0.00 0.00 175.10 175.85 1s6l s PHE 85 N -0.96 1.82 -0.22 5.22 5.36 0.19 -0.57 117.98 128.82 1s6l s PHE 85 Ca 0.16 -1.51 -0.11 0.00 -0.96 0.00 0.00 56.93 54.52 1s6l s PHE 85 Cb -0.11 -1.49 -0.05 0.00 -0.34 0.00 0.00 43.02 41.03 1s6l s PHE 85 CO 0.06 -0.75 0.17 -1.21 -1.46 0.00 0.00 175.22 172.03 1s6l s GLU 86 N 1.59 4.11 -0.06 10.12 2.02 0.35 0.13 118.70 136.96 1s6l s GLU 86 Ca 0.01 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1s6l s GLU 86 Cb -0.18 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.57 1s6l s GLU 86 CO -0.12 0.12 -0.01 0.96 0.02 0.00 0.00 175.26 176.24 1s6l s ILE 87 N 0.87 0.39 0.00 -1.63 -4.36 -0.90 0.14 121.20 115.71 1s6l s ILE 87 Ca 0.09 0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.55 1s6l s ILE 87 Cb -0.13 -0.52 0.00 0.00 1.25 0.00 0.00 42.46 43.06 1s6l s ILE 87 CO 0.03 0.24 0.00 -0.67 0.24 0.00 0.00 174.94 174.78 1s6l n ASP 88 N 4.84 0.00 -1.56 4.36 2.03 -1.25 -0.87 116.55 124.10 1s6l n ASP 88 Ca -0.12 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.16 1s6l n ASP 88 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.20 -0.78 -3.68 1.67 2.03 -1.26 -5.11 116.55 109.62 1s6l n ASP 89 Ca 0.00 -1.52 -0.25 0.00 0.52 0.00 0.00 54.79 53.54 1s6l n ASP 89 Cb 0.00 0.32 -0.17 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.31 -0.17 -0.67 1.81 -0.05 -5.12 118.95 115.11 1s6l s ARG 90 Ca 0.03 -0.08 -0.29 0.00 -1.72 0.00 0.00 55.73 53.67 1s6l s ARG 90 Cb 0.15 -1.57 -0.00 0.00 -0.45 0.00 0.00 34.95 33.08 1s6l s ARG 90 CO -0.04 -0.55 1.09 -0.98 -0.68 0.00 0.00 175.30 174.14 1s6l s ARG 91 N 2.03 4.30 0.34 3.54 3.03 -1.26 -2.13 118.95 128.80 1s6l s ARG 91 Ca 0.02 1.46 0.09 0.00 2.03 0.00 0.00 55.73 59.33 1s6l s ARG 91 Cb -0.15 -3.63 -0.05 0.00 -1.03 0.00 0.00 34.95 30.09 1s6l s ARG 91 CO -0.07 -0.55 0.04 -0.51 -1.13 0.00 0.00 175.30 173.08 1s6l s LEU 92 N 2.86 3.05 0.25 -1.89 2.01 0.34 -4.95 118.68 120.35 1s6l s LEU 92 Ca 0.48 -0.93 0.05 0.00 0.01 0.00 0.00 54.13 53.74 1s6l s LEU 92 Cb -0.18 -1.45 -0.05 0.00 0.01 0.00 0.00 46.19 44.51 1s6l s LEU 92 CO 0.12 -0.24 -0.03 -0.31 1.01 0.00 0.00 176.35 176.90 1s6l s TYR 93 N -2.49 1.70 0.24 0.29 2.02 -1.26 0.54 117.35 118.39 1s6l s TYR 93 Ca 0.35 -0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 56.09 1s6l s TYR 93 Cb -0.01 -0.97 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1s6l s TYR 93 CO 0.20 0.09 0.49 0.00 -1.57 0.00 0.00 175.55 174.76 1s6l s ALA 94 N -3.26 -0.39 -0.17 3.71 0.00 -0.21 -4.54 121.76 116.90 1s6l s ALA 94 Ca 0.28 -0.75 0.22 0.00 0.00 0.00 0.00 51.96 51.71 1s6l s ALA 94 Cb 0.05 1.01 -0.16 0.00 0.00 0.00 0.00 23.12 24.02 1s6l s ALA 94 CO 0.09 -0.85 0.78 0.91 0.00 0.00 0.00 175.76 176.69 1s6l n TRP 95 N -0.37 0.47 -3.90 0.00 7.02 -1.26 -4.05 117.44 115.34 1s6l n TRP 95 Ca -0.03 0.14 -0.09 0.00 -1.02 0.00 0.00 57.50 56.49 1s6l n TRP 95 Cb 0.62 -0.71 -0.05 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 2.34 1.85 0.00 0.00 0.00 -1.53 -2.12 119.26 119.79 1s6l h ALA 97 Ca -0.29 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1s6l h ALA 97 Cb 1.25 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 97 CO 0.41 -0.60 -0.73 1.25 0.00 0.00 0.00 179.25 179.57 1s6l h LEU 98 N 0.00 0.00 -1.79 0.00 5.85 -1.93 -3.36 115.31 114.09 1s6l h LEU 98 Ca 0.13 -0.57 0.36 0.00 0.84 0.00 0.00 57.88 58.64 1s6l h LEU 98 Cb 1.05 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1s6l h LEU 98 CO -0.00 1.21 1.02 0.44 -0.34 0.00 0.00 178.44 180.77 1s6l h ASP 99 N -1.00 0.00 -0.94 1.25 3.32 -1.78 0.43 116.42 117.70 1s6l h ASP 99 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1s6l h ASP 99 Cb 1.05 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1s6l h ASP 99 CO -0.11 0.00 0.59 0.71 -1.72 0.00 0.00 179.24 178.71 1s6l h THR 100 N 0.00 1.25 -4.62 0.35 1.35 -1.68 -3.45 112.91 106.11 1s6l h THR 100 Ca 0.59 -0.50 -0.21 0.00 -0.55 0.00 0.00 66.41 65.74 1s6l h THR 100 Cb 2.62 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1s6l h THR 100 CO -0.01 0.25 -0.11 0.00 -0.25 0.00 0.00 175.52 175.41 1s6l n LEU 101 N -4.37 0.00 0.00 3.87 -0.00 0.15 -4.77 117.00 111.88 1s6l n LEU 101 Ca 0.11 -1.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.08 1s6l n LEU 101 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1s6l n LEU 101 CO 0.37 -0.35 0.00 0.00 -0.00 0.00 0.00 177.39 177.42 1s6l n ILE 102 N -0.90 0.00 -2.74 1.47 0.13 -1.26 -4.96 119.36 111.10 1s6l n ILE 102 Ca -0.02 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.58 1s6l n ILE 102 Cb 0.22 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 39.05 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1s6l n PHE 103 N -1.57 -3.12 -0.02 9.51 3.72 -1.26 -5.02 117.46 119.70 1s6l n PHE 103 Ca 0.00 -1.36 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 1s6l n PHE 103 Cb 0.00 1.44 0.31 0.00 -0.94 0.00 0.00 39.48 40.29 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1s6l h PRO 104 N 4.47 0.58 0.00 -1.08 0.11 -1.91 -0.14 132.00 134.03 1s6l h PRO 104 Ca -0.03 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.90 1s6l h PRO 104 Cb 1.10 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1s6l h PRO 104 CO 0.08 0.54 -0.35 0.00 -0.21 0.00 0.00 178.00 178.06 1s6l h ALA 105 N 1.54 0.79 0.19 -0.75 0.00 -1.79 -3.25 119.26 115.98 1s6l h ALA 105 Ca 0.13 -0.32 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 1s6l h ALA 105 Cb 0.23 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1s6l h ALA 105 CO -0.00 0.44 -1.66 1.25 0.00 0.00 0.00 179.25 179.27 1s6l h LEU 106 N 0.00 0.63 -0.47 0.00 6.46 -1.79 -3.35 115.31 116.79 1s6l h LEU 106 Ca -0.00 -0.86 0.03 0.00 -0.12 0.00 0.00 57.88 56.92 1s6l h LEU 106 Cb 1.23 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 1s6l h LEU 106 CO 0.05 1.72 0.25 -0.29 -0.62 0.00 0.00 178.44 179.54 1s6l h ILE 107 N 0.11 1.00 0.00 4.05 6.09 -1.12 -3.47 117.51 124.16 1s6l h ILE 107 Ca -0.31 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1s6l h ILE 107 Cb 2.10 0.45 0.00 0.00 0.47 0.00 0.00 36.82 39.85 1s6l h ILE 107 CO 0.20 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 175.98 1s6l n GLY 108 N -1.23 1.19 3.57 8.18 0.00 -1.23 -5.09 105.19 110.59 1s6l n GLY 108 Ca 0.03 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 1.74 0.52 1.61 6.06 -1.26 -5.05 118.95 121.68 1s6l s ARG 109 Ca 0.00 -1.45 -0.15 0.00 -2.50 0.00 0.00 55.73 51.63 1s6l s ARG 109 Cb 0.00 0.48 -0.07 0.00 0.06 0.00 0.00 34.95 35.41 1s6l s ARG 109 CO 0.00 -0.73 0.97 0.99 -2.50 0.00 0.00 175.30 174.03 1s6l s THR 110 N -3.52 4.58 -0.18 4.11 2.01 -1.26 -4.24 115.64 117.14 1s6l s THR 110 Ca 0.25 1.11 -0.04 0.00 0.31 0.00 0.00 61.69 63.31 1s6l s THR 110 Cb -0.01 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.82 1s6l s THR 110 CO 0.13 -0.74 0.06 0.00 -0.69 0.00 0.00 174.62 173.38 1s6l s ALA 111 N -2.68 0.73 -0.24 7.40 0.00 0.33 -3.96 121.76 123.34 1s6l s ALA 111 Ca 0.58 -0.53 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1s6l s ALA 111 Cb -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1s6l s ALA 111 CO 0.35 -1.18 0.96 1.03 0.00 0.00 0.00 175.76 176.91 1s6l s ARG 112 N 1.99 4.22 -0.13 0.00 0.52 0.38 0.14 118.95 126.06 1s6l s ARG 112 Ca 0.01 1.18 -0.01 0.00 -0.52 0.00 0.00 55.73 56.39 1s6l s ARG 112 Cb -0.17 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1s6l s ARG 112 CO -0.09 -0.60 -0.11 0.08 0.02 0.00 0.00 175.30 174.60 1s6l s VAL 113 N 3.09 3.28 -0.03 3.52 1.01 0.26 0.13 120.40 131.66 1s6l s VAL 113 Ca 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1s6l s VAL 113 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1s6l s VAL 113 CO 0.07 0.52 -0.23 -0.94 0.00 0.00 0.00 175.10 174.52 1s6l s SER 114 N 0.32 2.76 0.25 3.32 1.04 0.27 0.13 113.70 121.79 1s6l s SER 114 Ca -0.09 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1s6l s SER 114 Cb -0.15 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 1s6l s SER 114 CO 0.05 0.25 0.22 -0.44 0.98 0.00 0.00 173.24 174.30 1s6l s SER 115 N -0.34 0.59 -0.02 7.02 0.01 0.51 -1.73 113.70 119.74 1s6l s SER 115 Ca 0.03 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.11 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.01 -0.95 -0.05 -1.00 0.41 0.00 0.00 173.24 171.66 1s6l s HIS 116 N -3.89 0.60 0.17 2.43 3.76 -1.26 0.11 115.29 117.20 1s6l s HIS 116 Ca 0.38 -0.13 -0.32 0.00 -0.15 0.00 0.00 55.06 54.84 1s6l s HIS 116 Cb 0.05 -0.48 -0.11 0.00 1.11 0.00 0.00 32.58 33.15 1s6l s HIS 116 CO 0.17 -0.09 1.68 0.00 -0.85 0.00 0.00 174.74 175.64 1s6l n ALA 118 N 4.38 1.84 0.00 0.00 0.00 -1.24 -0.09 120.51 125.39 1s6l n ALA 118 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1s6l n ALA 118 Cb 0.37 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.28 3.00 0.05 0.00 0.00 -1.26 -4.79 120.51 116.23 1s6l n ALA 119 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1s6l n ALA 119 Cb 0.11 0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 0.40 0.00 0.00 2.02 -1.95 -3.48 112.91 109.90 1s6l h THR 120 Ca 0.00 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1s6l h THR 120 Cb 0.92 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1s6l h THR 120 CO 0.00 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.73 1s6l n GLY 121 N 1.34 0.49 3.70 2.16 0.00 0.87 -4.92 105.19 108.83 1s6l n GLY 121 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 1.04 -2.61 4.61 0.00 -1.26 -4.30 120.51 119.00 1s6l n ALA 122 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1s6l n ALA 122 Cb 0.09 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 -2.92 3.43 -0.00 0.00 0.05 -1.26 -1.20 135.00 133.11 1s6l s PRO 123 Ca 0.75 0.04 -0.01 0.00 0.05 0.00 0.00 61.00 61.83 1s6l s PRO 123 Cb -0.42 -4.04 -0.04 0.00 0.05 0.00 0.00 34.50 30.06 1s6l s PRO 123 CO 0.47 -1.63 0.11 0.14 0.05 0.00 0.00 177.00 176.13 1s6l s VAL 124 N 4.62 4.90 -0.16 -0.36 -7.23 0.29 -4.25 120.40 118.21 1s6l s VAL 124 Ca 0.38 -0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 1s6l s VAL 124 Cb -0.09 -3.26 0.05 0.00 0.56 0.00 0.00 36.38 33.64 1s6l s VAL 124 CO 0.23 0.34 0.47 -0.94 -0.31 0.00 0.00 175.10 174.89 1s6l s SER 125 N -1.80 -0.48 0.06 4.85 1.04 0.30 0.19 113.70 117.86 1s6l s SER 125 Ca 0.24 0.88 0.02 0.00 0.48 0.00 0.00 55.95 57.56 1s6l s SER 125 Cb -0.12 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 66.87 1s6l s SER 125 CO 0.15 -0.21 -0.07 -0.76 0.98 0.00 0.00 173.24 173.34 1s6l s LEU 126 N 0.05 2.34 -0.34 2.42 2.01 0.35 -1.34 118.68 124.18 1s6l s LEU 126 Ca -0.02 -0.71 -0.09 0.00 0.01 0.00 0.00 54.13 53.32 1s6l s LEU 126 Cb -0.03 -0.08 0.02 0.00 0.01 0.00 0.00 46.19 46.10 1s6l s LEU 126 CO 0.01 -0.32 0.16 -0.89 1.01 0.00 0.00 176.35 176.32 1s6l s THR 127 N -2.22 4.37 -0.39 5.49 2.01 -0.91 0.90 115.64 124.90 1s6l s THR 127 Ca -0.03 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 1s6l s THR 127 Cb -0.04 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1s6l s THR 127 CO -0.02 -0.08 0.44 -0.69 -0.69 0.00 0.00 174.62 173.57 1s6l s VAL 128 N 1.54 5.08 0.43 3.82 1.01 0.38 -2.28 120.40 130.39 1s6l s VAL 128 Ca 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1s6l s VAL 128 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1s6l s VAL 128 CO 0.05 -0.33 0.42 -0.44 0.00 0.00 0.00 175.10 174.80 1s6l s SER 129 N 1.80 5.08 0.54 3.32 0.01 0.13 0.12 113.70 124.70 1s6l s SER 129 Ca 0.13 -0.76 0.35 0.00 1.31 0.00 0.00 55.95 56.99 1s6l s SER 129 Cb -0.17 -0.47 1.60 0.00 0.21 0.00 0.00 66.02 67.19 1s6l s SER 129 CO 0.13 -0.73 2.04 1.55 0.41 0.00 0.00 173.24 176.65 1s6l h PRO 130 N 0.93 0.00 0.00 12.44 0.13 -1.74 -3.20 132.00 140.57 1s6l h PRO 130 Ca -0.40 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.54 1s6l h PRO 130 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 130 CO 0.55 0.00 -1.73 0.43 -0.23 0.00 0.00 178.00 177.02 1s6l n SER 131 N -2.96 2.31 0.00 1.44 7.64 -1.26 -4.42 113.62 116.37 1s6l n SER 131 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1s6l n SER 131 Cb 0.23 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.37 -0.20 -3.12 1.43 0.28 -1.21 -5.16 120.64 110.29 1s6l n GLU 132 Ca -0.17 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.61 1s6l n GLU 132 Cb 0.82 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.70 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 4.24 0.00 3.84 -4.36 -1.26 0.22 121.20 120.88 1s6l s ILE 133 Ca 0.00 -0.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.85 1s6l s ILE 133 Cb 0.00 -3.55 0.02 0.00 1.25 0.00 0.00 42.46 40.17 1s6l s ILE 133 CO 0.00 -0.36 0.71 0.00 0.24 0.00 0.00 174.94 175.53 1s6l n GLN 134 N -1.97 0.00 -2.81 0.37 6.02 -0.97 -4.90 117.38 113.13 1s6l n GLN 134 Ca -0.00 -0.45 -0.00 0.00 -0.01 0.00 0.00 57.00 56.53 1s6l n GLN 134 Cb 0.57 -0.12 0.01 0.00 1.02 0.00 0.00 30.24 31.73 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 -0.43 -1.58 0.00 -1.26 -4.87 121.76 109.70 1s6l s ALA 135 Ca 0.01 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1s6l s ALA 135 Cb 0.01 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.24 1s6l s ALA 135 CO -0.01 -2.44 0.31 0.08 0.00 0.00 0.00 175.76 173.71 1s6l s VAL 136 N 1.57 5.01 -0.13 0.00 1.01 -1.26 -2.13 120.40 124.47 1s6l s VAL 136 Ca 0.19 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1s6l s VAL 136 Cb 0.04 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1s6l s VAL 136 CO -0.12 -0.42 0.26 -1.61 0.00 0.00 0.00 175.10 173.22 1s6l s GLU 137 N 1.61 0.15 0.38 2.72 2.02 -0.45 -3.25 118.70 121.89 1s6l s GLU 137 Ca 0.04 0.74 -0.24 0.00 0.02 0.00 0.00 54.97 55.52 1s6l s GLU 137 Cb -0.21 -0.06 -0.09 0.00 0.10 0.00 0.00 34.13 33.86 1s6l s GLU 137 CO 0.07 -0.29 1.02 -1.25 0.02 0.00 0.00 175.26 174.83 1s6l s PRO 138 N 2.42 4.26 1.04 0.39 0.04 -1.26 0.11 135.00 142.00 1s6l s PRO 138 Ca 0.01 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1s6l s PRO 138 Cb -0.12 -2.57 0.22 0.00 0.04 0.00 0.00 34.50 32.07 1s6l s PRO 138 CO -0.09 -0.04 1.08 0.00 0.04 0.00 0.00 177.00 177.99 1s6l s ALA 139 N -1.69 0.45 -0.46 8.56 0.00 -1.20 -3.20 121.76 124.21 1s6l s ALA 139 Ca 0.56 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1s6l s ALA 139 Cb -0.20 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1s6l s ALA 139 CO 0.26 -3.29 0.00 0.41 0.00 0.00 0.00 175.76 173.14 1s6l n GLY 140 N 0.35 0.58 3.69 0.00 0.00 -1.26 -4.86 105.19 103.68 1s6l n GLY 140 Ca 0.07 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.90 1.41 0.10 1.61 0.00 -1.20 -3.30 119.30 116.01 1s6l s MET 141 Ca 0.00 1.60 0.05 0.00 0.00 0.00 0.00 55.69 57.34 1s6l s MET 141 Cb 0.00 -1.77 -0.03 0.00 0.00 0.00 0.00 34.83 33.03 1s6l s MET 141 CO 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 175.02 172.52 1s6l s ALA 142 N -2.47 1.33 0.12 3.16 0.00 0.32 -4.06 121.76 120.17 1s6l s ALA 142 Ca 0.69 -1.15 0.07 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 142 Cb -0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1s6l s ALA 142 CO 0.54 0.13 -0.06 0.08 0.00 0.00 0.00 175.76 176.45 1s6l s VAL 143 N -1.72 3.53 -0.01 0.00 1.01 0.47 0.23 120.40 123.92 1s6l s VAL 143 Ca 0.04 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.81 1s6l s VAL 143 Cb -0.07 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1s6l s VAL 143 CO 0.02 0.05 -0.26 -0.94 0.00 0.00 0.00 175.10 173.98 1s6l s SER 144 N -2.42 3.04 0.17 3.32 1.04 0.28 0.28 113.70 119.41 1s6l s SER 144 Ca 0.24 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.27 1s6l s SER 144 Cb -0.11 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 1s6l s SER 144 CO 0.16 0.31 -0.20 -0.22 0.98 0.00 0.00 173.24 174.27 1s6l s LEU 145 N -0.71 2.43 0.21 2.42 2.96 0.11 -2.54 118.68 123.55 1s6l s LEU 145 Ca 0.10 -0.85 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1s6l s LEU 145 Cb -0.10 -0.90 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 1s6l s LEU 145 CO -0.00 0.00 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.18 1s6l s VAL 146 N -1.92 1.83 0.18 1.68 1.01 -1.26 -0.75 120.40 121.18 1s6l s VAL 146 Ca 0.16 -2.20 -0.09 0.00 0.00 0.00 0.00 61.98 59.86 1s6l s VAL 146 Cb -0.06 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 1s6l s VAL 146 CO 0.07 -0.54 0.49 -0.76 0.00 0.00 0.00 175.10 174.36 1s6l s LEU 147 N -3.25 4.24 0.55 3.92 1.43 -1.26 -4.83 118.68 119.47 1s6l s LEU 147 Ca 0.22 0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 53.97 1s6l s LEU 147 Cb -0.02 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1s6l s LEU 147 CO 0.08 0.01 1.17 -2.16 0.23 0.00 0.00 176.35 175.69 1s6l s PRO 148 N -2.55 3.25 0.11 1.29 0.04 -1.26 -4.96 135.00 130.92 1s6l s PRO 148 Ca 0.43 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1s6l s PRO 148 Cb -0.12 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1s6l s PRO 148 CO 0.21 -0.96 0.09 0.94 0.04 0.00 0.00 177.00 177.32 1s6l n GLN 149 N -1.29 1.29 -0.01 4.56 7.27 -1.26 -5.06 117.38 122.88 1s6l n GLN 149 Ca 0.12 -0.68 0.05 0.00 0.07 0.00 0.00 57.00 56.56 1s6l n GLN 149 Cb 0.50 0.06 -0.08 0.00 2.41 0.00 0.00 30.24 33.13 1s6l n GLN 149 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1s6l n GLU 150 N -0.81 0.45 -2.25 3.69 4.71 -1.26 -4.64 120.64 120.54 1s6l n GLU 150 Ca -0.00 -0.09 -0.35 0.00 -0.01 0.00 0.00 57.16 56.71 1s6l n GLU 150 Cb 0.12 -1.26 0.02 0.00 -1.01 0.00 0.00 31.44 29.32 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s6l n ALA 151 N -1.90 5.87 -3.29 0.62 0.00 -1.26 -4.98 120.51 115.57 1s6l n ALA 151 Ca -0.03 -4.28 0.03 0.00 0.00 0.00 0.00 53.44 49.16 1s6l n ALA 151 Cb 0.31 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.45 -0.87 -3.14 0.00 0.00 -1.26 -4.99 120.51 109.80 1s6l n ALA 152 Ca 0.47 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.36 1s6l n ALA 152 Cb 0.39 0.18 0.05 0.00 0.00 0.00 0.00 19.45 20.06 1s6l n ALA 152 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s6l n ASP 153 N -0.79 -6.06 -0.06 0.00 9.92 -1.10 -4.89 116.55 113.56 1s6l n ASP 153 Ca -0.01 -0.34 -0.09 0.00 -0.53 0.00 0.00 54.79 53.83 1s6l n ASP 153 Cb 0.19 -4.83 -0.06 0.00 -0.64 0.00 0.00 41.12 35.77 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1s6l n VAL 154 N -4.60 0.74 0.10 2.53 0.24 -1.26 -4.96 118.33 111.12 1s6l n VAL 154 Ca -0.08 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1s6l n VAL 154 Cb 0.60 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 -2.82 0.00 -2.70 7.34 1.74 -1.26 -5.08 116.66 113.88 1s6l n ARG 155 Ca -0.22 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.84 1s6l n ARG 155 Cb 0.76 -0.22 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 1s6l n ARG 155 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1s6l s GLN 156 N -1.96 0.19 -0.30 5.56 0.74 -1.26 -5.14 119.66 117.49 1s6l s GLN 156 Ca 0.00 -0.15 -0.17 0.00 0.05 0.00 0.00 55.36 55.09 1s6l s GLN 156 Cb 0.00 0.00 0.19 0.00 1.10 0.00 0.00 33.01 34.30 1s6l s GLN 156 CO 0.00 -0.25 1.18 0.45 -0.55 0.00 0.00 175.29 176.12 1s6l s SER 157 N 1.32 -0.21 -1.32 6.67 0.15 -1.26 -4.98 113.70 114.08 1s6l s SER 157 Ca 0.20 0.32 -0.08 0.00 0.70 0.00 0.00 55.95 57.09 1s6l s SER 157 Cb 0.10 1.14 0.01 0.00 -1.71 0.00 0.00 66.02 65.56 1s6l s SER 157 CO -0.12 -0.05 1.15 0.33 1.20 0.00 0.00 173.24 175.75 1s6l n PHE 158 N 3.73 -2.79 0.18 3.44 -0.00 -1.26 -2.70 117.46 118.06 1s6l n PHE 158 Ca -0.14 0.99 0.07 0.00 -0.00 0.00 0.00 57.45 58.37 1s6l n PHE 158 Cb 0.56 -4.95 0.58 0.00 -0.00 0.00 0.00 39.48 35.68 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1s6l n HIS 161 N -1.61 -2.53 -4.11 0.00 -0.00 -1.26 -4.02 115.22 101.70 1s6l n HIS 161 Ca 0.00 0.95 -0.35 0.00 -0.00 0.00 0.00 57.72 58.32 1s6l n HIS 161 Cb 0.00 -3.84 -0.13 0.00 -0.00 0.00 0.00 29.99 26.01 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 -3.08 3.55 0.40 1.59 1.01 -1.26 -3.98 120.40 118.62 1s6l s VAL 162 Ca 0.10 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1s6l s VAL 162 Cb -0.01 -2.59 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 1s6l s VAL 162 CO 0.66 0.44 0.08 -2.28 0.00 0.00 0.00 175.10 174.00 1s6l s HIS 163 N 1.11 2.56 -0.08 5.22 2.46 -1.05 -1.30 115.29 124.20 1s6l s HIS 163 Ca 0.02 -0.60 0.05 0.00 0.47 0.00 0.00 55.06 54.99 1s6l s HIS 163 Cb -0.15 -1.81 -0.00 0.00 -0.13 0.00 0.00 32.58 30.49 1s6l s HIS 163 CO -0.00 0.35 -0.24 -0.06 -2.47 0.00 0.00 174.74 172.32 1s6l s PHE 164 N -2.64 2.45 -0.11 3.88 0.40 -1.26 0.10 117.98 120.80 1s6l s PHE 164 Ca 0.37 -0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1s6l s PHE 164 Cb 0.06 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 1s6l s PHE 164 CO 0.20 -0.33 -0.03 -0.06 0.70 0.00 0.00 175.22 175.70 1s6l s PHE 165 N 0.14 3.05 0.60 0.36 0.08 0.64 -3.72 117.98 119.12 1s6l s PHE 165 Ca -0.12 -0.03 0.29 0.00 0.12 0.00 0.00 56.93 57.18 1s6l s PHE 165 Cb -0.16 -1.83 1.27 0.00 -0.57 0.00 0.00 43.02 41.73 1s6l s PHE 165 CO 0.07 0.24 1.65 0.00 -0.10 0.00 0.00 175.22 177.07 1s6l h ALA 166 N 5.77 2.58 -2.69 5.36 0.00 -1.91 0.92 119.26 129.29 1s6l h ALA 166 Ca -0.43 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.56 1s6l h ALA 166 Cb 1.18 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1s6l h ALA 166 CO 0.57 -1.21 0.34 -1.12 0.00 0.00 0.00 179.25 177.83 1s6l s SER 167 N -4.45 -0.29 0.27 0.00 0.01 -1.26 -3.32 113.70 104.67 1s6l s SER 167 Ca -0.04 -0.39 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1s6l s SER 167 Cb 0.16 0.59 0.38 0.00 0.21 0.00 0.00 66.02 67.35 1s6l s SER 167 CO 0.53 -1.06 1.69 0.58 0.41 0.00 0.00 173.24 175.39 1s6l h VAL 168 N 2.00 1.28 -0.14 3.43 2.07 -1.82 1.12 116.25 124.20 1s6l h VAL 168 Ca -0.23 -1.38 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1s6l h VAL 168 Cb 1.25 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1s6l h VAL 168 CO 0.27 0.43 -0.68 -0.65 0.02 0.00 0.00 177.57 176.96 1s6l h PRO 169 N 0.39 0.57 0.05 1.57 0.11 -1.95 0.85 132.00 133.59 1s6l h PRO 169 Ca 0.05 -0.43 -0.28 0.00 0.11 0.00 0.00 66.00 65.46 1s6l h PRO 169 Cb 0.75 0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.96 1s6l h PRO 169 CO 0.06 1.05 -1.11 1.15 -0.21 0.00 0.00 178.00 178.94 1s6l h THR 170 N 0.41 1.29 -0.44 -1.15 2.02 -1.92 5.35 112.91 118.46 1s6l h THR 170 Ca -0.02 -2.33 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1s6l h THR 170 Cb 1.26 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 70.18 1s6l h THR 170 CO 0.13 0.71 0.24 0.00 0.37 0.00 0.00 175.52 176.97 1s6l h ALA 171 N 0.34 0.56 0.00 6.16 0.00 0.14 1.10 119.26 127.56 1s6l h ALA 171 Ca -0.15 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1s6l h ALA 171 Cb 1.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1s6l h ALA 171 CO 0.22 0.08 -0.75 0.93 0.00 0.00 0.00 179.25 179.72 1s6l h GLU 172 N 0.57 0.00 0.29 0.00 5.08 0.82 -0.16 114.58 121.20 1s6l h GLU 172 Ca 0.15 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1s6l h GLU 172 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1s6l h GLU 172 CO -0.03 0.75 -0.14 0.22 -1.00 0.00 0.00 179.01 178.81 1s6l h ASP 173 N 0.00 -0.34 0.30 1.42 3.58 1.17 0.16 116.42 122.72 1s6l h ASP 173 Ca -0.01 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 1s6l h ASP 173 Cb 1.52 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 1s6l h ASP 173 CO 0.10 0.12 -0.19 -0.25 -2.88 0.00 0.00 179.24 176.14 1s6l h TRP 174 N -0.91 0.00 -0.64 0.28 -0.00 0.11 -1.76 115.95 113.04 1s6l h TRP 174 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.76 1s6l h TRP 174 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.65 1s6l h TRP 174 CO 0.04 0.19 0.07 0.00 -0.00 0.00 0.00 178.44 178.74 1s6l h ALA 175 N 1.81 0.85 -0.87 2.65 0.00 -0.87 -2.50 119.26 120.34 1s6l h ALA 175 Ca -0.00 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1s6l h ALA 175 Cb 0.39 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.84 1s6l h ALA 175 CO 0.02 0.65 0.45 0.77 0.00 0.00 0.00 179.25 181.15 1s6l h SER 176 N 1.00 0.55 -0.45 0.00 0.02 -0.02 0.38 113.55 115.02 1s6l h SER 176 Ca 0.19 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1s6l h SER 176 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1s6l h SER 176 CO 0.02 0.23 0.02 0.29 -1.14 0.00 0.00 176.83 176.25 1s6l n LYS 177 N -4.86 3.89 -0.90 3.45 4.76 -1.05 -3.93 118.16 119.52 1s6l n LYS 177 Ca 0.18 -2.40 0.05 0.00 -2.87 0.00 0.00 58.31 53.27 1s6l n LYS 177 Cb 0.45 -2.08 0.13 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.42 0.00 -2.74 2.13 8.25 0.13 -5.07 115.22 118.34 1s6l n HIS 178 Ca 0.22 -1.07 -0.07 0.00 -0.26 0.00 0.00 57.72 56.55 1s6l n HIS 178 Cb 0.99 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.93 1s6l n HIS 178 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s6l n GLN 179 N -0.51 0.67 0.00 -0.41 1.13 -1.16 -4.64 117.38 112.46 1s6l n GLN 179 Ca 0.14 -0.93 0.00 0.00 -1.94 0.00 0.00 57.00 54.26 1s6l n GLN 179 Cb 0.85 -0.13 0.00 0.00 0.11 0.00 0.00 30.24 31.07 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1s6l n GLY 180 N 2.68 2.87 1.51 1.08 0.00 -1.26 -5.04 105.19 107.04 1s6l n GLY 180 Ca 0.05 -0.09 -0.14 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 -2.14 0.99 4.77 -1.26 -4.90 117.00 114.46 1s6l n LEU 181 Ca 0.00 -0.44 -0.25 0.00 -0.03 0.00 0.00 56.01 55.29 1s6l n LEU 181 Cb 0.00 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.75 1s6l n LEU 181 CO 0.00 -1.97 1.28 -0.62 -1.33 0.00 0.00 177.39 174.75 1s6l n GLU 182 N -3.58 2.26 0.00 3.23 -0.58 -1.26 -4.93 120.64 115.78 1s6l n GLU 182 Ca 0.07 -2.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.05 1s6l n GLU 182 Cb 0.28 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s6l n GLY 183 N -0.82 -0.55 2.07 0.62 0.00 -1.26 -4.75 105.19 100.49 1s6l n GLY 183 Ca 0.54 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1s6l n GLY 183 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6l n LEU 184 N 0.00 -5.94 -3.93 0.99 0.00 -1.25 -4.93 117.00 101.93 1s6l n LEU 184 Ca 0.00 2.77 -0.10 0.00 0.00 0.00 0.00 56.01 58.68 1s6l n LEU 184 Cb 0.00 -2.99 -0.10 0.00 0.00 0.00 0.00 43.42 40.32 1s6l n LEU 184 CO 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 177.39 175.01 1s6l s ALA 185 N -0.50 -0.09 0.22 1.96 0.00 0.07 -4.99 121.76 118.42 1s6l s ALA 185 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1s6l s ALA 185 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1s6l s ALA 185 CO 0.00 -0.18 0.33 0.42 0.00 0.00 0.00 175.76 176.33 1s6l s ILE 186 N -1.41 5.24 0.13 0.00 -1.09 -1.26 0.05 121.20 122.85 1s6l s ILE 186 Ca -0.15 -0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 57.09 1s6l s ILE 186 Cb -0.09 -3.81 0.07 0.00 -1.58 0.00 0.00 42.46 37.06 1s6l s ILE 186 CO 0.00 -0.27 0.72 0.68 -1.23 0.00 0.00 174.94 174.84 1s6l s VAL 187 N -1.92 0.00 -0.12 2.92 -7.23 0.14 -4.93 120.40 109.27 1s6l s VAL 187 Ca 0.34 -0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 60.12 1s6l s VAL 187 Cb -0.09 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1s6l s VAL 187 CO 0.29 0.00 0.65 -0.44 -0.31 0.00 0.00 175.10 175.29 1s6l s SER 188 N -2.71 6.85 0.63 4.85 0.01 -1.26 0.18 113.70 122.24 1s6l s SER 188 Ca 0.04 1.03 0.17 0.00 1.31 0.00 0.00 55.95 58.50 1s6l s SER 188 Cb -0.02 -2.37 0.92 0.00 0.21 0.00 0.00 66.02 64.76 1s6l s SER 188 CO -0.08 -0.15 1.50 -0.37 0.41 0.00 0.00 173.24 174.55 1s6l h VAL 189 N 4.88 0.00 -0.10 3.43 -1.51 -1.89 1.03 116.25 122.09 1s6l h VAL 189 Ca -0.38 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.97 1s6l h VAL 189 Cb 1.18 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1s6l h VAL 189 CO 0.76 0.00 -0.41 0.45 -1.23 0.00 0.00 177.57 177.14 1s6l h HIS 190 N 0.00 0.61 0.00 5.19 3.86 -1.91 -2.33 115.15 120.58 1s6l h HIS 190 Ca 0.00 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 58.90 1s6l h HIS 190 Cb 1.16 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1s6l h HIS 190 CO 0.00 1.02 -0.45 0.93 0.86 0.00 0.00 177.93 180.28 1s6l h GLU 191 N 0.04 0.00 0.00 2.45 5.08 0.43 -3.25 114.58 119.33 1s6l h GLU 191 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1s6l h GLU 191 Cb 1.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1s6l h GLU 191 CO 0.09 0.20 -0.39 0.00 -1.00 0.00 0.00 179.01 177.91 1s6l h ALA 192 N 1.77 0.88 0.00 3.43 0.00 -0.10 -2.27 119.26 122.97 1s6l h ALA 192 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1s6l h ALA 192 Cb 1.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1s6l h ALA 192 CO 0.03 0.48 -0.61 0.35 0.00 0.00 0.00 179.25 179.50 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.57 -1.45 -1.42 116.94 117.64 1s6l h PHE 193 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1s6l h PHE 193 Cb 1.04 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1s6l h PHE 193 CO 0.00 0.49 -1.18 0.78 -2.23 0.00 0.00 178.31 176.16 1s6l h GLY 194 N 3.55 0.00 1.77 2.40 0.00 -1.58 0.28 103.07 109.49 1s6l h GLY 194 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 1s6l h GLY 194 CO 0.06 0.00 -1.00 -2.00 0.00 0.00 0.00 176.54 173.60 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 7.12 -1.45 -1.39 115.31 122.69 1s6l h LEU 195 Ca -0.09 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.72 1s6l h LEU 195 Cb 1.82 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.92 1s6l h LEU 195 CO 0.11 0.83 -1.20 1.23 -0.13 0.00 0.00 178.44 179.29 1s6l h GLY 196 N 3.27 0.00 1.78 3.75 0.00 -1.28 -3.21 103.07 107.38 1s6l h GLY 196 Ca -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 1s6l h GLY 196 CO 0.10 0.00 -0.39 -1.61 0.00 0.00 0.00 176.54 174.64 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.15 -0.45 -3.25 115.11 120.36 1s6l h GLN 197 Ca -0.12 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 1s6l h GLN 197 Cb 1.73 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.41 1s6l h GLN 197 CO 0.09 0.17 -0.39 1.49 -1.93 0.00 0.00 178.83 178.26 1s6l h GLU 198 N 0.00 0.00 -0.61 1.69 4.81 -1.32 -3.28 114.58 115.87 1s6l h GLU 198 Ca -0.01 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 1s6l h GLU 198 Cb 1.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1s6l h GLU 198 CO 0.02 0.27 0.50 0.35 -0.73 0.00 0.00 179.01 179.42 1s6l h PHE 199 N 0.00 0.00 -0.06 0.92 3.57 -1.58 -2.01 116.94 117.78 1s6l h PHE 199 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1s6l h PHE 199 Cb 1.23 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1s6l h PHE 199 CO 0.00 0.00 -0.31 -0.97 -2.23 0.00 0.00 178.31 174.80 1s6l h ASN 200 N 0.00 -0.96 -0.26 0.41 -0.73 -1.78 0.58 115.58 112.84 1s6l h ASN 200 Ca 0.29 0.13 0.06 0.00 1.87 0.00 0.00 56.30 58.65 1s6l h ASN 200 Cb 1.29 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 40.27 1s6l h ASN 200 CO -0.00 -0.37 0.18 -0.09 -0.37 0.00 0.00 177.43 176.78 1s6l h ARG 201 N -0.43 0.09 0.10 6.67 2.43 -1.63 0.82 114.38 122.44 1s6l h ARG 201 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1s6l h ARG 201 Cb 0.55 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1s6l h ARG 201 CO -0.30 0.06 -0.05 0.45 -1.51 0.00 0.00 179.97 178.62 1s6l h HIS 202 N 0.09 -0.13 -0.36 2.20 3.86 -1.11 -1.44 115.15 118.26 1s6l h HIS 202 Ca 0.12 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1s6l h HIS 202 Cb 0.35 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1s6l h HIS 202 CO -0.00 0.26 -0.04 -0.07 0.86 0.00 0.00 177.93 178.93 1s6l h LEU 203 N -0.97 0.57 -0.01 2.43 3.38 0.31 -3.10 115.31 117.92 1s6l h LEU 203 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1s6l h LEU 203 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s6l h LEU 203 CO 0.02 0.67 -0.02 0.25 0.09 0.00 0.00 178.44 179.45 1s6l h LEU 204 N 0.56 0.03 -7.85 1.67 6.46 0.56 -3.37 115.31 113.37 1s6l h LEU 204 Ca 0.11 -0.53 -0.40 0.00 -0.12 0.00 0.00 57.88 56.94 1s6l h LEU 204 Cb 0.42 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1s6l h LEU 204 CO 0.02 0.56 1.32 0.00 -0.62 0.00 0.00 178.44 179.72 1s6l n GLN 205 N -4.81 1.82 -2.74 1.25 1.13 -0.54 -4.90 117.38 108.60 1s6l n GLN 205 Ca -0.08 -2.54 -0.42 0.00 -1.94 0.00 0.00 57.00 52.01 1s6l n GLN 205 Cb 0.28 -3.65 -0.04 0.00 0.11 0.00 0.00 30.24 26.95 1s6l n GLN 205 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1s6l s THR 206 N 9.70 4.13 0.55 5.09 2.01 -1.26 -4.87 115.64 130.98 1s6l s THR 206 Ca 0.66 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 1s6l s THR 206 Cb 0.01 -4.73 -0.05 0.00 0.01 0.00 0.00 72.50 67.74 1s6l s THR 206 CO 0.13 -1.50 1.28 -0.32 -0.69 0.00 0.00 174.62 173.52 1s6l s MET 207 N 4.62 3.16 -0.01 4.92 1.75 -1.26 -5.04 119.30 127.44 1s6l s MET 207 Ca 0.29 2.04 -0.03 0.00 -1.25 0.00 0.00 55.69 56.75 1s6l s MET 207 Cb -0.13 -2.17 -0.00 0.00 2.84 0.00 0.00 34.83 35.37 1s6l s MET 207 CO 0.15 -1.12 0.06 -1.54 -0.65 0.00 0.00 175.02 171.92 1s6l s SER 208 N -1.21 0.03 -0.19 1.11 1.04 -1.26 -5.05 113.70 108.17 1s6l s SER 208 Ca 0.72 -0.10 0.17 0.00 0.48 0.00 0.00 55.95 57.23 1s6l s SER 208 Cb -0.36 0.15 0.46 0.00 0.10 0.00 0.00 66.02 66.37 1s6l s SER 208 CO 0.41 -0.17 1.17 -0.24 0.98 0.00 0.00 173.24 175.39 1s6l n SER 209 N 2.31 2.23 -4.83 7.02 2.88 -1.26 -5.09 113.62 116.89 1s6l n SER 209 Ca -0.18 -2.83 -0.32 0.00 -1.33 0.00 0.00 58.87 54.21 1s6l n SER 209 Cb 0.57 -0.41 0.02 0.00 -0.75 0.00 0.00 64.21 63.64 1s6l n SER 209 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1s6l s ARG 210 N -2.63 3.35 0.04 -1.46 3.52 -1.26 -5.01 118.95 115.51 1s6l s ARG 210 Ca 0.37 0.98 -0.27 0.00 -0.13 0.00 0.00 55.73 56.68 1s6l s ARG 210 Cb 0.37 -2.05 -0.15 0.00 -1.56 0.00 0.00 34.95 31.57 1s6l s ARG 210 CO -0.06 -0.77 1.40 1.15 -0.81 0.00 0.00 175.30 176.21 1s6l h THR 211 N -0.04 0.00 0.00 4.11 2.02 -2.08 -3.57 112.91 113.34 1s6l h THR 211 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1s6l h THR 211 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1s6l h THR 211 CO 0.59 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.67