#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 -4.39 -2.26 0.00 -0.08 -1.26 -4.86 116.55 103.71 1s6l n ASP 22 Ca 0.00 1.57 0.00 0.00 -1.51 0.00 0.00 54.79 54.85 1s6l n ASP 22 Cb 0.00 -5.22 0.00 0.00 2.34 0.00 0.00 41.12 38.24 1s6l n ASP 22 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1s6l n LEU 23 N 1.75 -6.42 -2.81 -2.67 7.99 -1.26 -5.01 117.00 108.57 1s6l n LEU 23 Ca -0.24 2.88 -0.02 0.00 -0.01 0.00 0.00 56.01 58.62 1s6l n LEU 23 Cb 0.37 -3.18 0.01 0.00 -0.11 0.00 0.00 43.42 40.51 1s6l n LEU 23 CO 0.22 -2.61 0.26 -0.22 -1.51 0.00 0.00 177.39 173.53 1s6l s LEU 24 N -0.57 -1.00 0.62 2.23 2.96 -1.26 -4.94 118.68 116.72 1s6l s LEU 24 Ca 0.00 -0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 52.73 1s6l s LEU 24 Cb 0.00 1.30 -0.02 0.00 0.50 0.00 0.00 46.19 47.97 1s6l s LEU 24 CO 0.00 -0.06 1.31 1.33 -1.32 0.00 0.00 176.35 177.61 1s6l n VAL 25 N 3.18 4.61 -0.01 1.68 0.24 -1.26 -4.94 118.33 121.83 1s6l n VAL 25 Ca 0.13 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 1s6l n VAL 25 Cb 0.60 -1.54 0.02 0.00 -1.47 0.00 0.00 33.84 31.44 1s6l n VAL 25 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1s6l h PRO 26 N 0.80 0.64 0.10 7.34 0.13 -1.99 -3.12 132.00 135.90 1s6l h PRO 26 Ca -0.51 -0.42 0.02 0.00 -0.87 0.00 0.00 66.00 64.22 1s6l h PRO 26 Cb 1.33 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.47 1s6l h PRO 26 CO 0.54 1.04 -0.40 1.37 -0.23 0.00 0.00 178.00 180.32 1s6l h LEU 27 N 0.48 -1.19 -2.29 1.56 8.10 -1.99 -0.59 115.31 119.40 1s6l h LEU 27 Ca 0.00 0.14 -0.00 0.00 0.11 0.00 0.00 57.88 58.13 1s6l h LEU 27 Cb 1.15 0.45 -0.00 0.00 -0.44 0.00 0.00 40.66 41.82 1s6l h LEU 27 CO 0.11 -0.47 -0.01 0.25 -4.11 0.00 0.00 178.44 174.21 1s6l h LEU 28 N -0.62 0.00 0.20 0.17 7.12 -1.96 1.13 115.31 121.35 1s6l h LEU 28 Ca 0.03 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1s6l h LEU 28 CO -0.25 0.01 -0.10 0.03 -0.13 0.00 0.00 178.44 178.00 1s6l h ARG 29 N 0.00 -0.26 0.00 1.25 3.08 -1.10 0.75 114.38 118.10 1s6l h ARG 29 Ca -0.00 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 1s6l h ARG 29 Cb 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1s6l h ARG 29 CO 0.00 0.10 -0.82 1.49 -1.07 0.00 0.00 179.97 179.67 1s6l h GLU 30 N -0.69 0.01 -0.00 0.04 4.22 -0.88 -3.21 114.58 114.06 1s6l h GLU 30 Ca -0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1s6l h GLU 30 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s6l h GLU 30 CO 0.05 0.82 -0.00 1.25 -2.18 0.00 0.00 179.01 178.95 1s6l h LEU 31 N 0.00 0.01 -2.01 1.64 5.85 0.13 -3.01 115.31 117.92 1s6l h LEU 31 Ca -0.01 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.29 1s6l h LEU 31 Cb 1.45 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1s6l h LEU 31 CO 0.11 0.52 0.40 0.00 -0.34 0.00 0.00 178.44 179.13 1s6l h ALA 32 N 0.48 2.01 0.00 1.25 0.00 0.46 0.89 119.26 124.36 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 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1s6l h ALA 32 CO 0.00 -0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 178.35 1s6l h LYS 33 N 0.00 0.00 -4.87 0.00 3.11 -1.53 -3.47 116.57 109.81 1s6l h LYS 33 Ca 0.16 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.73 1s6l h LYS 33 Cb 0.97 0.00 0.13 0.00 -1.00 0.00 0.00 32.23 32.33 1s6l h LYS 33 CO -0.00 0.10 -0.59 0.41 -2.81 0.00 0.00 179.45 176.56 1s6l n GLY 34 N -0.18 -0.20 3.17 5.01 0.00 0.31 -5.04 105.19 108.26 1s6l n GLY 34 Ca -0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.25 0.83 -0.29 1.61 1.81 -1.26 -5.09 118.95 111.30 1s6l s ARG 35 Ca 0.09 -1.14 -0.30 0.00 -1.72 0.00 0.00 55.73 52.65 1s6l s ARG 35 Cb -0.04 -0.52 -0.07 0.00 -0.45 0.00 0.00 34.95 33.87 1s6l s ARG 35 CO 0.58 0.08 2.24 -2.30 -0.68 0.00 0.00 175.30 175.22 1s6l n PRO 36 N 0.60 1.58 -3.87 3.54 -0.02 -1.26 -4.89 135.00 130.67 1s6l n PRO 36 Ca -0.16 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.36 1s6l n PRO 36 Cb 0.58 -3.00 -0.13 0.00 -0.02 0.00 0.00 33.50 30.93 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 8.40 3.16 0.00 -1.45 0.11 -1.26 -5.09 120.40 124.27 1s6l s VAL 37 Ca 1.04 -1.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1s6l s VAL 37 Cb -0.49 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1s6l s VAL 37 CO 0.39 -0.13 0.00 -1.54 -3.33 0.00 0.00 175.10 170.49 1s6l n SER 38 N 4.66 0.00 0.09 3.54 3.41 -1.26 -3.28 113.62 120.79 1s6l n SER 38 Ca -0.13 -0.98 -0.17 0.00 -0.26 0.00 0.00 58.87 57.33 1s6l n SER 38 Cb 0.44 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1s6l n SER 38 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1s6l h ARG 39 N 0.00 0.43 0.00 4.33 2.43 -1.97 -0.95 114.38 118.65 1s6l h ARG 39 Ca 0.00 -0.59 -0.04 0.00 -0.81 0.00 0.00 59.98 58.54 1s6l h ARG 39 Cb 0.00 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1s6l h ARG 39 CO 0.00 1.24 -0.20 1.79 -1.51 0.00 0.00 179.97 181.29 1s6l h THR 40 N 0.18 0.84 0.15 0.20 1.35 -1.96 1.58 112.91 115.25 1s6l h THR 40 Ca -0.14 -0.76 -0.31 0.00 -0.55 0.00 0.00 66.41 64.65 1s6l h THR 40 Cb 1.84 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1s6l h THR 40 CO 0.20 0.19 -1.54 0.74 -0.25 0.00 0.00 175.52 174.87 1s6l h THR 41 N 0.00 1.00 -0.50 6.82 2.02 -1.93 1.05 112.91 121.37 1s6l h THR 41 Ca -0.00 -2.45 -0.04 0.00 0.77 0.00 0.00 66.41 64.68 1s6l h THR 41 Cb 0.43 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 1s6l h THR 41 CO 0.03 0.77 0.14 0.25 0.37 0.00 0.00 175.52 177.07 1s6l h LEU 42 N -0.13 0.70 -0.10 2.58 5.85 -0.82 1.90 115.31 125.30 1s6l h LEU 42 Ca -0.32 -0.11 -0.17 0.00 0.84 0.00 0.00 57.88 58.12 1s6l h LEU 42 Cb 1.90 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.76 1s6l h LEU 42 CO 0.11 0.68 -0.60 0.00 -0.34 0.00 0.00 178.44 178.29 1s6l h ALA 43 N 1.42 0.20 -0.04 1.25 0.00 0.22 0.10 119.26 122.42 1s6l h ALA 43 Ca 0.17 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1s6l h ALA 43 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1s6l h ALA 43 CO -0.01 0.46 -0.37 0.78 0.00 0.00 0.00 179.25 180.11 1s6l h GLY 44 N 0.20 0.09 0.95 0.00 0.00 0.20 0.46 103.07 104.97 1s6l h GLY 44 Ca -0.05 -0.08 -0.24 0.00 0.00 0.00 0.00 47.33 46.96 1s6l h GLY 44 CO 0.12 0.07 -1.05 -2.22 0.00 0.00 0.00 176.54 173.47 1s6l h ILE 45 N 0.07 1.40 0.00 2.60 2.04 0.30 -3.15 117.51 120.78 1s6l h ILE 45 Ca 0.01 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1s6l h ILE 45 Cb 0.70 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1s6l h ILE 45 CO 0.05 0.74 0.00 0.18 0.00 0.00 0.00 178.15 179.12 1s6l n LEU 46 N -3.97 0.00 -1.80 1.44 4.32 0.36 -4.85 117.00 112.50 1s6l n LEU 46 Ca -0.14 0.37 -0.16 0.00 -0.02 0.00 0.00 56.01 56.06 1s6l n LEU 46 Cb 0.91 -0.37 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 1s6l n LEU 46 CO 0.54 -0.02 -0.17 -0.90 -1.22 0.00 0.00 177.39 175.61 1s6l n ASP 47 N -1.37 -4.45 -4.93 -1.43 5.68 0.14 -4.93 116.55 105.26 1s6l n ASP 47 Ca 0.11 0.29 -0.28 0.00 -0.50 0.00 0.00 54.79 54.41 1s6l n ASP 47 Cb 0.27 -3.93 -0.03 0.00 -1.14 0.00 0.00 41.12 36.28 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 -2.52 3.49 0.26 2.11 0.23 -0.03 -4.99 118.94 117.48 1s6l s TRP 48 Ca 0.00 0.24 -0.30 0.00 -2.03 0.00 0.00 56.10 54.01 1s6l s TRP 48 Cb 0.00 -1.76 -0.09 0.00 0.03 0.00 0.00 33.47 31.64 1s6l s TRP 48 CO 0.00 0.50 1.29 -1.25 0.96 0.00 0.00 176.95 178.45 1s6l s PRO 49 N -3.02 4.40 0.64 4.98 0.04 -1.26 -4.53 135.00 136.26 1s6l s PRO 49 Ca 0.36 2.09 0.23 0.00 0.04 0.00 0.00 61.00 63.73 1s6l s PRO 49 Cb -0.12 -3.15 1.19 0.00 0.04 0.00 0.00 34.50 32.47 1s6l s PRO 49 CO 0.28 -0.18 1.66 0.00 0.04 0.00 0.00 177.00 178.80 1s6l h ALA 50 N 4.46 1.88 0.09 8.56 0.00 -1.92 0.38 119.26 132.70 1s6l h ALA 50 Ca -0.46 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 1s6l h ALA 50 Cb 1.22 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1s6l h ALA 50 CO 0.72 -0.73 -1.15 1.05 0.00 0.00 0.00 179.25 179.13 1s6l h GLU 51 N 0.00 0.33 -0.53 0.00 4.11 -1.98 -1.27 114.58 115.24 1s6l h GLU 51 Ca 0.11 -0.48 -0.10 0.00 0.07 0.00 0.00 59.36 58.96 1s6l h GLU 51 Cb 1.33 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1s6l h GLU 51 CO -0.00 1.19 -0.06 0.00 0.07 0.00 0.00 179.01 180.21 1s6l h ARG 52 N 0.13 0.97 -0.16 1.06 2.47 -0.63 0.28 114.38 118.50 1s6l h ARG 52 Ca -0.12 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1s6l h ARG 52 Cb 1.85 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 30.09 1s6l h ARG 52 CO 0.19 1.01 0.08 0.28 0.56 0.00 0.00 179.97 182.10 1s6l h VAL 53 N 0.84 1.12 -0.11 2.04 2.07 -1.44 0.15 116.25 120.92 1s6l h VAL 53 Ca 0.14 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1s6l h VAL 53 Cb 0.62 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1s6l h VAL 53 CO 0.04 0.11 -0.24 0.00 0.02 0.00 0.00 177.57 177.50 1s6l h ALA 54 N 0.96 -0.23 -0.13 1.67 0.00 -0.84 0.74 119.26 121.43 1s6l h ALA 54 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1s6l h ALA 54 Cb 0.10 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s6l h ALA 54 CO -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 179.25 178.52 1s6l h ALA 55 N 0.62 0.10 -0.05 0.00 0.00 -0.22 -1.63 119.26 118.08 1s6l h ALA 55 Ca 0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1s6l h ALA 55 Cb 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1s6l h ALA 55 CO -0.29 -0.47 -0.15 0.28 0.00 0.00 0.00 179.25 178.62 1s6l h VAL 56 N 0.02 1.14 -0.19 0.00 2.07 -0.19 -1.85 116.25 117.26 1s6l h VAL 56 Ca 0.06 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1s6l h VAL 56 Cb 0.08 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1s6l h VAL 56 CO -0.12 0.19 0.01 0.25 0.02 0.00 0.00 177.57 177.92 1s6l h LEU 57 N 0.08 0.24 -2.52 2.57 5.85 0.15 -1.39 115.31 120.28 1s6l h LEU 57 Ca 0.02 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1s6l h LEU 57 Cb 0.31 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1s6l h LEU 57 CO 0.02 0.28 0.12 -0.08 -0.34 0.00 0.00 178.44 178.45 1s6l h GLU 58 N 0.26 0.00 0.00 1.25 4.81 -0.91 0.97 114.58 120.96 1s6l h GLU 58 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1s6l h GLU 58 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1s6l h GLU 58 CO 0.00 0.00 -1.46 1.04 -0.73 0.00 0.00 179.01 177.86 1s6l n GLN 59 N -3.35 0.53 -1.24 1.92 1.13 -0.54 -4.15 117.38 111.69 1s6l n GLN 59 Ca -0.02 -0.06 -0.26 0.00 -1.94 0.00 0.00 57.00 54.73 1s6l n GLN 59 Cb 0.20 -1.62 0.15 0.00 0.11 0.00 0.00 30.24 29.08 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l n ALA 60 N -2.10 5.72 0.21 -1.58 0.00 0.32 -4.50 120.51 118.57 1s6l n ALA 60 Ca -0.01 -3.07 0.06 0.00 0.00 0.00 0.00 53.44 50.42 1s6l n ALA 60 Cb 0.52 -1.48 0.45 0.00 0.00 0.00 0.00 19.45 18.95 1s6l n ALA 60 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1s6l h THR 61 N 1.01 1.01 0.00 0.00 1.35 -1.67 -2.53 112.91 112.09 1s6l h THR 61 Ca 0.61 -1.10 -0.09 0.00 -0.55 0.00 0.00 66.41 65.27 1s6l h THR 61 Cb 2.29 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 70.33 1s6l h THR 61 CO 1.19 0.29 -0.44 -1.28 -0.25 0.00 0.00 175.52 175.03 1s6l h SER 62 N 0.00 0.00 -3.48 5.36 0.87 -1.91 -3.46 113.55 110.93 1s6l h SER 62 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.99 1s6l h SER 62 Cb 0.60 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 62.68 1s6l h SER 62 CO 0.04 0.44 0.52 0.41 -0.53 0.00 0.00 176.83 177.71 1s6l n THR 63 N -3.37 2.30 -2.62 2.23 -1.04 -0.95 -4.93 114.28 105.90 1s6l n THR 63 Ca 0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.10 1s6l n THR 63 Cb 0.62 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 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 -2.07 4.44 0.47 -2.82 2.02 -1.26 -5.04 118.70 114.43 1s6l s GLU 64 Ca 0.58 1.50 0.08 0.00 0.02 0.00 0.00 54.97 57.15 1s6l s GLU 64 Cb -0.53 -3.51 0.03 0.00 0.10 0.00 0.00 34.13 30.22 1s6l s GLU 64 CO 0.60 -0.28 0.57 0.71 0.02 0.00 0.00 175.26 176.88 1s6l s TYR 65 N 1.74 2.30 0.19 1.61 2.02 -1.26 -3.07 117.35 120.88 1s6l s TYR 65 Ca 0.52 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 1s6l s TYR 65 Cb -0.21 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.14 1s6l s TYR 65 CO 0.22 -0.55 0.27 -0.25 -1.57 0.00 0.00 175.55 173.66 1s6l n ASP 66 N -1.88 0.46 -0.11 2.29 8.00 0.36 -4.74 116.55 120.94 1s6l n ASP 66 Ca 0.08 -1.37 -0.04 0.00 0.71 0.00 0.00 54.79 54.17 1s6l n ASP 66 Cb 0.61 -0.16 0.16 0.00 -0.02 0.00 0.00 41.12 41.71 1s6l n ASP 66 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1s6l h LYS 67 N 0.00 0.79 -0.36 -1.24 2.10 -2.01 -2.31 116.57 113.54 1s6l h LYS 67 Ca -0.09 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1s6l h LYS 67 Cb 0.35 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1s6l h LYS 67 CO 0.10 0.80 0.00 -0.25 -2.00 0.00 0.00 179.45 178.10 1s6l n ASP 68 N -4.21 1.80 -0.01 7.07 8.00 -1.26 -4.88 116.55 123.06 1s6l n ASP 68 Ca 0.02 -2.03 -0.00 0.00 0.71 0.00 0.00 54.79 53.49 1s6l n ASP 68 Cb 0.30 -0.24 -0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6l n GLY 69 N 0.94 0.46 3.92 0.44 0.00 -0.87 -5.04 105.19 105.05 1s6l n GLY 69 Ca 0.11 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1s6l n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6l s ASN 70 N -2.31 6.05 -0.12 1.61 4.22 -1.26 -4.67 114.94 118.46 1s6l s ASN 70 Ca 0.00 0.71 -0.30 0.00 -2.14 0.00 0.00 52.86 51.13 1s6l s ASN 70 Cb 0.00 -1.98 -0.01 0.00 1.28 0.00 0.00 41.25 40.54 1s6l s ASN 70 CO 0.00 -0.66 1.02 0.27 -2.04 0.00 0.00 177.10 175.69 1s6l s ILE 71 N -2.71 4.74 -0.17 0.54 -0.00 -1.20 0.14 121.20 122.54 1s6l s ILE 71 Ca 0.48 2.02 0.21 0.00 -0.00 0.00 0.00 60.65 63.36 1s6l s ILE 71 Cb -0.10 -4.30 -0.11 0.00 -0.00 0.00 0.00 42.46 37.95 1s6l s ILE 71 CO 0.43 -0.02 0.85 0.00 -0.00 0.00 0.00 174.94 176.20 1s6l n ILE 72 N 4.64 0.58 -0.59 8.37 3.06 -1.17 -4.46 119.36 129.78 1s6l n ILE 72 Ca 0.09 -0.57 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 1s6l n ILE 72 Cb 0.48 -0.32 0.00 0.00 0.54 0.00 0.00 39.64 40.34 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6l n GLY 73 N 1.25 -2.63 3.61 4.50 0.00 -1.26 -4.87 105.19 105.80 1s6l n GLY 73 Ca -0.03 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1s6l n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6l s TYR 74 N 0.00 1.20 0.00 1.61 1.13 -1.26 -4.00 117.35 116.02 1s6l s TYR 74 Ca 0.00 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 1s6l s TYR 74 Cb 0.00 -3.99 0.00 0.00 -1.10 0.00 0.00 41.96 36.87 1s6l s TYR 74 CO 0.00 -4.33 0.00 0.41 -2.51 0.00 0.00 175.55 169.12 1s6l n GLY 75 N 5.54 -1.12 3.77 5.49 0.00 -1.26 -5.02 105.19 112.59 1s6l n GLY 75 Ca 0.28 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.36 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 4.26 0.23 0.99 2.34 -1.26 -4.65 118.68 120.59 1s6l s LEU 76 Ca 0.00 2.83 0.10 0.00 0.06 0.00 0.00 54.13 57.12 1s6l s LEU 76 Cb 0.00 -3.80 -0.05 0.00 -0.56 0.00 0.00 46.19 41.79 1s6l s LEU 76 CO 0.00 -0.87 -0.17 0.42 -1.06 0.00 0.00 176.35 174.67 1s6l s THR 77 N -1.18 2.07 0.60 5.48 -4.23 -1.25 -4.95 115.64 112.18 1s6l s THR 77 Ca 0.55 -2.27 0.27 0.00 -1.18 0.00 0.00 61.69 59.06 1s6l s THR 77 Cb -0.42 -2.14 0.37 0.00 1.34 0.00 0.00 72.50 71.65 1s6l s THR 77 CO 0.55 -0.48 1.60 0.25 -0.54 0.00 0.00 174.62 176.00 1s6l h LEU 78 N 2.50 0.00 -3.00 4.79 6.46 -1.95 -3.43 115.31 120.68 1s6l h LEU 78 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1s6l h LEU 78 Cb 1.24 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1s6l h LEU 78 CO 0.60 0.00 -0.01 0.54 -0.62 0.00 0.00 178.44 178.96 1s6l n ARG 79 N -3.41 -0.02 -0.61 1.25 1.74 -1.26 -5.06 116.66 109.30 1s6l n ARG 79 Ca 0.14 0.51 -0.03 0.00 -0.77 0.00 0.00 57.85 57.71 1s6l n ARG 79 Cb 1.06 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 31.45 1s6l n ARG 79 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1s6l n GLU 80 N 0.00 0.00 0.00 5.56 0.28 -1.26 -5.13 120.64 120.09 1s6l n GLU 80 Ca -0.00 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.64 1s6l n GLU 80 Cb 0.00 0.26 0.00 0.00 1.43 0.00 0.00 31.44 33.13 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1s6l n THR 81 N 0.00 0.00 0.00 3.84 -2.24 -1.26 -5.10 114.28 109.52 1s6l n THR 81 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1s6l n THR 81 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1s6l n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 82 N 0.00 2.53 -4.57 3.42 3.41 -1.26 -5.00 113.62 112.15 1s6l n SER 82 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1s6l n SER 82 Cb 0.00 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s6l s TYR 83 N -1.52 1.95 -0.06 7.33 2.02 -1.26 -4.52 117.35 121.29 1s6l s TYR 83 Ca 0.00 0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1s6l s TYR 83 Cb 0.00 -4.22 -0.03 0.00 -0.40 0.00 0.00 41.96 37.30 1s6l s TYR 83 CO 0.00 -2.31 -0.03 0.08 -1.57 0.00 0.00 175.55 171.72 1s6l s VAL 84 N 7.36 4.03 -0.23 0.71 1.01 -0.33 -0.92 120.40 132.04 1s6l s VAL 84 Ca 0.64 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 1s6l s VAL 84 Cb -0.14 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.61 1s6l s VAL 84 CO 0.25 0.55 0.05 0.12 0.00 0.00 0.00 175.10 176.07 1s6l s PHE 85 N -0.90 1.21 -0.15 5.22 2.19 0.04 -0.30 117.98 125.29 1s6l s PHE 85 Ca 0.14 -1.09 -0.07 0.00 0.33 0.00 0.00 56.93 56.24 1s6l s PHE 85 Cb -0.11 -1.19 -0.04 0.00 -1.31 0.00 0.00 43.02 40.36 1s6l s PHE 85 CO 0.04 -0.69 0.09 -1.21 1.83 0.00 0.00 175.22 175.28 1s6l s GLU 86 N 1.79 3.70 -0.03 10.12 8.01 0.35 0.11 118.70 142.75 1s6l s GLU 86 Ca 0.01 -0.26 -0.01 0.00 0.01 0.00 0.00 54.97 54.72 1s6l s GLU 86 Cb -0.17 -3.18 0.03 0.00 -4.31 0.00 0.00 34.13 26.50 1s6l s GLU 86 CO -0.13 0.50 0.05 0.96 0.01 0.00 0.00 175.26 176.66 1s6l s ILE 87 N -0.27 -0.09 0.00 -1.63 -4.36 -0.75 0.12 121.20 114.22 1s6l s ILE 87 Ca 0.09 0.35 0.00 0.00 -0.26 0.00 0.00 60.65 60.83 1s6l s ILE 87 Cb -0.12 -0.13 0.00 0.00 1.25 0.00 0.00 42.46 43.47 1s6l s ILE 87 CO 0.01 0.14 0.00 -0.67 0.24 0.00 0.00 174.94 174.67 1s6l n ASP 88 N 4.87 0.00 -1.54 4.36 2.03 -1.26 -1.32 116.55 123.69 1s6l n ASP 88 Ca -0.13 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 0.47 -1.92 0.00 0.00 177.20 175.75 1s6l n ASP 89 N 0.66 -0.75 -3.73 1.67 8.00 -1.26 -5.11 116.55 116.04 1s6l n ASP 89 Ca 0.00 -1.48 -0.26 0.00 0.71 0.00 0.00 54.79 53.76 1s6l n ASP 89 Cb 0.00 0.30 -0.17 0.00 -0.02 0.00 0.00 41.12 41.23 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s6l s ARG 90 N 0.04 0.56 -1.13 -1.24 1.81 -0.43 -5.07 118.95 113.49 1s6l s ARG 90 Ca 0.03 -0.21 -0.21 0.00 -1.72 0.00 0.00 55.73 53.62 1s6l s ARG 90 Cb 0.14 -1.71 0.06 0.00 -0.45 0.00 0.00 34.95 32.99 1s6l s ARG 90 CO -0.04 -0.54 1.55 1.03 -0.68 0.00 0.00 175.30 176.63 1s6l s ARG 91 N 1.93 3.74 0.82 3.54 3.00 -1.26 -1.80 118.95 128.92 1s6l s ARG 91 Ca 0.01 -1.47 -0.11 0.00 0.00 0.00 0.00 55.73 54.16 1s6l s ARG 91 Cb -0.15 -5.42 0.08 0.00 0.00 0.00 0.00 34.95 29.46 1s6l s ARG 91 CO -0.07 -2.22 1.09 -1.17 0.00 0.00 0.00 175.30 172.93 1s6l s LEU 92 N 4.64 2.54 0.18 2.53 2.96 0.31 -4.87 118.68 126.97 1s6l s LEU 92 Ca 0.49 1.37 0.01 0.00 -0.22 0.00 0.00 54.13 55.78 1s6l s LEU 92 Cb 0.01 -3.94 -0.05 0.00 0.50 0.00 0.00 46.19 42.72 1s6l s LEU 92 CO -0.03 -2.12 0.02 -0.31 -1.32 0.00 0.00 176.35 172.59 1s6l s TYR 93 N -3.10 1.20 0.30 5.38 1.51 -1.26 -0.78 117.35 120.61 1s6l s TYR 93 Ca 0.61 -1.07 -0.12 0.00 -1.01 0.00 0.00 57.07 55.49 1s6l s TYR 93 Cb -0.15 -0.69 0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1s6l s TYR 93 CO 0.55 -0.27 0.56 0.00 -1.11 0.00 0.00 175.55 175.28 1s6l s ALA 94 N -3.72 -0.22 -0.31 3.71 0.00 -0.10 -3.77 121.76 117.36 1s6l s ALA 94 Ca 0.26 -0.93 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1s6l s ALA 94 Cb 0.06 0.99 -0.18 0.00 0.00 0.00 0.00 23.12 23.99 1s6l s ALA 94 CO 0.05 -0.89 0.75 0.91 0.00 0.00 0.00 175.76 176.58 1s6l n TRP 95 N -0.46 0.22 -3.82 0.00 7.02 -1.26 -4.24 117.44 114.89 1s6l n TRP 95 Ca -0.02 0.06 -0.09 0.00 -1.02 0.00 0.00 57.50 56.43 1s6l n TRP 95 Cb 0.61 -0.50 -0.04 0.00 -2.42 0.00 0.00 31.31 28.95 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 2.25 1.75 0.00 0.00 0.00 -1.92 -1.96 119.26 119.39 1s6l h ALA 97 Ca -0.28 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 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 0.38 -0.53 -0.60 -0.07 0.00 0.00 0.00 179.25 178.43 1s6l h LEU 98 N 0.00 0.00 -1.85 0.00 3.38 -1.86 -3.35 115.31 111.63 1s6l h LEU 98 Ca 0.10 -0.62 0.23 0.00 0.09 0.00 0.00 57.88 57.68 1s6l h LEU 98 Cb 0.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1s6l h LEU 98 CO -0.00 1.16 0.70 0.44 0.09 0.00 0.00 178.44 180.83 1s6l h ASP 99 N -1.00 0.00 0.02 -0.43 3.32 -1.75 0.48 116.42 117.06 1s6l h ASP 99 Ca -0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1s6l h ASP 99 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1s6l h ASP 99 CO -0.09 0.00 -0.02 0.71 -1.72 0.00 0.00 179.24 178.11 1s6l h THR 100 N 0.00 1.00 -2.39 0.35 1.35 -1.63 -3.42 112.91 108.17 1s6l h THR 100 Ca 0.37 -0.08 -0.06 0.00 -0.55 0.00 0.00 66.41 66.10 1s6l h THR 100 Cb 1.77 1.04 -0.25 0.00 -1.73 0.00 0.00 68.15 68.99 1s6l h THR 100 CO -0.00 0.02 -0.22 -1.48 -0.25 0.00 0.00 175.52 173.59 1s6l s LEU 101 N -8.96 -0.56 -0.18 3.87 2.34 0.17 -4.74 118.68 110.62 1s6l s LEU 101 Ca -0.05 1.14 0.04 0.00 0.06 0.00 0.00 54.13 55.33 1s6l s LEU 101 Cb 0.17 1.70 -0.22 0.00 -0.56 0.00 0.00 46.19 47.28 1s6l s LEU 101 CO 0.67 -0.22 0.10 0.00 -1.06 0.00 0.00 176.35 175.84 1s6l n ILE 102 N 4.70 1.56 -3.70 1.48 0.00 -1.26 -4.70 119.36 117.45 1s6l n ILE 102 Ca -0.18 -0.68 -0.27 0.00 0.00 0.00 0.00 62.75 61.62 1s6l n ILE 102 Cb 0.54 -1.26 -0.11 0.00 0.00 0.00 0.00 39.64 38.81 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 -3.19 2.36 0.10 9.51 3.72 -1.26 -4.96 117.46 123.74 1s6l n PHE 103 Ca -0.36 -4.07 -0.13 0.00 -0.05 0.00 0.00 57.45 52.84 1s6l n PHE 103 Cb 1.05 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 39.08 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 5.17 -0.18 0.00 -1.08 0.11 -1.92 0.67 132.00 134.77 1s6l h PRO 104 Ca 0.18 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.23 1s6l h PRO 104 Cb 0.77 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1s6l h PRO 104 CO 0.66 -0.07 -0.34 0.00 -0.21 0.00 0.00 178.00 178.05 1s6l h ALA 105 N 0.62 0.78 0.00 -0.75 0.00 -1.85 -3.27 119.26 114.78 1s6l h ALA 105 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1s6l h ALA 105 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1s6l h ALA 105 CO 0.03 0.42 -0.82 1.28 0.00 0.00 0.00 179.25 180.16 1s6l n LEU 106 N -3.19 0.70 -0.15 0.00 4.32 -1.14 -4.36 117.00 113.18 1s6l n LEU 106 Ca 0.03 0.18 -0.06 0.00 -0.02 0.00 0.00 56.01 56.14 1s6l n LEU 106 Cb 0.67 -0.13 0.01 0.00 -1.62 0.00 0.00 43.42 42.34 1s6l n LEU 106 CO 0.38 -0.05 0.66 -0.29 -1.22 0.00 0.00 177.39 176.87 1s6l h ILE 107 N 0.00 0.26 0.00 -0.08 6.09 0.30 -3.45 117.51 120.63 1s6l h ILE 107 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1s6l h ILE 107 Cb 0.79 0.26 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1s6l h ILE 107 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 1s6l n GLY 108 N -1.42 0.59 3.62 8.18 0.00 -1.26 -4.98 105.19 109.92 1s6l n GLY 108 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.88 2.01 0.36 1.61 6.06 -1.26 -4.91 118.95 121.94 1s6l s ARG 109 Ca 0.00 -1.59 -0.26 0.00 -2.50 0.00 0.00 55.73 51.38 1s6l s ARG 109 Cb 0.00 0.52 -0.09 0.00 0.06 0.00 0.00 34.95 35.44 1s6l s ARG 109 CO 0.00 -0.88 1.08 0.99 -2.50 0.00 0.00 175.30 173.99 1s6l s THR 110 N -2.86 3.58 -0.18 4.11 2.01 -1.26 -3.93 115.64 117.10 1s6l s THR 110 Ca 0.24 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.53 1s6l s THR 110 Cb -0.02 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.80 1s6l s THR 110 CO 0.16 0.13 0.06 0.00 -0.69 0.00 0.00 174.62 174.28 1s6l s ALA 111 N -1.47 0.73 -0.23 7.40 0.00 0.62 -4.17 121.76 124.63 1s6l s ALA 111 Ca 0.54 -0.52 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1s6l s ALA 111 Cb -0.26 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1s6l s ALA 111 CO 0.33 -1.18 0.98 1.03 0.00 0.00 0.00 175.76 176.92 1s6l s ARG 112 N 1.99 4.24 -0.13 0.00 0.52 0.33 0.16 118.95 126.06 1s6l s ARG 112 Ca 0.01 1.25 -0.01 0.00 -0.52 0.00 0.00 55.73 56.45 1s6l s ARG 112 Cb -0.17 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1s6l s ARG 112 CO -0.09 -0.60 -0.10 0.08 0.02 0.00 0.00 175.30 174.62 1s6l s VAL 113 N 3.09 3.37 -0.03 3.52 1.01 0.28 0.13 120.40 131.78 1s6l s VAL 113 Ca 0.42 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1s6l s VAL 113 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1s6l s VAL 113 CO 0.06 0.52 -0.18 -0.44 0.00 0.00 0.00 175.10 175.07 1s6l s SER 114 N 0.25 2.14 0.25 3.32 0.01 0.58 0.12 113.70 120.37 1s6l s SER 114 Ca -0.07 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1s6l s SER 114 Cb -0.15 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 1s6l s SER 114 CO 0.04 0.19 0.21 -0.44 0.41 0.00 0.00 173.24 173.66 1s6l s SER 115 N -0.23 0.58 -0.02 2.44 0.01 0.52 -1.18 113.70 115.81 1s6l s SER 115 Ca 0.02 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.09 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1s6l s SER 115 CO 0.01 -0.95 -0.07 -1.00 0.41 0.00 0.00 173.24 171.64 1s6l s HIS 116 N -3.90 0.74 0.20 2.43 0.09 -1.26 0.11 115.29 113.70 1s6l s HIS 116 Ca 0.38 -0.17 -0.31 0.00 -0.00 0.00 0.00 55.06 54.96 1s6l s HIS 116 Cb 0.05 -0.55 -0.10 0.00 -0.00 0.00 0.00 32.58 31.98 1s6l s HIS 116 CO 0.16 -0.09 1.52 0.00 -0.00 0.00 0.00 174.74 176.34 1s6l n ALA 118 N 3.32 2.09 0.00 0.00 0.00 -1.20 -0.54 120.51 124.19 1s6l n ALA 118 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1s6l n ALA 118 Cb 0.39 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.17 3.00 0.06 0.00 0.00 -1.26 -4.80 120.51 116.33 1s6l n ALA 119 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.12 0.44 -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 2.41 0.00 0.00 0.00 177.50 179.91 1s6l n THR 120 N -2.98 0.97 -0.95 0.00 -1.04 -1.25 -4.95 114.28 104.08 1s6l n THR 120 Ca 0.00 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 1s6l n THR 120 Cb 0.43 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1s6l n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s6l n GLY 121 N 1.32 0.50 3.70 3.41 0.00 0.30 -4.93 105.19 109.49 1s6l n GLY 121 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -2.28 1.86 -0.57 4.61 0.00 -1.26 -4.36 121.76 119.75 1s6l s ALA 122 Ca 0.00 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 1s6l s ALA 122 Cb 0.00 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1s6l s ALA 122 CO 0.00 -2.28 0.90 -1.25 0.00 0.00 0.00 175.76 173.13 1s6l s PRO 123 N -4.08 3.24 0.01 0.00 0.05 -1.26 -1.30 135.00 131.66 1s6l s PRO 123 Ca 0.74 -0.50 -0.05 0.00 0.05 0.00 0.00 61.00 61.23 1s6l s PRO 123 Cb -0.30 -4.10 -0.05 0.00 0.05 0.00 0.00 34.50 30.10 1s6l s PRO 123 CO 0.50 -1.53 0.25 0.14 0.05 0.00 0.00 177.00 176.41 1s6l s VAL 124 N 3.78 5.33 -0.16 -0.36 -7.23 0.30 -4.40 120.40 117.66 1s6l s VAL 124 Ca 0.26 0.08 -0.21 0.00 -1.81 0.00 0.00 61.98 60.30 1s6l s VAL 124 Cb -0.15 -3.56 0.05 0.00 0.56 0.00 0.00 36.38 33.29 1s6l s VAL 124 CO 0.16 0.35 0.55 -0.94 -0.31 0.00 0.00 175.10 174.90 1s6l s SER 125 N -1.78 -0.55 0.07 4.85 1.04 0.30 0.19 113.70 117.82 1s6l s SER 125 Ca 0.28 0.95 0.02 0.00 0.48 0.00 0.00 55.95 57.68 1s6l s SER 125 Cb -0.13 0.96 -0.03 0.00 0.10 0.00 0.00 66.02 66.92 1s6l s SER 125 CO 0.17 -0.29 -0.08 -0.76 0.98 0.00 0.00 173.24 173.26 1s6l s LEU 126 N -0.12 2.34 -0.31 2.42 1.02 0.32 -0.27 118.68 124.09 1s6l s LEU 126 Ca -0.03 -0.71 -0.07 0.00 0.02 0.00 0.00 54.13 53.34 1s6l s LEU 126 Cb -0.03 -0.18 0.01 0.00 0.02 0.00 0.00 46.19 46.01 1s6l s LEU 126 CO 0.03 -0.27 0.09 -0.89 0.02 0.00 0.00 176.35 175.33 1s6l s THR 127 N -2.10 3.98 -0.40 5.49 2.01 -0.60 0.98 115.64 125.00 1s6l s THR 127 Ca -0.02 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 1s6l s THR 127 Cb -0.05 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.38 1s6l s THR 127 CO -0.01 0.02 0.46 -0.69 -0.69 0.00 0.00 174.62 173.71 1s6l s VAL 128 N 1.49 5.06 0.40 3.82 1.01 0.42 -2.41 120.40 130.20 1s6l s VAL 128 Ca 0.02 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1s6l s VAL 128 Cb -0.18 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1s6l s VAL 128 CO 0.03 -0.36 0.39 -0.94 0.00 0.00 0.00 175.10 174.21 1s6l s SER 129 N 1.81 5.18 0.54 3.32 1.04 0.16 0.23 113.70 125.97 1s6l s SER 129 Ca 0.14 -0.65 0.35 0.00 0.48 0.00 0.00 55.95 56.27 1s6l s SER 129 Cb -0.16 -0.67 1.70 0.00 0.10 0.00 0.00 66.02 66.99 1s6l s SER 129 CO 0.14 -0.61 2.06 1.55 0.98 0.00 0.00 173.24 177.36 1s6l h PRO 130 N 1.02 0.00 0.00 4.02 0.13 -1.77 -3.17 132.00 132.23 1s6l h PRO 130 Ca -0.42 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 1s6l h PRO 130 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1s6l h PRO 130 CO 0.56 0.00 -1.49 0.43 -0.23 0.00 0.00 178.00 177.27 1s6l n SER 131 N -2.90 3.15 0.00 1.44 7.64 -1.26 -4.74 113.62 116.95 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 0.18 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -2.19 -0.34 -3.49 1.43 0.28 -1.20 -5.12 120.64 110.01 1s6l n GLU 132 Ca -0.10 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.65 1s6l n GLU 132 Cb 0.65 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.50 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 5.13 0.00 3.84 -4.36 -1.25 0.37 121.20 121.93 1s6l s ILE 133 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 1s6l s ILE 133 Cb 0.00 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.88 1s6l s ILE 133 CO 0.00 -0.45 0.79 0.00 0.24 0.00 0.00 174.94 175.51 1s6l n GLN 134 N -1.49 0.00 -2.80 0.37 1.13 -1.01 -4.91 117.38 108.66 1s6l n GLN 134 Ca -0.05 -0.62 -0.00 0.00 -1.94 0.00 0.00 57.00 54.39 1s6l n GLN 134 Cb 0.56 -0.32 0.01 0.00 0.11 0.00 0.00 30.24 30.60 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l s ALA 135 N 0.00 -3.96 -0.28 -1.58 0.00 -1.26 -4.89 121.76 109.78 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 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1s6l s ALA 135 CO 0.00 -2.44 0.12 0.08 0.00 0.00 0.00 175.76 173.51 1s6l s VAL 136 N 1.56 4.49 -0.15 0.00 1.01 -1.26 -1.56 120.40 124.50 1s6l s VAL 136 Ca 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1s6l s VAL 136 Cb 0.05 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1s6l s VAL 136 CO -0.12 0.19 0.25 -1.61 0.00 0.00 0.00 175.10 173.82 1s6l s GLU 137 N 1.62 0.16 0.47 2.72 2.02 0.63 -2.68 118.70 123.64 1s6l s GLU 137 Ca 0.05 0.61 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 1s6l s GLU 137 Cb -0.16 -0.32 -0.07 0.00 0.10 0.00 0.00 34.13 33.67 1s6l s GLU 137 CO 0.05 -0.38 1.22 -2.14 0.02 0.00 0.00 175.26 174.03 1s6l s PRO 138 N 2.40 3.67 0.46 0.39 0.02 -1.26 0.11 135.00 140.78 1s6l s PRO 138 Ca 0.03 1.91 0.20 0.00 0.02 0.00 0.00 61.00 63.16 1s6l s PRO 138 Cb -0.13 -2.42 1.17 0.00 0.02 0.00 0.00 34.50 33.14 1s6l s PRO 138 CO -0.09 -0.66 1.91 0.00 -0.33 0.00 0.00 177.00 177.82 1s6l h ALA 139 N 2.02 2.30 -0.93 -1.55 0.00 -1.86 -0.53 119.26 118.70 1s6l h ALA 139 Ca -0.50 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 1s6l h ALA 139 Cb 1.26 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.74 1s6l h ALA 139 CO 0.60 -0.52 0.58 0.41 0.00 0.00 0.00 179.25 180.32 1s6l n GLY 140 N -1.56 4.56 3.73 0.00 0.00 -1.26 -5.00 105.19 105.66 1s6l n GLY 140 Ca 0.15 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.30 2.02 0.09 1.61 0.00 -0.21 -3.57 119.30 115.93 1s6l s MET 141 Ca 0.56 1.49 0.05 0.00 0.00 0.00 0.00 55.69 57.79 1s6l s MET 141 Cb 0.47 -1.85 -0.03 0.00 0.00 0.00 0.00 34.83 33.42 1s6l s MET 141 CO 0.10 -1.87 -0.13 0.00 0.00 0.00 0.00 175.02 173.11 1s6l s ALA 142 N -2.45 1.25 0.16 3.16 0.00 0.34 -4.03 121.76 120.19 1s6l s ALA 142 Ca 0.68 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 51.60 1s6l s ALA 142 Cb -0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1s6l s ALA 142 CO 0.50 0.11 -0.08 0.08 0.00 0.00 0.00 175.76 176.37 1s6l s VAL 143 N -1.76 3.32 0.02 0.00 1.01 0.49 0.23 120.40 123.72 1s6l s VAL 143 Ca 0.03 -1.50 0.08 0.00 0.00 0.00 0.00 61.98 60.58 1s6l s VAL 143 Cb -0.07 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1s6l s VAL 143 CO 0.02 -0.04 -0.24 -0.44 0.00 0.00 0.00 175.10 174.40 1s6l s SER 144 N -2.66 2.87 0.30 3.32 0.01 0.34 0.37 113.70 118.25 1s6l s SER 144 Ca 0.24 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 1s6l s SER 144 Cb -0.10 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 1s6l s SER 144 CO 0.15 0.25 0.37 -0.76 0.41 0.00 0.00 173.24 173.66 1s6l s LEU 145 N -1.00 1.12 -0.06 2.44 1.02 -0.03 -2.42 118.68 119.74 1s6l s LEU 145 Ca 0.10 -1.46 0.04 0.00 0.02 0.00 0.00 54.13 52.82 1s6l s LEU 145 Cb -0.09 1.11 0.00 0.00 0.02 0.00 0.00 46.19 47.23 1s6l s LEU 145 CO 0.01 -1.15 -0.17 -0.69 0.02 0.00 0.00 176.35 174.37 1s6l s VAL 146 N -3.46 1.49 -0.07 -1.59 1.01 -1.26 -1.06 120.40 115.46 1s6l s VAL 146 Ca 0.33 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1s6l s VAL 146 Cb 0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1s6l s VAL 146 CO 0.19 0.43 0.13 -0.07 0.00 0.00 0.00 175.10 175.78 1s6l h LEU 147 N 6.57 -0.08 0.00 3.92 4.07 -1.91 -3.48 115.31 124.40 1s6l h LEU 147 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1s6l h LEU 147 Cb 1.19 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1s6l h LEU 147 CO 0.47 0.32 0.00 -0.81 -1.08 0.00 0.00 178.44 177.35 1s6l n PRO 148 N -4.38 -0.05 -3.21 1.13 -0.04 -1.26 -5.09 135.00 122.10 1s6l n PRO 148 Ca -0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1s6l n PRO 148 Cb 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 1s6l n PRO 148 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1s6l s GLN 149 N -2.42 0.16 -0.01 0.54 -2.07 -1.26 -4.96 119.66 109.63 1s6l s GLN 149 Ca 0.00 0.33 0.06 0.00 -1.82 0.00 0.00 55.36 53.93 1s6l s GLN 149 Cb 0.00 0.19 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 1s6l s GLN 149 CO 0.00 -0.11 0.12 0.39 -1.32 0.00 0.00 175.29 174.36 1s6l n GLU 150 N 5.15 0.54 -3.66 9.60 1.02 -1.26 -4.84 120.64 127.19 1s6l n GLU 150 Ca -0.08 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.74 1s6l n GLU 150 Cb 0.54 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.71 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s6l n ALA 151 N -1.77 3.19 -2.65 0.62 0.00 -1.26 -4.88 120.51 113.75 1s6l n ALA 151 Ca -0.02 -3.92 -0.02 0.00 0.00 0.00 0.00 53.44 49.48 1s6l n ALA 151 Cb 0.22 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 18.87 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 2.27 -3.32 0.00 0.00 0.00 -1.26 -4.28 120.51 113.92 1s6l n ALA 152 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1s6l n ALA 152 Cb 0.41 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.75 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 0.40 0.00 -0.14 0.00 2.03 -1.26 -4.66 116.55 112.92 1s6l n ASP 153 Ca -0.10 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.13 1s6l n ASP 153 Cb 0.75 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 1s6l n ASP 153 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1s6l h VAL 154 N 0.00 1.16 -0.05 5.18 -1.51 -1.95 -3.32 116.25 115.76 1s6l h VAL 154 Ca 0.00 -0.41 -0.16 0.00 -1.23 0.00 0.00 66.70 64.90 1s6l h VAL 154 Cb 0.00 0.64 -0.32 0.00 -2.13 0.00 0.00 31.29 29.48 1s6l h VAL 154 CO 0.00 0.17 -0.94 0.54 -1.23 0.00 0.00 177.57 176.11 1s6l n ARG 155 N -4.71 0.54 -3.49 5.19 1.74 -1.26 -4.98 116.66 109.69 1s6l n ARG 155 Ca 0.01 -2.43 -0.20 0.00 -0.77 0.00 0.00 57.85 54.46 1s6l n ARG 155 Cb 0.08 -0.50 0.08 0.00 -1.02 0.00 0.00 32.46 31.10 1s6l n ARG 155 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1s6l n GLN 156 N 0.07 -7.19 -2.28 5.56 6.02 -1.25 -4.94 117.38 113.36 1s6l n GLN 156 Ca 0.09 0.82 -0.41 0.00 -0.01 0.00 0.00 57.00 57.50 1s6l n GLN 156 Cb 1.03 -5.80 -0.03 0.00 1.02 0.00 0.00 30.24 26.45 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1s6l s SER 157 N -3.79 6.99 -0.32 1.08 0.01 -1.26 -4.87 113.70 111.54 1s6l s SER 157 Ca 0.30 2.45 0.03 0.00 1.31 0.00 0.00 55.95 60.04 1s6l s SER 157 Cb -0.13 -2.63 0.32 0.00 0.21 0.00 0.00 66.02 63.78 1s6l s SER 157 CO 0.71 -0.39 1.38 0.33 0.41 0.00 0.00 173.24 175.69 1s6l n PHE 158 N 1.44 -0.33 -0.33 2.43 7.35 -1.26 -3.98 117.46 122.78 1s6l n PHE 158 Ca 0.01 -0.67 0.00 0.00 -0.76 0.00 0.00 57.45 56.03 1s6l n PHE 158 Cb 0.43 1.14 0.14 0.00 0.35 0.00 0.00 39.48 41.54 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s6l n HIS 161 N -0.14 0.00 -3.17 0.00 -0.00 -1.26 -4.85 115.22 105.79 1s6l n HIS 161 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 1s6l n HIS 161 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 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 0.00 4.90 0.34 1.59 1.01 -1.26 -4.34 120.40 122.64 1s6l s VAL 162 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1s6l s VAL 162 Cb 0.00 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1s6l s VAL 162 CO 0.00 -0.87 0.03 -2.28 0.00 0.00 0.00 175.10 171.98 1s6l s HIS 163 N 2.52 2.09 0.14 5.22 2.46 -1.02 -3.26 115.29 123.44 1s6l s HIS 163 Ca 0.13 -0.86 0.08 0.00 0.47 0.00 0.00 55.06 54.87 1s6l s HIS 163 Cb -0.21 -1.37 -0.04 0.00 -0.13 0.00 0.00 32.58 30.83 1s6l s HIS 163 CO 0.10 0.14 -0.08 -0.06 -2.47 0.00 0.00 174.74 172.37 1s6l s PHE 164 N -3.13 2.72 -0.02 3.88 0.40 -1.26 0.13 117.98 120.69 1s6l s PHE 164 Ca 0.35 -0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.54 1s6l s PHE 164 Cb 0.08 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.24 1s6l s PHE 164 CO 0.16 0.47 -0.10 -0.06 0.70 0.00 0.00 175.22 176.39 1s6l s PHE 165 N -1.48 1.03 0.60 0.36 0.40 0.63 -3.24 117.98 116.29 1s6l s PHE 165 Ca 0.24 -0.25 0.28 0.00 -0.60 0.00 0.00 56.93 56.60 1s6l s PHE 165 Cb -0.10 -0.71 1.27 0.00 0.51 0.00 0.00 43.02 43.99 1s6l s PHE 165 CO 0.15 -0.08 1.68 0.00 0.70 0.00 0.00 175.22 177.66 1s6l h ALA 166 N 6.24 2.40 -2.53 5.36 0.00 -1.89 0.98 119.26 129.82 1s6l h ALA 166 Ca -0.33 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.69 1s6l h ALA 166 Cb 1.17 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1s6l h ALA 166 CO 0.49 -1.07 0.41 -1.12 0.00 0.00 0.00 179.25 177.96 1s6l s SER 167 N -4.51 -0.25 0.27 0.00 0.01 -1.26 -3.33 113.70 104.63 1s6l s SER 167 Ca -0.04 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1s6l s SER 167 Cb 0.14 0.53 0.38 0.00 0.21 0.00 0.00 66.02 67.28 1s6l s SER 167 CO 0.50 -0.96 1.69 0.58 0.41 0.00 0.00 173.24 175.45 1s6l h VAL 168 N 2.00 1.28 -0.15 3.43 2.07 -1.83 1.01 116.25 124.06 1s6l h VAL 168 Ca -0.23 -1.38 -0.18 0.00 0.82 0.00 0.00 66.70 65.72 1s6l h VAL 168 Cb 1.24 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1s6l h VAL 168 CO 0.27 0.43 -0.66 -0.65 0.02 0.00 0.00 177.57 176.98 1s6l h PRO 169 N 0.39 0.59 0.02 1.57 0.11 -1.95 0.94 132.00 133.68 1s6l h PRO 169 Ca 0.05 -0.43 -0.26 0.00 0.11 0.00 0.00 66.00 65.47 1s6l h PRO 169 Cb 0.75 0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.95 1s6l h PRO 169 CO 0.06 1.05 -1.02 1.15 -0.21 0.00 0.00 178.00 179.03 1s6l h THR 170 N 0.43 1.30 -0.35 -1.15 2.02 -1.92 5.60 112.91 118.84 1s6l h THR 170 Ca -0.02 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 1s6l h THR 170 Cb 1.24 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1s6l h THR 170 CO 0.13 0.69 0.20 0.00 0.37 0.00 0.00 175.52 176.90 1s6l h ALA 171 N 0.37 0.45 0.00 6.16 0.00 0.12 1.00 119.26 127.36 1s6l h ALA 171 Ca -0.13 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1s6l h ALA 171 Cb 1.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1s6l h ALA 171 CO 0.20 -0.03 -0.68 0.93 0.00 0.00 0.00 179.25 179.67 1s6l h GLU 172 N 0.45 0.00 0.29 0.00 4.39 0.10 0.10 114.58 119.91 1s6l h GLU 172 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1s6l h GLU 172 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1s6l h GLU 172 CO -0.02 0.68 -0.14 0.22 -1.16 0.00 0.00 179.01 178.59 1s6l h ASP 173 N 0.00 -0.33 0.35 1.42 3.58 1.22 0.40 116.42 123.06 1s6l h ASP 173 Ca -0.01 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 1s6l h ASP 173 Cb 1.48 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 1s6l h ASP 173 CO 0.09 0.12 -0.25 -0.25 -2.88 0.00 0.00 179.24 176.07 1s6l h TRP 174 N -0.90 0.00 -0.70 0.28 2.91 0.92 -1.85 115.95 116.61 1s6l h TRP 174 Ca -0.04 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.92 1s6l h TRP 174 Cb 0.51 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.13 1s6l h TRP 174 CO 0.04 0.25 0.19 0.00 -1.03 0.00 0.00 178.44 177.89 1s6l h ALA 175 N 1.75 1.01 -0.85 2.65 0.00 -0.65 -2.27 119.26 120.90 1s6l h ALA 175 Ca -0.00 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1s6l h ALA 175 Cb 0.49 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1s6l h ALA 175 CO 0.03 0.65 0.47 1.03 0.00 0.00 0.00 179.25 181.43 1s6l h SER 176 N 1.05 0.63 -0.41 0.00 0.87 -0.03 0.30 113.55 115.96 1s6l h SER 176 Ca 0.22 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1s6l h SER 176 Cb 0.34 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1s6l h SER 176 CO -0.00 0.32 0.00 1.17 -0.53 0.00 0.00 176.83 177.78 1s6l n LYS 177 N -4.79 3.42 -0.30 2.24 3.00 -0.97 -3.80 118.16 116.95 1s6l n LYS 177 Ca 0.16 -2.08 0.08 0.00 -0.00 0.00 0.00 58.31 56.47 1s6l n LYS 177 Cb 0.36 -1.93 0.17 0.00 0.00 0.00 0.00 35.03 33.63 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1s6l n HIS 178 N 0.51 0.00 -2.56 5.64 8.25 0.10 -5.04 115.22 122.11 1s6l n HIS 178 Ca 0.18 -1.19 -0.16 0.00 -0.26 0.00 0.00 57.72 56.30 1s6l n HIS 178 Cb 0.82 -0.19 0.08 0.00 1.12 0.00 0.00 29.99 31.82 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 -1.28 0.19 0.00 -0.41 6.02 -1.19 -4.57 117.38 116.14 1s6l n GLN 179 Ca 0.17 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 1s6l n GLN 179 Cb 0.66 -0.42 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1s6l n GLN 179 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s6l n GLY 180 N -0.25 2.83 1.56 1.08 0.00 -1.26 -5.03 105.19 104.12 1s6l n GLY 180 Ca 0.11 -0.15 -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 0.23 0.99 4.77 -1.26 -4.88 117.00 116.84 1s6l n LEU 181 Ca 0.00 -0.46 0.08 0.00 -0.03 0.00 0.00 56.01 55.60 1s6l n LEU 181 Cb 0.00 -0.47 0.54 0.00 -2.33 0.00 0.00 43.42 41.16 1s6l n LEU 181 CO 0.00 -1.93 0.86 -0.33 -1.33 0.00 0.00 177.39 174.66 1s6l h GLU 182 N 0.00 0.00 0.00 3.23 4.39 -1.97 -3.47 114.58 116.76 1s6l h GLU 182 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1s6l h GLU 182 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1s6l h GLU 182 CO 0.12 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.60 1s6l n GLY 183 N -0.55 1.89 3.65 -3.84 0.00 -1.26 -4.76 105.19 100.31 1s6l n GLY 183 Ca -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 1s6l n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6l s LEU 184 N 0.00 -0.04 0.01 0.99 0.20 -1.26 -4.57 118.68 114.01 1s6l s LEU 184 Ca 0.00 0.07 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 1s6l s LEU 184 Cb 0.00 1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 46.82 1s6l s LEU 184 CO 0.00 -0.01 0.06 0.00 -0.29 0.00 0.00 176.35 176.11 1s6l s ALA 185 N 0.25 -0.11 0.27 5.97 0.00 -0.23 -4.91 121.76 122.99 1s6l s ALA 185 Ca 0.04 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1s6l s ALA 185 Cb -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1s6l s ALA 185 CO -0.15 -0.19 0.34 0.42 0.00 0.00 0.00 175.76 176.19 1s6l s ILE 186 N -1.47 4.77 0.15 0.00 -1.09 -1.26 -0.85 121.20 121.45 1s6l s ILE 186 Ca -0.15 -1.10 -0.23 0.00 -2.23 0.00 0.00 60.65 56.94 1s6l s ILE 186 Cb -0.08 -3.64 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 1s6l s ILE 186 CO 0.00 -0.29 0.60 0.68 -1.23 0.00 0.00 174.94 174.70 1s6l s VAL 187 N -2.07 0.00 -0.12 2.92 -7.23 0.16 -4.94 120.40 109.12 1s6l s VAL 187 Ca 0.36 -0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 60.32 1s6l s VAL 187 Cb -0.09 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 1s6l s VAL 187 CO 0.28 -0.01 0.57 -0.94 -0.31 0.00 0.00 175.10 174.70 1s6l s SER 188 N -2.72 6.77 0.61 4.85 1.04 -1.26 0.19 113.70 123.17 1s6l s SER 188 Ca 0.01 0.92 0.16 0.00 0.48 0.00 0.00 55.95 57.52 1s6l s SER 188 Cb -0.01 -2.33 0.86 0.00 0.10 0.00 0.00 66.02 64.64 1s6l s SER 188 CO -0.12 -0.09 1.46 -0.37 0.98 0.00 0.00 173.24 175.10 1s6l h VAL 189 N 4.83 0.00 -0.16 5.02 -1.51 -1.90 0.97 116.25 123.51 1s6l h VAL 189 Ca -0.39 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.91 1s6l h VAL 189 Cb 1.18 0.35 0.01 0.00 -2.13 0.00 0.00 31.29 30.70 1s6l h VAL 189 CO 0.76 0.00 -0.57 -0.74 -1.23 0.00 0.00 177.57 175.79 1s6l h HIS 190 N 0.00 0.87 0.00 5.19 -0.00 -1.91 -2.82 115.15 116.49 1s6l h HIS 190 Ca 0.00 -0.36 -0.14 0.00 -0.00 0.00 0.00 60.37 59.87 1s6l h HIS 190 Cb 1.18 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 1s6l h HIS 190 CO 0.00 1.16 -0.79 1.05 -0.00 0.00 0.00 177.93 179.35 1s6l h GLU 191 N 0.34 0.00 0.00 5.26 4.11 0.42 -3.23 114.58 121.48 1s6l h GLU 191 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1s6l h GLU 191 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1s6l h GLU 191 CO 0.12 0.55 -0.15 0.00 0.07 0.00 0.00 179.01 179.60 1s6l h ALA 192 N 1.38 1.24 0.00 1.06 0.00 -0.67 -0.71 119.26 121.56 1s6l h ALA 192 Ca -0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1s6l h ALA 192 Cb 1.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1s6l h ALA 192 CO 0.07 0.19 -0.67 0.35 0.00 0.00 0.00 179.25 179.20 1s6l h PHE 193 N 0.00 0.00 0.04 0.00 3.04 -1.51 -1.25 116.94 117.26 1s6l h PHE 193 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.69 1s6l h PHE 193 Cb 0.43 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 1s6l h PHE 193 CO 0.00 0.56 -1.29 0.78 -2.02 0.00 0.00 178.31 176.34 1s6l h GLY 194 N 3.48 0.09 1.92 2.40 0.00 -1.43 0.26 103.07 109.79 1s6l h GLY 194 Ca -0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1s6l h GLY 194 CO 0.07 0.21 -0.92 -2.00 0.00 0.00 0.00 176.54 173.90 1s6l h LEU 195 N 0.02 0.00 0.00 3.11 5.85 -1.22 -1.99 115.31 121.09 1s6l h LEU 195 Ca -0.13 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1s6l h LEU 195 Cb 1.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 1s6l h LEU 195 CO 0.13 0.85 -0.72 1.23 -0.34 0.00 0.00 178.44 179.60 1s6l h GLY 196 N 3.18 0.00 1.78 3.75 0.00 -1.26 -3.24 103.07 107.29 1s6l h GLY 196 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1s6l h GLY 196 CO 0.11 0.00 -0.43 1.46 0.00 0.00 0.00 176.54 177.68 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.20 -0.87 -3.25 115.11 119.99 1s6l h GLN 197 Ca -0.04 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1s6l h GLN 197 Cb 1.40 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 1s6l h GLN 197 CO 0.06 0.20 -0.25 1.49 -0.67 0.00 0.00 178.83 179.66 1s6l h GLU 198 N 0.00 0.00 -1.00 1.46 4.57 -1.38 -3.26 114.58 114.97 1s6l h GLU 198 Ca -0.02 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.34 1s6l h GLU 198 Cb 1.19 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 1s6l h GLU 198 CO 0.03 0.25 0.62 0.35 -1.18 0.00 0.00 179.01 179.07 1s6l h PHE 199 N 0.00 1.04 0.14 0.92 3.57 -1.60 0.38 116.94 121.39 1s6l h PHE 199 Ca -0.00 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 1s6l h PHE 199 Cb 1.08 -0.32 0.02 0.00 2.79 0.00 0.00 35.95 39.51 1s6l h PHE 199 CO 0.00 0.28 -0.94 -0.97 -2.23 0.00 0.00 178.31 174.46 1s6l h ASN 200 N 0.79 0.46 -0.59 0.41 -1.24 -1.78 -3.32 115.58 110.31 1s6l h ASN 200 Ca 0.55 -0.93 0.04 0.00 0.71 0.00 0.00 56.30 56.67 1s6l h ASN 200 Cb 0.82 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.69 1s6l h ASN 200 CO -0.33 1.44 0.39 -0.09 -1.29 0.00 0.00 177.43 177.55 1s6l h ARG 201 N -0.35 0.64 -0.05 6.67 9.65 -1.42 -0.90 114.38 128.62 1s6l h ARG 201 Ca -0.17 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1s6l h ARG 201 Cb 1.67 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1s6l h ARG 201 CO 0.14 0.42 0.03 0.45 2.80 0.00 0.00 179.97 183.81 1s6l h HIS 202 N 0.66 0.04 -0.31 2.20 3.86 -0.37 -2.22 115.15 119.00 1s6l h HIS 202 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1s6l h HIS 202 Cb 0.14 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1s6l h HIS 202 CO -0.00 0.02 0.20 1.25 0.86 0.00 0.00 177.93 180.26 1s6l h LEU 203 N 0.04 0.37 0.15 2.43 5.85 -1.27 -3.11 115.31 119.77 1s6l h LEU 203 Ca 0.02 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1s6l h LEU 203 Cb 0.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1s6l h LEU 203 CO -0.00 0.30 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.25 1s6l h LEU 204 N 0.41 -0.17 2.38 2.25 -0.00 -1.48 -3.47 115.31 115.22 1s6l h LEU 204 Ca 0.11 -0.22 -0.40 0.00 -0.00 0.00 0.00 57.88 57.38 1s6l h LEU 204 Cb -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1s6l h LEU 204 CO -0.02 0.13 -0.54 0.00 -0.00 0.00 0.00 178.44 178.00 1s6l n GLN 205 N -5.05 -2.64 -3.56 1.13 6.02 -0.99 -4.95 117.38 107.33 1s6l n GLN 205 Ca -0.09 0.95 -0.39 0.00 -0.01 0.00 0.00 57.00 57.45 1s6l n GLN 205 Cb 0.20 -5.67 -0.11 0.00 1.02 0.00 0.00 30.24 25.69 1s6l n GLN 205 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1s6l s THR 206 N -3.05 5.18 -0.21 5.09 -1.32 -1.26 -4.88 115.64 115.18 1s6l s THR 206 Ca 0.09 -0.16 0.11 0.00 -1.21 0.00 0.00 61.69 60.52 1s6l s THR 206 Cb -0.04 -3.61 0.29 0.00 -1.51 0.00 0.00 72.50 67.63 1s6l s THR 206 CO 0.11 0.06 1.32 0.23 -2.21 0.00 0.00 174.62 174.13 1s6l n MET 207 N 5.08 0.90 -3.83 7.08 2.81 -1.26 -5.14 117.12 122.76 1s6l n MET 207 Ca -0.13 -1.40 -0.08 0.00 -1.81 0.00 0.00 57.70 54.28 1s6l n MET 207 Cb 0.50 0.24 0.00 0.00 -0.71 0.00 0.00 33.22 33.25 1s6l n MET 207 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1s6l s SER 208 N -1.38 -0.14 0.07 7.83 0.01 -1.26 -5.11 113.70 113.72 1s6l s SER 208 Ca 0.09 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1s6l s SER 208 Cb 0.29 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.30 1s6l s SER 208 CO -0.08 -1.48 0.00 -1.54 0.41 0.00 0.00 173.24 170.55 1s6l n SER 209 N -0.89 -0.61 -3.36 2.44 3.41 -1.26 -5.15 113.62 108.19 1s6l n SER 209 Ca -0.06 0.14 -0.24 0.00 -0.26 0.00 0.00 58.87 58.45 1s6l n SER 209 Cb 0.59 0.96 0.20 0.00 -0.26 0.00 0.00 64.21 65.71 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 -2.58 -2.53 0.00 4.33 5.12 -1.26 -4.97 116.66 114.77 1s6l n ARG 210 Ca 0.00 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.50 1s6l n ARG 210 Cb 0.00 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1s6l n THR 211 N -4.28 0.00 0.00 0.55 -1.04 -1.26 -5.25 114.28 103.00 1s6l n THR 211 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1s6l n THR 211 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1s6l n THR 211 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78