#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 2.46 -0.05 0.00 2.03 -1.26 -4.82 116.55 114.91 1s6l n ASP 22 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.26 1s6l n ASP 22 Cb 0.00 -0.21 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 1s6l n ASP 22 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1s6l n LEU 23 N -3.01 0.43 -3.93 -2.67 4.77 -1.26 -5.07 117.00 106.27 1s6l n LEU 23 Ca -0.19 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.69 1s6l n LEU 23 Cb 0.68 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 1s6l n LEU 23 CO 0.07 0.32 0.17 -0.22 -1.33 0.00 0.00 177.39 176.40 1s6l s LEU 24 N -4.89 0.37 -0.46 2.23 0.20 -1.26 -5.13 118.68 109.74 1s6l s LEU 24 Ca -0.07 -0.80 -0.07 0.00 0.69 0.00 0.00 54.13 53.88 1s6l s LEU 24 Cb 0.03 1.77 0.12 0.00 -0.43 0.00 0.00 46.19 47.68 1s6l s LEU 24 CO 0.40 -1.08 0.31 0.54 -0.29 0.00 0.00 176.35 176.23 1s6l s VAL 25 N -3.97 3.95 0.67 1.68 0.11 -1.26 -4.34 120.40 117.23 1s6l s VAL 25 Ca 0.18 -1.90 0.34 0.00 -2.93 0.00 0.00 61.98 57.67 1s6l s VAL 25 Cb -0.00 -3.63 0.34 0.00 -1.53 0.00 0.00 36.38 31.56 1s6l s VAL 25 CO 0.04 -0.76 2.04 -0.65 -3.33 0.00 0.00 175.10 172.45 1s6l h PRO 26 N 8.30 0.00 0.05 1.54 0.11 -2.00 -2.85 132.00 137.15 1s6l h PRO 26 Ca -0.18 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.95 1s6l h PRO 26 Cb 1.06 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1s6l h PRO 26 CO 0.81 0.00 -0.42 -0.07 -0.21 0.00 0.00 178.00 178.11 1s6l h LEU 27 N 0.00 -1.25 -1.56 2.35 4.07 -1.98 0.35 115.31 117.28 1s6l h LEU 27 Ca 0.00 0.15 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 1s6l h LEU 27 Cb 0.49 0.48 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1s6l h LEU 27 CO 0.00 -0.47 -0.22 0.17 -1.08 0.00 0.00 178.44 176.83 1s6l h LEU 28 N -0.61 0.00 0.19 1.67 8.10 -1.90 0.66 115.31 123.42 1s6l h LEU 28 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 1s6l h LEU 28 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1s6l h LEU 28 CO -0.28 0.22 -0.09 0.03 -4.11 0.00 0.00 178.44 174.21 1s6l h ARG 29 N 0.00 -0.24 -0.01 0.17 3.08 -1.29 0.85 114.38 116.94 1s6l h ARG 29 Ca -0.00 0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1s6l h ARG 29 Cb 0.49 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1s6l h ARG 29 CO 0.03 0.13 -0.65 1.49 -1.07 0.00 0.00 179.97 179.91 1s6l h GLU 30 N -0.70 0.03 -0.14 0.04 4.57 -0.24 -3.17 114.58 114.96 1s6l h GLU 30 Ca -0.03 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 57.99 1s6l h GLU 30 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1s6l h GLU 30 CO 0.04 0.66 -0.47 1.25 -1.18 0.00 0.00 179.01 179.31 1s6l h LEU 31 N 0.02 0.66 -1.99 1.64 5.85 0.38 -3.06 115.31 118.82 1s6l h LEU 31 Ca -0.01 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 58.25 1s6l h LEU 31 Cb 1.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1s6l h LEU 31 CO 0.09 1.15 0.45 0.00 -0.34 0.00 0.00 178.44 179.78 1s6l h ALA 32 N 0.53 2.23 0.00 1.25 0.00 0.76 0.92 119.26 124.95 1s6l h ALA 32 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s6l h ALA 32 Cb 1.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1s6l h ALA 32 CO 0.10 -0.69 -0.02 0.87 0.00 0.00 0.00 179.25 179.51 1s6l h LYS 33 N 0.00 0.00 -5.13 0.00 1.57 -1.56 -3.47 116.57 107.99 1s6l h LYS 33 Ca 0.22 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.70 1s6l h LYS 33 Cb 1.11 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.56 1s6l h LYS 33 CO -0.00 0.02 -0.64 0.41 -0.57 0.00 0.00 179.45 178.67 1s6l n GLY 34 N -0.37 -0.27 3.11 3.86 0.00 0.32 -5.04 105.19 106.80 1s6l n GLY 34 Ca -0.01 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.41 0.69 -0.50 1.61 1.81 -1.26 -5.08 118.95 110.81 1s6l s ARG 35 Ca 0.13 -0.79 -0.31 0.00 -1.72 0.00 0.00 55.73 53.04 1s6l s ARG 35 Cb -0.06 -0.60 -0.12 0.00 -0.45 0.00 0.00 34.95 33.72 1s6l s ARG 35 CO 0.62 0.13 2.35 -2.30 -0.68 0.00 0.00 175.30 175.42 1s6l n PRO 36 N 1.57 0.93 -3.68 3.54 -0.02 -1.26 -4.90 135.00 131.17 1s6l n PRO 36 Ca -0.21 0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 1s6l n PRO 36 Cb 0.55 -2.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.30 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 9.04 4.14 0.82 -1.45 0.11 -1.26 -5.05 120.40 126.76 1s6l s VAL 37 Ca 1.11 -1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1s6l s VAL 37 Cb -0.71 -3.33 0.18 0.00 -1.53 0.00 0.00 36.38 30.98 1s6l s VAL 37 CO 0.42 -0.21 1.13 -1.54 -3.33 0.00 0.00 175.10 171.56 1s6l n SER 38 N 4.90 0.77 0.01 3.54 3.41 -1.26 -2.45 113.62 122.54 1s6l n SER 38 Ca -0.12 -1.83 -0.10 0.00 -0.26 0.00 0.00 58.87 56.56 1s6l n SER 38 Cb 0.45 -0.80 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1s6l n SER 38 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1s6l h ARG 39 N 0.00 0.55 0.00 4.33 -0.00 -1.97 0.22 114.38 117.51 1s6l h ARG 39 Ca -0.37 -0.38 -0.06 0.00 -0.00 0.00 0.00 59.98 59.18 1s6l h ARG 39 Cb 1.18 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 1s6l h ARG 39 CO 0.33 0.99 -0.28 1.79 -0.00 0.00 0.00 179.97 182.80 1s6l h THR 40 N 0.41 0.94 0.16 0.08 1.35 -1.96 1.41 112.91 115.31 1s6l h THR 40 Ca -0.01 -1.06 -0.32 0.00 -0.55 0.00 0.00 66.41 64.48 1s6l h THR 40 Cb 1.17 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1s6l h THR 40 CO 0.11 0.27 -1.58 0.74 -0.25 0.00 0.00 175.52 174.82 1s6l h THR 41 N 0.00 1.00 -0.51 6.82 2.02 -1.90 1.03 112.91 121.37 1s6l h THR 41 Ca -0.00 -2.47 -0.05 0.00 0.77 0.00 0.00 66.41 64.66 1s6l h THR 41 Cb 0.59 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1s6l h THR 41 CO 0.04 0.79 0.13 0.25 0.37 0.00 0.00 175.52 177.10 1s6l h LEU 42 N -0.07 0.72 -0.13 2.58 5.85 -0.30 1.87 115.31 125.83 1s6l h LEU 42 Ca -0.32 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.11 1s6l h LEU 42 Cb 1.95 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.80 1s6l h LEU 42 CO 0.13 0.71 -0.56 0.00 -0.34 0.00 0.00 178.44 178.38 1s6l h ALA 43 N 1.39 0.24 -0.05 1.25 0.00 0.19 0.12 119.26 122.39 1s6l h ALA 43 Ca 0.17 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 43 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s6l h ALA 43 CO -0.00 0.46 -0.39 0.78 0.00 0.00 0.00 179.25 180.10 1s6l h GLY 44 N 0.25 0.12 0.73 0.00 0.00 0.19 0.41 103.07 104.77 1s6l h GLY 44 Ca -0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1s6l h GLY 44 CO 0.12 0.10 -0.76 -2.22 0.00 0.00 0.00 176.54 173.77 1s6l h ILE 45 N 0.09 1.49 0.00 2.60 2.04 0.29 -3.16 117.51 120.86 1s6l h ILE 45 Ca 0.01 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1s6l h ILE 45 Cb 0.74 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1s6l h ILE 45 CO 0.06 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.07 1s6l n LEU 46 N -4.15 0.00 -1.77 1.44 4.32 0.40 -4.84 117.00 112.41 1s6l n LEU 46 Ca -0.13 0.49 -0.20 0.00 -0.02 0.00 0.00 56.01 56.15 1s6l n LEU 46 Cb 0.78 -0.49 -0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1s6l n LEU 46 CO 0.48 -0.08 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.69 1s6l n ASP 47 N -1.49 -5.45 -4.76 -1.43 2.03 0.12 -4.95 116.55 100.63 1s6l n ASP 47 Ca 0.06 0.39 -0.33 0.00 0.52 0.00 0.00 54.79 55.43 1s6l n ASP 47 Cb 0.28 -4.76 -0.07 0.00 -0.72 0.00 0.00 41.12 35.84 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1s6l s TRP 48 N -2.79 3.25 0.31 -0.67 0.52 0.08 -4.99 118.94 114.66 1s6l s TRP 48 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 56.10 56.02 1s6l s TRP 48 Cb 0.00 -1.74 -0.13 0.00 -1.15 0.00 0.00 33.47 30.46 1s6l s TRP 48 CO 0.00 0.54 1.34 -2.30 0.02 0.00 0.00 176.95 176.55 1s6l n PRO 49 N 1.31 2.14 0.30 4.98 -0.02 -1.26 -4.46 135.00 137.98 1s6l n PRO 49 Ca -0.14 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1s6l n PRO 49 Cb 0.53 -2.37 0.60 0.00 -0.02 0.00 0.00 33.50 32.24 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 3.15 1.40 0.04 3.55 0.00 -1.91 0.28 119.26 125.78 1s6l h ALA 50 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1s6l h ALA 50 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1s6l h ALA 50 CO 0.67 -0.40 -1.02 0.93 0.00 0.00 0.00 179.25 179.43 1s6l h GLU 51 N 0.00 0.12 -0.52 0.00 5.08 -1.98 -2.09 114.58 115.19 1s6l h GLU 51 Ca 0.00 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1s6l h GLU 51 Cb 0.86 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1s6l h GLU 51 CO 0.00 1.03 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.85 1s6l h ARG 52 N 0.05 0.99 -0.15 2.33 9.65 -0.78 0.22 114.38 126.69 1s6l h ARG 52 Ca -0.05 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.45 1s6l h ARG 52 Cb 1.73 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.24 1s6l h ARG 52 CO 0.15 1.05 0.08 0.28 2.80 0.00 0.00 179.97 184.32 1s6l h VAL 53 N 0.86 1.12 -0.13 0.20 2.07 -1.53 -0.76 116.25 118.08 1s6l h VAL 53 Ca 0.14 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1s6l h VAL 53 Cb 0.67 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1s6l h VAL 53 CO 0.05 0.11 -0.20 0.00 0.02 0.00 0.00 177.57 177.55 1s6l h ALA 54 N 0.95 -0.15 -0.58 1.67 0.00 -1.03 0.39 119.26 120.51 1s6l h ALA 54 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1s6l h ALA 54 Cb 0.11 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1s6l h ALA 54 CO -0.01 -0.66 0.23 0.00 0.00 0.00 0.00 179.25 178.82 1s6l h ALA 55 N 0.74 0.75 0.00 0.00 0.00 -0.34 0.11 119.26 120.53 1s6l h ALA 55 Ca 0.10 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1s6l h ALA 55 Cb 0.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1s6l h ALA 55 CO -0.28 -0.17 -0.41 0.28 0.00 0.00 0.00 179.25 178.67 1s6l h VAL 56 N 0.43 1.23 -0.20 0.00 2.07 -0.39 -2.91 116.25 116.47 1s6l h VAL 56 Ca 0.29 -1.44 -0.19 0.00 0.82 0.00 0.00 66.70 66.17 1s6l h VAL 56 Cb 0.32 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1s6l h VAL 56 CO -0.27 0.40 -0.64 -0.07 0.02 0.00 0.00 177.57 177.01 1s6l h LEU 57 N 0.00 0.83 -0.54 2.57 -0.00 0.15 -3.15 115.31 115.18 1s6l h LEU 57 Ca -0.00 -0.49 0.04 0.00 -0.00 0.00 0.00 57.88 57.42 1s6l h LEU 57 Cb 0.76 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.14 1s6l h LEU 57 CO 0.05 1.26 0.30 -0.33 -0.00 0.00 0.00 178.44 179.73 1s6l h GLU 58 N 0.53 0.58 0.00 1.13 4.39 -0.66 0.20 114.58 120.75 1s6l h GLU 58 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1s6l h GLU 58 Cb 1.24 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1s6l h GLU 58 CO 0.13 0.38 0.00 1.96 -1.16 0.00 0.00 179.01 180.32 1s6l h GLN 59 N 0.60 0.00 -2.55 2.33 4.20 -1.54 -3.19 115.11 114.96 1s6l h GLN 59 Ca 0.23 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 58.21 1s6l h GLN 59 Cb 0.08 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.53 1s6l h GLN 59 CO -0.13 0.00 0.32 0.00 -0.67 0.00 0.00 178.83 178.35 1s6l n ALA 60 N -1.92 4.98 0.70 3.87 0.00 0.06 -4.78 120.51 123.42 1s6l n ALA 60 Ca -0.01 -4.76 0.09 0.00 0.00 0.00 0.00 53.44 48.76 1s6l n ALA 60 Cb 0.15 -1.78 0.41 0.00 0.00 0.00 0.00 19.45 18.23 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 0.83 0.66 -1.87 0.00 -2.24 -1.21 -2.93 114.28 107.51 1s6l n THR 61 Ca 0.31 0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.98 1s6l n THR 61 Cb 0.35 -0.85 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.43 5.68 -4.87 3.42 7.64 -1.26 -5.01 113.62 117.78 1s6l n SER 62 Ca 0.06 -3.76 -0.36 0.00 1.01 0.00 0.00 58.87 55.82 1s6l n SER 62 Cb 0.19 -0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 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 -4.72 5.38 -0.06 0.44 2.01 -1.15 -5.07 115.64 112.46 1s6l s THR 63 Ca 0.54 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 1s6l s THR 63 Cb 0.44 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1s6l s THR 63 CO 0.00 0.55 1.05 -1.61 -0.69 0.00 0.00 174.62 173.92 1s6l s GLU 64 N -1.22 4.44 0.35 4.92 0.41 -1.26 -5.04 118.70 121.29 1s6l s GLU 64 Ca 0.18 1.48 0.09 0.00 -0.41 0.00 0.00 54.97 56.30 1s6l s GLU 64 Cb -0.12 -3.51 -0.05 0.00 -1.78 0.00 0.00 34.13 28.66 1s6l s GLU 64 CO 0.07 -0.28 0.05 0.71 -0.49 0.00 0.00 175.26 175.33 1s6l s TYR 65 N 1.76 2.58 -0.12 1.61 2.02 -1.26 -3.09 117.35 120.85 1s6l s TYR 65 Ca 0.51 -0.45 -0.20 0.00 -0.37 0.00 0.00 57.07 56.57 1s6l s TYR 65 Cb -0.21 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1s6l s TYR 65 CO 0.22 0.42 0.50 0.34 -1.57 0.00 0.00 175.55 175.45 1s6l s ASP 66 N -3.76 -0.48 1.00 2.29 2.15 -1.03 -4.86 116.67 111.98 1s6l s ASP 66 Ca 0.36 0.75 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1s6l s ASP 66 Cb 0.00 0.77 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 1s6l s ASP 66 CO 0.20 -0.33 0.00 1.17 -0.17 0.00 0.00 175.17 176.05 1s6l n LYS 67 N 2.07 0.00 0.03 4.34 3.00 -1.26 -1.88 118.16 124.47 1s6l n LYS 67 Ca -0.16 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.26 1s6l n LYS 67 Cb 0.56 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.71 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1s6l n ASP 68 N 8.86 0.63 0.00 3.14 5.75 -1.26 -4.91 116.55 128.75 1s6l n ASP 68 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1s6l n ASP 68 Cb 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s6l n GLY 69 N 1.39 1.51 3.93 6.12 0.00 -0.79 -5.15 105.19 112.21 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 -1.56 5.05 -0.19 1.61 -0.87 -1.03 -4.72 114.94 113.21 1s6l s ASN 70 Ca 0.00 0.46 -0.29 0.00 -1.57 0.00 0.00 52.86 51.46 1s6l s ASN 70 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.02 1s6l s ASN 70 CO 0.00 -1.42 1.04 -0.63 -2.57 0.00 0.00 177.10 173.52 1s6l s ILE 71 N -3.13 4.69 -0.15 0.60 1.09 -1.02 -2.47 121.20 120.81 1s6l s ILE 71 Ca 0.58 2.01 0.14 0.00 -1.10 0.00 0.00 60.65 62.29 1s6l s ILE 71 Cb -0.11 -4.30 -0.20 0.00 -1.06 0.00 0.00 42.46 36.79 1s6l s ILE 71 CO 0.44 -0.13 0.07 0.00 -0.10 0.00 0.00 174.94 175.22 1s6l n ILE 72 N 5.10 1.05 0.00 2.92 0.00 -1.18 -4.18 119.36 123.07 1s6l n ILE 72 Ca 0.11 -0.67 0.00 0.00 0.00 0.00 0.00 62.75 62.20 1s6l n ILE 72 Cb 0.47 -0.54 0.00 0.00 0.00 0.00 0.00 39.64 39.56 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6l n GLY 73 N 1.99 1.89 1.44 4.50 0.00 -1.26 -5.05 105.19 108.70 1s6l n GLY 73 Ca -0.25 -2.12 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 1s6l n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1s6l n TYR 74 N -0.03 -1.05 0.00 1.61 4.19 -1.26 -4.55 117.16 116.07 1s6l n TYR 74 Ca 0.00 -0.92 0.00 0.00 3.31 0.00 0.00 57.90 60.29 1s6l n TYR 74 Cb 0.00 0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.10 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1s6l n GLY 75 N -0.24 2.16 3.30 2.98 0.00 -1.26 -5.00 105.19 107.13 1s6l n GLY 75 Ca -0.01 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1s6l n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6l n LEU 76 N 0.00 -1.39 -4.63 0.99 7.99 -1.26 -4.96 117.00 113.73 1s6l n LEU 76 Ca 0.00 -0.45 -0.23 0.00 -0.01 0.00 0.00 56.01 55.32 1s6l n LEU 76 Cb 0.00 -1.07 -0.07 0.00 -0.11 0.00 0.00 43.42 42.17 1s6l n LEU 76 CO 0.00 -3.76 -0.34 0.42 -1.51 0.00 0.00 177.39 172.20 1s6l s THR 77 N -2.23 3.39 0.00 -5.08 -4.23 -1.24 -5.01 115.64 101.24 1s6l s THR 77 Ca 0.63 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.17 1s6l s THR 77 Cb -0.17 -2.80 -0.23 0.00 1.34 0.00 0.00 72.50 70.63 1s6l s THR 77 CO 0.59 -0.36 3.36 -0.11 -0.54 0.00 0.00 174.62 177.57 1s6l n LEU 78 N -0.81 5.07 -3.04 4.79 -0.00 -1.26 -4.78 117.00 116.98 1s6l n LEU 78 Ca -0.07 -3.01 -0.01 0.00 -0.00 0.00 0.00 56.01 52.93 1s6l n LEU 78 Cb 0.59 -1.34 -0.01 0.00 -0.00 0.00 0.00 43.42 42.66 1s6l n LEU 78 CO 0.40 1.56 -0.26 -2.11 -0.00 0.00 0.00 177.39 176.98 1s6l n ARG 79 N 2.42 -1.51 0.00 1.96 1.85 -1.26 -4.98 116.66 115.14 1s6l n ARG 79 Ca 0.37 1.45 0.00 0.00 -1.00 0.00 0.00 57.85 58.67 1s6l n ARG 79 Cb 0.85 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 1s6l n ARG 79 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1s6l n GLU 80 N 1.97 0.00 -0.99 2.89 4.07 -1.26 -5.14 120.64 122.17 1s6l n GLU 80 Ca -0.05 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.71 1s6l n GLU 80 Cb 0.22 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.63 1s6l n GLU 80 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1s6l n THR 81 N -0.15 0.00 0.72 6.31 -2.24 -1.26 -4.82 114.28 112.84 1s6l n THR 81 Ca 0.00 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1s6l n THR 81 Cb 0.00 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 68.69 1s6l n THR 81 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s6l n SER 82 N 3.02 0.10 -4.56 3.42 2.88 -1.26 -4.67 113.62 112.56 1s6l n SER 82 Ca 0.01 0.52 -0.39 0.00 -1.33 0.00 0.00 58.87 57.67 1s6l n SER 82 Cb 0.50 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.39 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1s6l s TYR 83 N -3.03 1.76 -0.01 0.66 2.02 -1.26 -4.38 117.35 113.12 1s6l s TYR 83 Ca 0.10 0.69 0.02 0.00 -0.37 0.00 0.00 57.07 57.52 1s6l s TYR 83 Cb 0.14 -4.15 -0.03 0.00 -0.40 0.00 0.00 41.96 37.51 1s6l s TYR 83 CO 0.41 -2.32 -0.05 0.08 -1.57 0.00 0.00 175.55 172.10 1s6l s VAL 84 N 8.44 3.76 -0.20 0.71 1.01 -0.26 -1.34 120.40 132.51 1s6l s VAL 84 Ca 0.65 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1s6l s VAL 84 Cb -0.13 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1s6l s VAL 84 CO 0.22 0.42 0.04 0.12 0.00 0.00 0.00 175.10 175.90 1s6l s PHE 85 N -0.98 1.08 -0.21 5.22 5.36 0.84 -1.17 117.98 128.12 1s6l s PHE 85 Ca 0.17 -0.93 -0.15 0.00 -0.96 0.00 0.00 56.93 55.06 1s6l s PHE 85 Cb -0.11 -1.07 -0.04 0.00 -0.34 0.00 0.00 43.02 41.45 1s6l s PHE 85 CO 0.07 -0.63 0.38 -1.21 -1.46 0.00 0.00 175.22 172.36 1s6l s GLU 86 N 1.84 4.16 -0.06 10.12 8.01 0.39 0.15 118.70 143.31 1s6l s GLU 86 Ca -0.00 0.16 -0.01 0.00 0.01 0.00 0.00 54.97 55.13 1s6l s GLU 86 Cb -0.17 -3.54 0.03 0.00 -4.31 0.00 0.00 34.13 26.14 1s6l s GLU 86 CO -0.09 -0.03 0.00 0.96 0.01 0.00 0.00 175.26 176.11 1s6l s ILE 87 N 1.29 0.30 0.00 -1.63 -4.36 -0.85 0.24 121.20 116.20 1s6l s ILE 87 Ca 0.18 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.69 1s6l s ILE 87 Cb -0.15 -0.44 0.00 0.00 1.25 0.00 0.00 42.46 43.12 1s6l s ILE 87 CO 0.08 0.23 0.00 0.47 0.24 0.00 0.00 174.94 175.95 1s6l n ASP 88 N 4.84 0.00 -2.13 4.36 9.92 -1.25 -0.84 116.55 131.45 1s6l n ASP 88 Ca -0.12 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.10 1s6l n ASP 88 Cb 0.50 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.04 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1s6l n ASP 89 N 0.63 -1.20 -3.63 -2.24 5.75 -1.26 -5.09 116.55 109.51 1s6l n ASP 89 Ca 0.00 -2.14 -0.21 0.00 -0.01 0.00 0.00 54.79 52.42 1s6l n ASP 89 Cb 0.00 0.52 -0.17 0.00 -1.03 0.00 0.00 41.12 40.44 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1s6l s ARG 90 N -0.02 0.01 -1.11 0.11 1.81 -0.02 -5.08 118.95 114.65 1s6l s ARG 90 Ca 0.07 0.23 -0.22 0.00 -1.72 0.00 0.00 55.73 54.10 1s6l s ARG 90 Cb 0.30 -1.00 0.03 0.00 -0.45 0.00 0.00 34.95 33.84 1s6l s ARG 90 CO -0.09 -0.47 1.65 1.03 -0.68 0.00 0.00 175.30 176.74 1s6l s ARG 91 N 2.19 3.49 0.86 3.54 3.00 -1.26 -2.01 118.95 128.75 1s6l s ARG 91 Ca 0.04 -1.30 -0.12 0.00 0.00 0.00 0.00 55.73 54.35 1s6l s ARG 91 Cb -0.14 -5.37 0.10 0.00 0.00 0.00 0.00 34.95 29.55 1s6l s ARG 91 CO -0.06 -2.54 1.09 -0.51 0.00 0.00 0.00 175.30 173.28 1s6l s LEU 92 N 5.94 2.40 0.14 2.53 1.43 0.40 -4.84 118.68 126.69 1s6l s LEU 92 Ca 0.54 1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1s6l s LEU 92 Cb 0.00 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1s6l s LEU 92 CO -0.01 -2.36 0.04 -0.31 0.23 0.00 0.00 176.35 173.94 1s6l s TYR 93 N -3.03 0.97 0.10 0.29 2.02 -1.26 -0.11 117.35 116.33 1s6l s TYR 93 Ca 0.62 -1.17 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1s6l s TYR 93 Cb -0.16 -0.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 1s6l s TYR 93 CO 0.56 -0.43 0.13 0.00 -1.57 0.00 0.00 175.55 174.24 1s6l s ALA 94 N -3.93 0.20 -0.06 3.71 0.00 -0.45 -3.72 121.76 117.51 1s6l s ALA 94 Ca 0.24 -0.97 0.13 0.00 0.00 0.00 0.00 51.96 51.36 1s6l s ALA 94 Cb 0.07 0.58 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 1s6l s ALA 94 CO 0.03 -0.50 1.05 -1.49 0.00 0.00 0.00 175.76 174.84 1s6l h TRP 95 N 2.83 0.00 -3.28 0.00 4.06 -1.87 -3.40 115.95 114.29 1s6l h TRP 95 Ca -0.34 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.24 1s6l h TRP 95 Cb 1.19 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.20 1s6l h TRP 95 CO 0.45 0.74 -0.73 0.00 -3.56 0.00 0.00 178.44 175.34 1s6l n ALA 97 N -0.11 1.14 -0.01 0.00 0.00 -0.63 -1.85 120.51 119.05 1s6l n ALA 97 Ca -0.11 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1s6l n ALA 97 Cb 0.60 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1s6l n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s6l n LEU 98 N -1.80 0.00 -0.08 0.00 4.77 -1.26 -4.38 117.00 114.25 1s6l n LEU 98 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1s6l n LEU 98 Cb 0.05 0.03 0.73 0.00 -2.33 0.00 0.00 43.42 41.90 1s6l n LEU 98 CO 0.06 0.03 0.97 -0.67 -1.33 0.00 0.00 177.39 176.45 1s6l n ASP 99 N -2.16 0.29 -0.31 -1.43 -0.08 -0.77 -3.79 116.55 108.30 1s6l n ASP 99 Ca -0.05 -0.61 -0.02 0.00 -1.51 0.00 0.00 54.79 52.60 1s6l n ASP 99 Cb 0.51 -0.11 0.15 0.00 2.34 0.00 0.00 41.12 44.01 1s6l n ASP 99 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1s6l h THR 100 N 0.38 1.24 -1.42 5.18 1.35 -1.76 -3.44 112.91 114.44 1s6l h THR 100 Ca 0.00 -0.49 -0.45 0.00 -0.55 0.00 0.00 66.41 64.92 1s6l h THR 100 Cb 0.26 -0.03 0.03 0.00 -1.73 0.00 0.00 68.15 66.68 1s6l h THR 100 CO 0.00 0.24 -0.14 -1.48 -0.25 0.00 0.00 175.52 173.90 1s6l s LEU 101 N -9.96 3.35 0.00 3.87 -0.00 -1.25 -4.72 118.68 109.97 1s6l s LEU 101 Ca -0.12 -0.51 0.00 0.00 -0.00 0.00 0.00 54.13 53.50 1s6l s LEU 101 Cb 0.18 -2.26 0.00 0.00 -0.00 0.00 0.00 46.19 44.11 1s6l s LEU 101 CO 0.81 -1.12 0.00 2.30 -0.00 0.00 0.00 176.35 178.34 1s6l n ILE 102 N -2.15 0.00 -2.74 1.48 -6.64 -1.26 -5.06 119.36 102.99 1s6l n ILE 102 Ca 0.11 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 61.05 1s6l n ILE 102 Cb 0.60 -0.07 0.02 0.00 -1.44 0.00 0.00 39.64 38.75 1s6l n ILE 102 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1s6l n PHE 103 N -2.03 -3.22 0.08 4.28 3.72 -1.26 -5.02 117.46 114.01 1s6l n PHE 103 Ca 0.00 -1.26 -0.05 0.00 -0.05 0.00 0.00 57.45 56.09 1s6l n PHE 103 Cb 0.00 1.42 0.12 0.00 -0.94 0.00 0.00 39.48 40.08 1s6l n PHE 103 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s6l h PRO 104 N 4.76 0.25 0.00 -1.08 0.13 -1.90 -1.63 132.00 132.53 1s6l h PRO 104 Ca 0.03 -0.17 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1s6l h PRO 104 Cb 1.12 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1s6l h PRO 104 CO 0.01 0.77 -0.36 0.00 -0.23 0.00 0.00 178.00 178.19 1s6l h ALA 105 N 1.19 0.78 0.19 -0.56 0.00 -1.79 -3.23 119.26 115.85 1s6l h ALA 105 Ca -0.01 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 1s6l h ALA 105 Cb 1.11 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1s6l h ALA 105 CO 0.09 0.45 -1.72 1.25 0.00 0.00 0.00 179.25 179.32 1s6l h LEU 106 N 0.00 0.64 -0.53 0.00 6.46 -1.90 -3.36 115.31 116.63 1s6l h LEU 106 Ca -0.00 -0.94 0.04 0.00 -0.12 0.00 0.00 57.88 56.85 1s6l h LEU 106 Cb 1.24 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 1s6l h LEU 106 CO 0.05 1.78 0.29 -0.29 -0.62 0.00 0.00 178.44 179.65 1s6l h ILE 107 N 0.10 1.01 0.00 4.05 6.09 -1.38 -3.47 117.51 123.91 1s6l h ILE 107 Ca -0.34 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1s6l h ILE 107 Cb 2.10 0.38 0.00 0.00 0.47 0.00 0.00 36.82 39.78 1s6l h ILE 107 CO 0.19 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 175.98 1s6l n GLY 108 N -1.25 1.23 3.58 8.18 0.00 -1.22 -5.09 105.19 110.62 1s6l n GLY 108 Ca 0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 0.49 1.61 6.06 -1.25 -5.06 118.95 121.65 1s6l s ARG 109 Ca 0.00 -1.44 -0.10 0.00 -2.50 0.00 0.00 55.73 51.69 1s6l s ARG 109 Cb 0.00 0.48 -0.05 0.00 0.06 0.00 0.00 34.95 35.43 1s6l s ARG 109 CO 0.00 -0.73 0.87 0.99 -2.50 0.00 0.00 175.30 173.93 1s6l s THR 110 N -3.52 4.75 -0.18 4.11 2.01 -1.26 -4.26 115.64 117.28 1s6l s THR 110 Ca 0.24 0.69 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 1s6l s THR 110 Cb -0.01 -3.79 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1s6l s THR 110 CO 0.13 -0.78 0.06 0.00 -0.69 0.00 0.00 174.62 173.34 1s6l s ALA 111 N -2.70 0.73 -0.26 7.40 0.00 0.31 -3.88 121.76 123.37 1s6l s ALA 111 Ca 0.53 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 1s6l s ALA 111 Cb -0.10 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1s6l s ALA 111 CO 0.40 -1.17 1.01 1.03 0.00 0.00 0.00 175.76 177.03 1s6l s ARG 112 N 1.99 4.19 -0.16 0.00 0.52 0.14 0.13 118.95 125.76 1s6l s ARG 112 Ca 0.00 1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 56.38 1s6l s ARG 112 Cb -0.17 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1s6l s ARG 112 CO -0.08 -0.68 -0.02 0.08 0.02 0.00 0.00 175.30 174.61 1s6l s VAL 113 N 3.25 4.02 -0.03 3.52 1.01 0.39 0.15 120.40 132.71 1s6l s VAL 113 Ca 0.43 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1s6l s VAL 113 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1s6l s VAL 113 CO 0.09 0.48 -0.20 -0.94 0.00 0.00 0.00 175.10 174.53 1s6l s SER 114 N 0.41 2.38 0.25 3.32 1.04 -0.32 0.14 113.70 120.91 1s6l s SER 114 Ca -0.03 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1s6l s SER 114 Cb -0.14 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 1s6l s SER 114 CO 0.02 0.21 0.21 -0.44 0.98 0.00 0.00 173.24 174.22 1s6l s SER 115 N -0.24 0.59 -0.05 7.02 0.01 0.45 -1.10 113.70 120.38 1s6l s SER 115 Ca 0.02 -1.47 0.02 0.00 1.31 0.00 0.00 55.95 55.83 1s6l s SER 115 Cb -0.10 0.45 0.01 0.00 0.21 0.00 0.00 66.02 66.60 1s6l s SER 115 CO 0.01 -0.94 -0.11 -2.28 0.41 0.00 0.00 173.24 170.33 1s6l s HIS 116 N -3.90 1.27 0.04 2.43 2.46 -1.26 0.10 115.29 116.43 1s6l s HIS 116 Ca 0.38 -0.43 -0.32 0.00 0.47 0.00 0.00 55.06 55.16 1s6l s HIS 116 Cb 0.05 -0.94 -0.11 0.00 -0.13 0.00 0.00 32.58 31.44 1s6l s HIS 116 CO 0.17 -0.23 1.85 0.00 -2.47 0.00 0.00 174.74 174.06 1s6l n ALA 118 N 6.10 1.59 0.00 0.00 0.00 -0.37 -1.13 120.51 126.71 1s6l n ALA 118 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 118 Cb 0.35 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.41 3.00 0.22 0.00 0.00 -1.26 -4.78 120.51 116.27 1s6l n ALA 119 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 119 Cb 0.12 0.43 0.24 0.00 0.00 0.00 0.00 19.45 20.24 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 0.19 -3.34 0.00 2.02 -1.93 -3.47 112.91 106.38 1s6l h THR 120 Ca 0.00 -1.15 -0.35 0.00 0.77 0.00 0.00 66.41 65.69 1s6l h THR 120 Cb 0.83 1.98 0.03 0.00 -1.74 0.00 0.00 68.15 69.25 1s6l h THR 120 CO 0.00 0.10 -0.49 0.61 0.37 0.00 0.00 175.52 176.11 1s6l n GLY 121 N 0.89 -0.34 3.95 2.16 0.00 -0.29 -4.95 105.19 106.61 1s6l n GLY 121 Ca 0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l s ALA 122 N -3.00 4.31 -0.47 4.61 0.00 -1.26 -4.80 121.76 121.14 1s6l s ALA 122 Ca 0.16 -1.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.18 1s6l s ALA 122 Cb -0.07 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.72 1s6l s ALA 122 CO 0.20 -0.24 0.60 -1.25 0.00 0.00 0.00 175.76 175.07 1s6l s PRO 123 N -4.25 3.16 0.00 0.00 0.04 -1.26 -1.20 135.00 131.50 1s6l s PRO 123 Ca 0.51 -0.72 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 1s6l s PRO 123 Cb -0.07 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1s6l s PRO 123 CO 0.31 -1.11 0.13 0.14 0.04 0.00 0.00 177.00 176.51 1s6l s VAL 124 N 2.62 5.02 -0.14 -0.36 -7.23 0.28 -4.56 120.40 116.03 1s6l s VAL 124 Ca 0.17 -0.34 -0.15 0.00 -1.81 0.00 0.00 61.98 59.85 1s6l s VAL 124 Cb -0.17 -3.33 0.04 0.00 0.56 0.00 0.00 36.38 33.47 1s6l s VAL 124 CO 0.14 0.31 0.42 -0.94 -0.31 0.00 0.00 175.10 174.73 1s6l s SER 125 N -1.90 -0.42 0.07 4.85 1.04 0.27 0.17 113.70 117.78 1s6l s SER 125 Ca 0.26 0.77 0.03 0.00 0.48 0.00 0.00 55.95 57.48 1s6l s SER 125 Cb -0.12 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1s6l s SER 125 CO 0.17 -0.20 -0.09 -0.76 0.98 0.00 0.00 173.24 173.34 1s6l s LEU 126 N -0.00 2.34 -0.28 2.42 2.01 0.38 0.07 118.68 125.62 1s6l s LEU 126 Ca -0.02 -0.71 -0.05 0.00 0.01 0.00 0.00 54.13 53.36 1s6l s LEU 126 Cb -0.03 -0.25 0.01 0.00 0.01 0.00 0.00 46.19 45.93 1s6l s LEU 126 CO 0.01 -0.24 0.04 -0.89 1.01 0.00 0.00 176.35 176.29 1s6l s THR 127 N -2.02 3.69 -0.40 5.49 2.01 -0.79 0.15 115.64 123.77 1s6l s THR 127 Ca -0.01 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.05 1s6l s THR 127 Cb -0.06 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1s6l s THR 127 CO -0.00 0.11 0.44 -0.69 -0.69 0.00 0.00 174.62 173.79 1s6l s VAL 128 N 1.46 5.08 0.52 3.82 1.01 0.35 -2.44 120.40 130.20 1s6l s VAL 128 Ca 0.02 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1s6l s VAL 128 Cb -0.17 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1s6l s VAL 128 CO 0.01 -0.35 0.43 -0.44 0.00 0.00 0.00 175.10 174.75 1s6l s SER 129 N 1.80 4.76 0.15 3.32 0.01 0.44 0.11 113.70 124.29 1s6l s SER 129 Ca 0.13 -1.10 0.20 0.00 1.31 0.00 0.00 55.95 56.50 1s6l s SER 129 Cb -0.17 0.17 0.83 0.00 0.21 0.00 0.00 66.02 67.07 1s6l s SER 129 CO 0.14 -1.02 1.62 -2.65 0.41 0.00 0.00 173.24 171.73 1s6l n PRO 130 N -1.76 0.11 0.00 12.44 -0.02 -1.25 -3.66 135.00 140.87 1s6l n PRO 130 Ca 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1s6l n PRO 130 Cb 0.63 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1s6l n PRO 130 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1s6l n SER 131 N -1.93 4.52 0.00 2.55 7.64 -1.26 -4.49 113.62 120.65 1s6l n SER 131 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1s6l n SER 131 Cb 0.21 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 -1.75 -0.15 -3.20 1.43 0.28 -1.24 -5.16 120.64 110.85 1s6l n GLU 132 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1s6l n GLU 132 Cb 0.36 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.20 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 5.00 0.00 3.84 -4.36 -1.25 -0.42 121.20 121.00 1s6l s ILE 133 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.42 1s6l s ILE 133 Cb 0.00 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.93 1s6l s ILE 133 CO 0.00 -0.46 0.70 1.67 0.24 0.00 0.00 174.94 177.09 1s6l n GLN 134 N -1.31 0.00 -2.79 0.37 7.27 -1.02 -4.92 117.38 114.98 1s6l n GLN 134 Ca -0.02 -0.59 -0.01 0.00 0.07 0.00 0.00 57.00 56.46 1s6l n GLN 134 Cb 0.54 -0.34 0.01 0.00 2.41 0.00 0.00 30.24 32.87 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l s ALA 135 N 0.00 -3.92 -0.25 1.69 0.00 -1.26 -4.89 121.76 113.13 1s6l s ALA 135 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1s6l s ALA 135 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1s6l s ALA 135 CO 0.00 -2.44 0.22 0.08 0.00 0.00 0.00 175.76 173.62 1s6l s VAL 136 N 1.45 5.31 -0.15 0.00 1.01 -1.26 -1.88 120.40 124.88 1s6l s VAL 136 Ca 0.20 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1s6l s VAL 136 Cb 0.05 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.95 1s6l s VAL 136 CO -0.11 0.29 0.24 -0.70 0.00 0.00 0.00 175.10 174.82 1s6l s GLU 137 N 1.38 0.15 0.75 2.72 2.56 0.11 -3.56 118.70 122.81 1s6l s GLU 137 Ca 0.10 0.58 -0.11 0.00 0.00 0.00 0.00 54.97 55.54 1s6l s GLU 137 Cb -0.15 -0.38 0.04 0.00 2.00 0.00 0.00 34.13 35.65 1s6l s GLU 137 CO 0.07 -0.40 1.08 -1.25 -0.56 0.00 0.00 175.26 174.20 1s6l s PRO 138 N 2.39 2.49 -1.19 4.30 0.04 -1.26 0.97 135.00 142.72 1s6l s PRO 138 Ca 0.03 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 61.74 1s6l s PRO 138 Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1s6l s PRO 138 CO -0.09 -1.39 1.89 0.00 0.04 0.00 0.00 177.00 177.44 1s6l n ALA 139 N -3.32 2.86 0.00 8.56 0.00 -1.23 -2.63 120.51 124.75 1s6l n ALA 139 Ca 0.07 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.12 1s6l n ALA 139 Cb 0.54 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.45 1s6l n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6l n GLY 140 N 5.37 -0.09 3.69 0.00 0.00 -1.26 -5.15 105.19 107.74 1s6l n GLY 140 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N 0.00 1.23 0.13 1.61 0.00 -1.08 -4.07 119.30 117.12 1s6l s MET 141 Ca 0.00 1.29 0.08 0.00 0.00 0.00 0.00 55.69 57.06 1s6l s MET 141 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 34.83 33.02 1s6l s MET 141 CO 0.00 -2.40 -0.19 0.00 0.00 0.00 0.00 175.02 172.43 1s6l s ALA 142 N -2.74 1.84 0.09 3.16 0.00 0.40 -3.89 121.76 120.62 1s6l s ALA 142 Ca 0.65 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.34 1s6l s ALA 142 Cb -0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1s6l s ALA 142 CO 0.58 0.29 -0.13 0.08 0.00 0.00 0.00 175.76 176.58 1s6l s VAL 143 N -1.58 3.17 -0.01 0.00 1.01 0.44 0.21 120.40 123.64 1s6l s VAL 143 Ca 0.10 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1s6l s VAL 143 Cb -0.08 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1s6l s VAL 143 CO 0.05 0.16 -0.26 -0.44 0.00 0.00 0.00 175.10 174.61 1s6l s SER 144 N -2.03 3.04 0.30 3.32 0.01 0.25 0.64 113.70 119.23 1s6l s SER 144 Ca 0.19 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1s6l s SER 144 Cb -0.11 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 1s6l s SER 144 CO 0.11 0.30 0.34 -1.48 0.41 0.00 0.00 173.24 172.92 1s6l s LEU 145 N -0.73 1.22 -0.42 2.44 2.34 -0.65 -2.54 118.68 120.34 1s6l s LEU 145 Ca 0.10 -1.50 0.02 0.00 0.06 0.00 0.00 54.13 52.81 1s6l s LEU 145 Cb -0.10 0.96 0.12 0.00 -0.56 0.00 0.00 46.19 46.61 1s6l s LEU 145 CO -0.00 -1.11 0.18 -0.69 -1.06 0.00 0.00 176.35 173.67 1s6l s VAL 146 N -3.51 1.81 -0.03 1.48 1.01 -1.26 -2.29 120.40 117.60 1s6l s VAL 146 Ca 0.35 -2.52 -0.14 0.00 0.00 0.00 0.00 61.98 59.67 1s6l s VAL 146 Cb 0.02 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.03 1s6l s VAL 146 CO 0.20 -0.77 0.60 -0.07 0.00 0.00 0.00 175.10 175.06 1s6l h LEU 147 N 7.09 -0.42-10.03 3.92 4.07 -1.92 -3.46 115.31 114.56 1s6l h LEU 147 Ca -0.06 0.01 -0.47 0.00 0.08 0.00 0.00 57.88 57.44 1s6l h LEU 147 Cb 0.95 0.11 0.02 0.00 1.08 0.00 0.00 40.66 42.82 1s6l h LEU 147 CO 0.54 -0.02 0.39 -2.16 -1.08 0.00 0.00 178.44 176.12 1s6l s PRO 148 N -3.17 3.94 -0.21 1.13 0.04 -1.26 -5.07 135.00 130.41 1s6l s PRO 148 Ca -0.07 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 1s6l s PRO 148 Cb 0.01 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.38 1s6l s PRO 148 CO 0.22 -0.32 0.44 -0.65 0.04 0.00 0.00 177.00 176.73 1s6l s GLN 149 N -2.97 0.36 -0.03 4.56 -1.52 -1.26 -4.80 119.66 114.00 1s6l s GLN 149 Ca 0.64 1.06 0.07 0.00 -1.95 0.00 0.00 55.36 55.18 1s6l s GLN 149 Cb -0.18 0.35 -0.11 0.00 -0.22 0.00 0.00 33.01 32.85 1s6l s GLN 149 CO 0.22 -0.24 0.12 0.39 -0.25 0.00 0.00 175.29 175.54 1s6l n GLU 150 N 5.28 1.10 -3.61 2.91 1.02 -1.26 -4.94 120.64 121.14 1s6l n GLU 150 Ca -0.10 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.71 1s6l n GLU 150 Cb 0.50 -1.18 -0.16 0.00 -0.02 0.00 0.00 31.44 30.57 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s6l s ALA 151 N -2.42 0.64 0.00 0.62 0.00 -1.26 -4.89 121.76 114.46 1s6l s ALA 151 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1s6l s ALA 151 Cb 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1s6l s ALA 151 CO 0.31 -1.36 0.00 0.00 0.00 0.00 0.00 175.76 174.72 1s6l n ALA 152 N 5.21 0.00 -1.54 0.00 0.00 -1.26 -5.09 120.51 117.83 1s6l n ALA 152 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 1s6l n ALA 152 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 1.97 0.00 0.00 2.03 -1.26 -3.81 116.55 115.08 1s6l n ASP 153 Ca 0.00 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1s6l n ASP 153 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s6l n VAL 154 N 7.89 0.00 0.00 5.18 0.24 -1.26 -5.03 118.33 125.34 1s6l n VAL 154 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 1s6l n VAL 154 Cb 0.44 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 1s6l n VAL 154 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1s6l n ARG 155 N -2.00 0.00 0.05 7.34 3.00 -1.26 -5.04 116.66 118.76 1s6l n ARG 155 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1s6l n ARG 155 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1s6l n ARG 155 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1s6l n GLN 156 N -2.24 0.00 -2.86 -0.14 7.27 -1.26 -5.03 117.38 113.13 1s6l n GLN 156 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 1s6l n GLN 156 Cb 0.00 -0.28 0.01 0.00 2.41 0.00 0.00 30.24 32.38 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1s6l n SER 157 N -3.23 -5.36 -1.41 1.69 3.41 -1.25 -4.74 113.62 102.73 1s6l n SER 157 Ca 0.00 -0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.43 1s6l n SER 157 Cb 0.00 -4.40 0.01 0.00 -0.26 0.00 0.00 64.21 59.56 1s6l n SER 157 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1s6l n PHE 158 N -4.14 -0.27 -0.10 7.33 7.35 -1.26 -4.86 117.46 121.51 1s6l n PHE 158 Ca -0.13 -0.24 -0.10 0.00 -0.76 0.00 0.00 57.45 56.21 1s6l n PHE 158 Cb 0.62 0.61 -0.03 0.00 0.35 0.00 0.00 39.48 41.04 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 -0.09 0.00 -4.08 0.00 8.25 -1.26 -4.86 115.22 113.18 1s6l n HIS 161 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1s6l n HIS 161 Cb 0.00 -3.06 -0.14 0.00 1.12 0.00 0.00 29.99 27.91 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1s6l s VAL 162 N -2.33 3.17 0.31 1.59 1.01 -1.26 -4.53 120.40 118.36 1s6l s VAL 162 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1s6l s VAL 162 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1s6l s VAL 162 CO 0.00 0.46 0.04 -1.00 0.00 0.00 0.00 175.10 174.60 1s6l s HIS 163 N 1.25 1.94 0.15 5.22 3.76 -1.05 -1.61 115.29 124.94 1s6l s HIS 163 Ca 0.03 -0.93 0.07 0.00 -0.15 0.00 0.00 55.06 54.07 1s6l s HIS 163 Cb -0.14 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 1s6l s HIS 163 CO -0.03 0.03 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.81 1s6l s PHE 164 N -3.28 2.86 -0.02 1.40 0.40 -1.26 0.84 117.98 118.92 1s6l s PHE 164 Ca 0.35 -0.12 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1s6l s PHE 164 Cb 0.08 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 42.19 1s6l s PHE 164 CO 0.15 0.50 -0.09 -0.06 0.70 0.00 0.00 175.22 176.41 1s6l s PHE 165 N -1.56 0.89 0.57 0.36 0.40 0.57 -1.23 117.98 117.98 1s6l s PHE 165 Ca 0.26 -0.19 0.42 0.00 -0.60 0.00 0.00 56.93 56.82 1s6l s PHE 165 Cb -0.10 -0.60 1.53 0.00 0.51 0.00 0.00 43.02 44.36 1s6l s PHE 165 CO 0.18 -0.05 1.59 0.00 0.70 0.00 0.00 175.22 177.64 1s6l h ALA 166 N 6.12 3.44 -2.47 5.36 0.00 -1.93 1.16 119.26 130.95 1s6l h ALA 166 Ca -0.32 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.69 1s6l h ALA 166 Cb 1.17 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1s6l h ALA 166 CO 0.49 -1.99 0.52 -1.12 0.00 0.00 0.00 179.25 177.15 1s6l s SER 167 N -4.17 -0.08 0.26 0.00 0.01 -1.26 -3.48 113.70 104.98 1s6l s SER 167 Ca -0.04 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.66 1s6l s SER 167 Cb 0.23 0.52 0.33 0.00 0.21 0.00 0.00 66.02 67.31 1s6l s SER 167 CO 0.77 -1.00 1.64 0.58 0.41 0.00 0.00 173.24 175.64 1s6l h VAL 168 N 2.00 1.31 -0.13 3.43 2.07 -1.84 0.86 116.25 123.96 1s6l h VAL 168 Ca -0.26 -1.60 -0.21 0.00 0.82 0.00 0.00 66.70 65.45 1s6l h VAL 168 Cb 1.23 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1s6l h VAL 168 CO 0.31 0.49 -0.75 -0.65 0.02 0.00 0.00 177.57 176.99 1s6l h PRO 169 N 0.30 0.64 0.04 1.57 0.11 -1.95 0.81 132.00 133.53 1s6l h PRO 169 Ca 0.02 -0.52 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 1s6l h PRO 169 Cb 0.89 0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.12 1s6l h PRO 169 CO 0.07 1.14 -1.11 1.15 -0.21 0.00 0.00 178.00 179.04 1s6l h THR 170 N 0.44 1.29 -0.38 -1.15 2.02 -1.94 5.13 112.91 118.32 1s6l h THR 170 Ca -0.04 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 64.79 1s6l h THR 170 Cb 1.35 2.49 -0.02 0.00 -1.74 0.00 0.00 68.15 70.24 1s6l h THR 170 CO 0.14 0.72 0.20 0.00 0.37 0.00 0.00 175.52 176.95 1s6l h ALA 171 N 0.39 0.49 0.00 6.16 0.00 0.81 1.13 119.26 128.24 1s6l h ALA 171 Ca -0.15 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1s6l h ALA 171 Cb 1.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1s6l h ALA 171 CO 0.21 0.04 -0.73 0.93 0.00 0.00 0.00 179.25 179.71 1s6l h GLU 172 N 0.49 0.00 0.27 0.00 5.08 0.74 0.43 114.58 121.58 1s6l h GLU 172 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1s6l h GLU 172 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1s6l h GLU 172 CO -0.02 0.73 -0.13 0.22 -1.00 0.00 0.00 179.01 178.81 1s6l h ASP 173 N 0.00 -0.31 0.25 1.42 1.82 1.10 -0.44 116.42 120.26 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1s6l h ASP 173 Cb 1.50 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 1s6l h ASP 173 CO 0.09 0.17 -0.20 -0.25 -1.61 0.00 0.00 179.24 177.44 1s6l h TRP 174 N -0.92 0.00 -0.74 0.28 2.91 0.12 -1.63 115.95 115.97 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 0.50 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1s6l h TRP 174 CO 0.05 0.20 0.23 0.00 -1.03 0.00 0.00 178.44 177.88 1s6l h ALA 175 N 1.80 1.01 -0.77 2.65 0.00 -0.80 -2.22 119.26 120.93 1s6l h ALA 175 Ca -0.00 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1s6l h ALA 175 Cb 0.38 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1s6l h ALA 175 CO 0.03 0.66 0.34 1.03 0.00 0.00 0.00 179.25 181.31 1s6l h SER 176 N 1.10 0.35 -0.52 0.00 0.87 -0.05 0.37 113.55 115.67 1s6l h SER 176 Ca 0.24 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1s6l h SER 176 Cb 0.31 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1s6l h SER 176 CO -0.01 0.14 0.10 0.29 -0.53 0.00 0.00 176.83 176.83 1s6l n LYS 177 N -4.96 3.70 -0.58 2.24 4.01 -1.00 -3.89 118.16 117.69 1s6l n LYS 177 Ca 0.15 -2.48 0.05 0.00 -0.51 0.00 0.00 58.31 55.52 1s6l n LYS 177 Cb 0.41 -2.08 0.09 0.00 -0.51 0.00 0.00 35.03 32.94 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1s6l n HIS 178 N 0.25 0.00 -1.71 2.13 8.25 0.13 -5.07 115.22 119.19 1s6l n HIS 178 Ca 0.27 -0.71 -0.18 0.00 -0.26 0.00 0.00 57.72 56.85 1s6l n HIS 178 Cb 1.09 -0.14 0.12 0.00 1.12 0.00 0.00 29.99 32.18 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 -0.58 -0.67 0.00 -0.41 6.02 -1.05 -4.45 117.38 116.24 1s6l n GLN 179 Ca 0.10 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 1s6l n GLN 179 Cb 0.77 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 31.23 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 -0.36 2.89 2.67 1.08 0.00 -1.26 -4.93 105.19 105.28 1s6l n GLY 180 Ca 0.10 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 5.04 -1.06 0.99 4.77 -1.26 -4.28 117.00 121.20 1s6l n LEU 181 Ca 0.00 -2.99 -0.14 0.00 -0.03 0.00 0.00 56.01 52.85 1s6l n LEU 181 Cb 0.00 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 39.90 1s6l n LEU 181 CO 0.00 0.56 -0.13 1.21 -1.33 0.00 0.00 177.39 177.70 1s6l n GLU 182 N 4.62 -1.60 0.00 3.23 0.00 -1.26 -3.11 120.64 122.51 1s6l n GLU 182 Ca 0.47 0.98 0.00 0.00 0.00 0.00 0.00 57.16 58.61 1s6l n GLU 182 Cb 0.18 -5.39 0.00 0.00 0.00 0.00 0.00 31.44 26.23 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s6l n GLY 183 N 0.00 2.59 1.18 8.31 0.00 -1.26 -4.59 105.19 111.42 1s6l n GLY 183 Ca -0.14 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.20 -3.87 0.99 0.00 -1.18 -4.63 117.00 107.11 1s6l n LEU 184 Ca 0.00 2.12 -0.11 0.00 0.00 0.00 0.00 56.01 58.01 1s6l n LEU 184 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 43.42 41.15 1s6l n LEU 184 CO 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 177.39 176.44 1s6l s ALA 185 N -4.91 -0.35 0.28 1.96 0.00 -0.97 -4.96 121.76 112.82 1s6l s ALA 185 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1s6l s ALA 185 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1s6l s ALA 185 CO 0.00 -0.22 0.29 0.42 0.00 0.00 0.00 175.76 176.26 1s6l s ILE 186 N -1.43 4.32 0.17 0.00 -1.09 -1.26 -1.63 121.20 120.29 1s6l s ILE 186 Ca -0.14 -1.26 -0.20 0.00 -2.23 0.00 0.00 60.65 56.82 1s6l s ILE 186 Cb -0.07 -3.44 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1s6l s ILE 186 CO 0.02 -0.27 0.55 0.68 -1.23 0.00 0.00 174.94 174.68 1s6l s VAL 187 N -2.15 0.02 -0.11 2.92 -7.23 0.21 -4.95 120.40 109.10 1s6l s VAL 187 Ca 0.37 -0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 1s6l s VAL 187 Cb -0.08 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.52 1s6l s VAL 187 CO 0.27 -0.10 0.34 -0.44 -0.31 0.00 0.00 175.10 174.86 1s6l s SER 188 N -2.81 6.57 0.55 4.85 0.01 -1.26 0.16 113.70 121.77 1s6l s SER 188 Ca 0.05 0.67 0.14 0.00 1.31 0.00 0.00 55.95 58.12 1s6l s SER 188 Cb -0.01 -2.21 0.75 0.00 0.21 0.00 0.00 66.02 64.76 1s6l s SER 188 CO -0.08 0.16 1.37 -0.37 0.41 0.00 0.00 173.24 174.73 1s6l h VAL 189 N 4.39 0.00 -0.07 3.43 -1.51 -1.91 0.99 116.25 121.57 1s6l h VAL 189 Ca -0.45 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.90 1s6l h VAL 189 Cb 1.19 0.30 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1s6l h VAL 189 CO 0.71 0.00 -0.41 0.45 -1.23 0.00 0.00 177.57 177.08 1s6l h HIS 190 N 0.00 0.56 0.00 5.19 3.86 -1.91 -2.94 115.15 119.90 1s6l h HIS 190 Ca 0.00 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 58.94 1s6l h HIS 190 Cb 1.16 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1s6l h HIS 190 CO 0.00 1.01 -0.33 0.93 0.86 0.00 0.00 177.93 180.41 1s6l h GLU 191 N -0.06 0.00 0.00 2.45 5.08 0.42 -3.23 114.58 119.24 1s6l h GLU 191 Ca -0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1s6l h GLU 191 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1s6l h GLU 191 CO 0.09 0.08 -0.25 0.00 -1.00 0.00 0.00 179.01 177.92 1s6l h ALA 192 N 1.91 1.06 0.00 3.43 0.00 -0.48 -1.95 119.26 123.23 1s6l h ALA 192 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1s6l h ALA 192 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1s6l h ALA 192 CO 0.01 0.31 -0.56 0.74 0.00 0.00 0.00 179.25 179.76 1s6l h PHE 193 N 0.00 0.00 0.03 0.00 -1.00 -1.53 -1.49 116.94 112.95 1s6l h PHE 193 Ca -0.00 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.53 1s6l h PHE 193 Cb 0.72 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 1s6l h PHE 193 CO 0.00 0.47 -1.24 0.78 -1.61 0.00 0.00 178.31 176.71 1s6l h GLY 194 N 3.55 0.07 1.92 -1.45 0.00 -1.56 0.18 103.07 105.78 1s6l h GLY 194 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1s6l h GLY 194 CO 0.06 0.16 -0.90 1.41 0.00 0.00 0.00 176.54 177.26 1s6l h LEU 195 N 0.02 0.00 0.00 3.11 4.07 -1.41 -2.08 115.31 119.01 1s6l h LEU 195 Ca -0.11 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 1s6l h LEU 195 Cb 1.87 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.60 1s6l h LEU 195 CO 0.13 0.84 -0.86 1.23 -1.08 0.00 0.00 178.44 178.70 1s6l h GLY 196 N 3.19 0.00 1.79 0.83 0.00 -1.29 -3.27 103.07 104.31 1s6l h GLY 196 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1s6l h GLY 196 CO 0.11 0.00 -0.40 1.46 0.00 0.00 0.00 176.54 177.70 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.20 -0.58 -3.25 115.11 120.28 1s6l h GLN 197 Ca -0.06 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1s6l h GLN 197 Cb 1.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 1s6l h GLN 197 CO 0.05 0.18 -0.30 1.49 -0.67 0.00 0.00 178.83 179.57 1s6l h GLU 198 N 0.00 0.00 -0.95 1.46 4.22 -1.43 -3.25 114.58 114.63 1s6l h GLU 198 Ca -0.01 0.00 0.13 0.00 0.08 0.00 0.00 59.36 59.56 1s6l h GLU 198 Cb 1.17 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1s6l h GLU 198 CO 0.02 0.30 0.60 0.74 -2.18 0.00 0.00 179.01 178.50 1s6l h PHE 199 N 0.00 1.00 0.00 0.92 0.04 -1.61 0.85 116.94 118.14 1s6l h PHE 199 Ca -0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1s6l h PHE 199 Cb 1.19 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1s6l h PHE 199 CO 0.00 0.38 -0.07 -0.97 -0.60 0.00 0.00 178.31 177.05 1s6l h ASN 200 N 0.85 0.00 -0.31 2.17 -1.24 -1.77 -2.84 115.58 112.44 1s6l h ASN 200 Ca 0.48 -0.51 0.06 0.00 0.71 0.00 0.00 56.30 57.04 1s6l h ASN 200 Cb 0.61 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1s6l h ASN 200 CO -0.24 0.79 0.22 0.03 -1.29 0.00 0.00 177.43 176.94 1s6l h ARG 201 N -1.00 0.15 0.00 6.67 3.08 -1.55 -0.65 114.38 121.08 1s6l h ARG 201 Ca -0.01 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.84 1s6l h ARG 201 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1s6l h ARG 201 CO -0.01 0.10 -0.84 1.25 -1.07 0.00 0.00 179.97 179.40 1s6l h HIS 202 N 0.16 0.16 -0.15 3.04 2.76 0.62 -3.17 115.15 118.57 1s6l h HIS 202 Ca 0.14 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1s6l h HIS 202 Cb 0.37 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 1s6l h HIS 202 CO -0.00 0.90 0.10 -0.07 -1.30 0.00 0.00 177.93 177.55 1s6l h LEU 203 N 0.06 0.17 -1.21 0.26 3.38 -0.86 -2.57 115.31 114.54 1s6l h LEU 203 Ca -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1s6l h LEU 203 Cb 1.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1s6l h LEU 203 CO 0.12 0.14 0.43 -0.07 0.09 0.00 0.00 178.44 179.15 1s6l h LEU 204 N 0.19 0.85-10.47 1.67 3.38 -1.57 -3.43 115.31 105.93 1s6l h LEU 204 Ca 0.05 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1s6l h LEU 204 Cb -0.01 -0.22 0.13 0.00 0.09 0.00 0.00 40.66 40.66 1s6l h LEU 204 CO -0.01 0.66 0.29 -1.10 0.09 0.00 0.00 178.44 178.37 1s6l s GLN 205 N -5.73 1.19 -0.18 1.13 -0.21 -0.97 -5.02 119.66 109.88 1s6l s GLN 205 Ca -0.11 0.35 0.11 0.00 0.02 0.00 0.00 55.36 55.74 1s6l s GLN 205 Cb 0.17 -1.84 0.29 0.00 1.00 0.00 0.00 33.01 32.63 1s6l s GLN 205 CO 0.79 -2.18 1.27 -2.37 -2.12 0.00 0.00 175.29 170.68 1s6l n THR 206 N -3.76 0.17 -3.76 -0.19 5.66 -1.26 -4.95 114.28 106.18 1s6l n THR 206 Ca 0.06 -0.93 -0.29 0.00 -3.05 0.00 0.00 64.05 59.84 1s6l n THR 206 Cb 0.59 0.88 -0.15 0.00 -1.55 0.00 0.00 70.33 70.09 1s6l n THR 206 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1s6l s MET 207 N -0.46 0.81 -0.00 1.09 -1.94 -1.26 -5.00 119.30 112.53 1s6l s MET 207 Ca 0.11 -0.93 -0.22 0.00 -1.71 0.00 0.00 55.69 52.94 1s6l s MET 207 Cb 0.28 -2.10 -0.19 0.00 2.01 0.00 0.00 34.83 34.82 1s6l s MET 207 CO -0.08 -0.86 1.19 0.66 -0.01 0.00 0.00 175.02 175.92 1s6l h SER 208 N 8.10 0.31 -3.94 3.03 4.64 -2.01 -3.45 113.55 120.23 1s6l h SER 208 Ca -0.14 -0.62 -0.44 0.00 -0.47 0.00 0.00 61.79 60.11 1s6l h SER 208 Cb 1.04 -0.09 -0.30 0.00 -0.31 0.00 0.00 62.40 62.74 1s6l h SER 208 CO 0.44 0.88 -0.79 -0.55 -0.87 0.00 0.00 176.83 175.93 1s6l s SER 209 N -6.23 1.35 1.00 4.97 0.15 -1.26 -5.15 113.70 108.53 1s6l s SER 209 Ca -0.15 -0.21 -0.01 0.00 0.70 0.00 0.00 55.95 56.28 1s6l s SER 209 Cb 0.03 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1s6l s SER 209 CO 0.75 0.10 0.08 -1.14 1.20 0.00 0.00 173.24 174.23 1s6l n ARG 210 N 3.09 -0.31 0.03 5.44 3.00 -1.26 -5.02 116.66 121.63 1s6l n ARG 210 Ca -0.16 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.56 1s6l n ARG 210 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.92 1s6l n ARG 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1s6l n THR 211 N -2.23 0.00 0.00 5.15 -1.04 -1.26 -5.25 114.28 109.65 1s6l n THR 211 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1s6l n THR 211 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62