#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 0.00 0.00 0.00 9.92 -1.26 -2.85 116.55 122.36 1s6l n ASP 22 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1s6l n ASP 22 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1s6l n ASP 22 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1s6l n LEU 23 N 0.00 0.00 -4.56 0.64 7.94 -1.26 -5.06 117.00 114.70 1s6l n LEU 23 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 1s6l n LEU 23 Cb 0.00 0.07 -0.09 0.00 0.53 0.00 0.00 43.42 43.93 1s6l n LEU 23 CO 0.00 -0.38 -0.41 -0.22 -1.11 0.00 0.00 177.39 175.27 1s6l s LEU 24 N -4.53 2.91 -0.50 -1.96 2.96 -1.13 -5.05 118.68 111.39 1s6l s LEU 24 Ca 0.00 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.23 1s6l s LEU 24 Cb 0.00 -1.52 0.16 0.00 0.50 0.00 0.00 46.19 45.34 1s6l s LEU 24 CO 0.00 0.06 0.37 0.68 -1.32 0.00 0.00 176.35 176.14 1s6l s VAL 25 N -2.07 1.17 0.21 1.68 -7.23 -1.26 -4.42 120.40 108.48 1s6l s VAL 25 Ca 0.28 -3.07 -0.09 0.00 -1.81 0.00 0.00 61.98 57.29 1s6l s VAL 25 Cb -0.07 -1.79 0.16 0.00 0.56 0.00 0.00 36.38 35.23 1s6l s VAL 25 CO 0.16 -1.13 1.72 -0.65 -0.31 0.00 0.00 175.10 174.90 1s6l h PRO 26 N 5.74 0.32 0.04 4.82 0.11 -1.96 0.83 132.00 141.89 1s6l h PRO 26 Ca 0.20 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1s6l h PRO 26 Cb 0.87 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 1s6l h PRO 26 CO 0.48 0.21 -0.41 1.37 -0.21 0.00 0.00 178.00 179.44 1s6l h LEU 27 N 0.33 -1.24 -0.84 2.35 8.10 -1.95 0.32 115.31 122.38 1s6l h LEU 27 Ca 0.32 0.15 -0.09 0.00 0.11 0.00 0.00 57.88 58.36 1s6l h LEU 27 Cb 0.44 0.48 -0.01 0.00 -0.44 0.00 0.00 40.66 41.12 1s6l h LEU 27 CO -0.36 -0.46 -0.45 -0.07 -4.11 0.00 0.00 178.44 172.99 1s6l h LEU 28 N -0.59 0.00 0.27 0.17 3.38 -1.89 -0.99 115.31 115.66 1s6l h LEU 28 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1s6l h LEU 28 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1s6l h LEU 28 CO -0.29 0.45 -0.13 -0.09 0.09 0.00 0.00 178.44 178.47 1s6l h ARG 29 N 0.00 -0.35 0.00 1.13 9.65 0.16 0.68 114.38 125.64 1s6l h ARG 29 Ca -0.00 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1s6l h ARG 29 Cb 0.98 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1s6l h ARG 29 CO 0.06 -0.11 -0.32 1.49 2.80 0.00 0.00 179.97 183.88 1s6l h GLU 30 N -0.54 0.00 -0.19 0.20 4.57 -0.40 -2.98 114.58 115.23 1s6l h GLU 30 Ca -0.04 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 1s6l h GLU 30 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1s6l h GLU 30 CO 0.06 0.32 -0.28 1.25 -1.18 0.00 0.00 179.01 179.18 1s6l h LEU 31 N 0.00 0.58 -2.00 1.64 5.85 -0.70 -2.98 115.31 117.71 1s6l h LEU 31 Ca -0.00 -0.52 0.17 0.00 0.84 0.00 0.00 57.88 58.37 1s6l h LEU 31 Cb 0.74 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1s6l h LEU 31 CO 0.04 0.98 0.47 0.00 -0.34 0.00 0.00 178.44 179.59 1s6l h ALA 32 N 0.61 2.45 0.00 1.25 0.00 0.51 0.93 119.26 125.02 1s6l h ALA 32 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s6l h ALA 32 Cb 0.86 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1s6l h ALA 32 CO 0.07 -0.76 -0.01 0.87 0.00 0.00 0.00 179.25 179.41 1s6l h LYS 33 N 0.00 0.00 -4.56 0.00 1.57 -1.54 -3.47 116.57 108.57 1s6l h LYS 33 Ca 0.28 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.85 1s6l h LYS 33 Cb 1.20 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.64 1s6l h LYS 33 CO -0.00 0.01 -0.55 0.41 -0.57 0.00 0.00 179.45 178.75 1s6l n GLY 34 N -0.57 -0.27 3.29 3.86 0.00 0.32 -5.06 105.19 106.76 1s6l n GLY 34 Ca -0.01 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1s6l n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 35 N -4.53 1.24 -0.25 1.61 0.52 -1.26 -5.11 118.95 111.17 1s6l s ARG 35 Ca 0.13 -1.62 -0.29 0.00 -0.52 0.00 0.00 55.73 53.43 1s6l s ARG 35 Cb -0.02 -0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.00 1s6l s ARG 35 CO 0.50 -0.13 1.66 -1.25 0.02 0.00 0.00 175.30 176.10 1s6l s PRO 36 N -3.90 3.68 -0.28 3.54 0.04 -1.26 -4.92 135.00 131.91 1s6l s PRO 36 Ca 0.27 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1s6l s PRO 36 Cb 0.06 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 30.58 1s6l s PRO 36 CO 0.07 -1.44 -0.07 0.08 0.04 0.00 0.00 177.00 175.68 1s6l s VAL 37 N 5.62 2.48 0.83 -0.36 1.01 -1.26 -5.08 120.40 123.64 1s6l s VAL 37 Ca 0.73 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1s6l s VAL 37 Cb -0.24 -2.45 0.17 0.00 0.00 0.00 0.00 36.38 33.86 1s6l s VAL 37 CO 0.31 -0.07 1.14 -0.94 0.00 0.00 0.00 175.10 175.54 1s6l s SER 38 N 1.16 3.71 0.18 3.32 1.04 -1.26 -2.97 113.70 118.88 1s6l s SER 38 Ca -0.07 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 1s6l s SER 38 Cb -0.20 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.11 1s6l s SER 38 CO -0.04 -2.31 1.52 0.08 0.98 0.00 0.00 173.24 173.48 1s6l h ARG 39 N -1.01 0.70 -0.01 4.02 -0.00 -1.97 0.35 114.38 116.46 1s6l h ARG 39 Ca -0.38 -0.38 -0.07 0.00 -0.00 0.00 0.00 59.98 59.15 1s6l h ARG 39 Cb 1.24 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 31.23 1s6l h ARG 39 CO 0.35 1.00 -0.31 1.79 -0.00 0.00 0.00 179.97 182.80 1s6l h THR 40 N 0.56 1.23 0.18 0.08 1.35 -1.95 1.52 112.91 115.88 1s6l h THR 40 Ca 0.04 -1.09 -0.29 0.00 -0.55 0.00 0.00 66.41 64.52 1s6l h THR 40 Cb 0.99 1.58 0.02 0.00 -1.73 0.00 0.00 68.15 69.01 1s6l h THR 40 CO 0.09 0.31 -1.39 0.74 -0.25 0.00 0.00 175.52 175.03 1s6l h THR 41 N 0.01 1.18 -0.60 6.82 2.02 -1.89 1.15 112.91 121.60 1s6l h THR 41 Ca -0.00 -2.54 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 1s6l h THR 41 Cb 0.56 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.87 1s6l h THR 41 CO 0.04 0.78 0.24 0.25 0.37 0.00 0.00 175.52 177.20 1s6l h LEU 42 N -0.09 0.79 -0.18 2.58 6.46 -0.00 1.90 115.31 126.76 1s6l h LEU 42 Ca -0.27 -0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.26 1s6l h LEU 42 Cb 1.93 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1s6l h LEU 42 CO 0.17 0.70 -0.39 0.00 -0.62 0.00 0.00 178.44 178.30 1s6l h ALA 43 N 1.41 0.29 -0.05 1.25 0.00 0.21 0.16 119.26 122.54 1s6l h ALA 43 Ca 0.20 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1s6l h ALA 43 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s6l h ALA 43 CO -0.02 0.39 -0.42 0.78 0.00 0.00 0.00 179.25 179.98 1s6l h GLY 44 N 0.25 0.11 0.78 0.00 0.00 0.23 0.29 103.07 104.73 1s6l h GLY 44 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1s6l h GLY 44 CO 0.09 0.09 -0.80 -2.22 0.00 0.00 0.00 176.54 173.70 1s6l h ILE 45 N 0.09 1.46 0.00 2.60 2.04 0.30 -3.15 117.51 120.86 1s6l h ILE 45 Ca 0.01 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1s6l h ILE 45 Cb 0.78 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1s6l h ILE 45 CO 0.06 0.69 0.00 0.18 0.00 0.00 0.00 178.15 179.08 1s6l n LEU 46 N -4.12 0.03 -1.64 1.44 4.32 0.55 -4.84 117.00 112.76 1s6l n LEU 46 Ca -0.13 0.50 -0.20 0.00 -0.02 0.00 0.00 56.01 56.17 1s6l n LEU 46 Cb 0.80 -0.50 -0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1s6l n LEU 46 CO 0.49 -0.11 -0.20 -0.67 -1.22 0.00 0.00 177.39 175.69 1s6l n ASP 47 N -1.53 -5.45 -4.66 -1.43 2.03 0.78 -4.95 116.55 101.34 1s6l n ASP 47 Ca 0.06 0.42 -0.35 0.00 0.52 0.00 0.00 54.79 55.44 1s6l n ASP 47 Cb 0.28 -4.67 -0.10 0.00 -0.72 0.00 0.00 41.12 35.91 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 -2.78 3.13 0.31 -0.67 0.52 0.17 -4.99 118.94 114.64 1s6l s TRP 48 Ca 0.00 0.14 -0.27 0.00 0.02 0.00 0.00 56.10 55.98 1s6l s TRP 48 Cb 0.00 -1.81 -0.14 0.00 -1.15 0.00 0.00 33.47 30.38 1s6l s TRP 48 CO 0.00 0.41 1.00 -0.35 0.02 0.00 0.00 176.95 178.03 1s6l n PRO 49 N 2.31 1.36 0.23 4.98 -0.04 -1.26 -4.42 135.00 138.16 1s6l n PRO 49 Ca -0.18 0.48 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 1s6l n PRO 49 Cb 0.53 -1.87 0.52 0.00 -0.04 0.00 0.00 33.50 32.65 1s6l n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s6l h ALA 50 N 1.92 1.26 0.03 0.55 0.00 -1.90 0.10 119.26 121.24 1s6l h ALA 50 Ca -0.40 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 1s6l h ALA 50 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1s6l h ALA 50 CO 0.60 -0.26 -1.02 1.05 0.00 0.00 0.00 179.25 179.61 1s6l h GLU 51 N 0.00 0.11 -0.42 0.00 4.11 -1.97 -1.87 114.58 114.53 1s6l h GLU 51 Ca 0.00 -0.17 -0.13 0.00 0.07 0.00 0.00 59.36 59.14 1s6l h GLU 51 Cb 0.65 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1s6l h GLU 51 CO 0.00 1.03 -0.24 -0.09 0.07 0.00 0.00 179.01 179.78 1s6l h ARG 52 N 0.04 0.91 -0.20 1.06 9.65 -1.11 0.11 114.38 124.83 1s6l h ARG 52 Ca -0.05 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 1s6l h ARG 52 Cb 1.74 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 30.29 1s6l h ARG 52 CO 0.15 1.07 0.09 0.28 2.80 0.00 0.00 179.97 184.36 1s6l h VAL 53 N 0.74 1.14 -0.20 0.20 2.07 -1.56 -1.67 116.25 116.96 1s6l h VAL 53 Ca 0.09 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1s6l h VAL 53 Cb 0.81 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1s6l h VAL 53 CO 0.07 0.14 -0.19 0.00 0.02 0.00 0.00 177.57 177.60 1s6l h ALA 54 N 0.95 -0.07 -0.80 1.67 0.00 -1.08 0.27 119.26 120.20 1s6l h ALA 54 Ca 0.07 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1s6l h ALA 54 Cb 0.14 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1s6l h ALA 54 CO -0.01 -0.62 0.41 0.00 0.00 0.00 0.00 179.25 179.03 1s6l h ALA 55 N 0.87 1.16 -0.14 0.00 0.00 -0.54 0.26 119.26 120.88 1s6l h ALA 55 Ca 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1s6l h ALA 55 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s6l h ALA 55 CO -0.33 -0.06 -0.45 0.28 0.00 0.00 0.00 179.25 178.70 1s6l h VAL 56 N 0.63 1.32 -0.53 0.00 2.07 -0.28 -2.91 116.25 116.54 1s6l h VAL 56 Ca 0.42 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1s6l h VAL 56 Cb 0.53 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1s6l h VAL 56 CO -0.32 0.49 0.25 -0.07 0.02 0.00 0.00 177.57 177.93 1s6l h LEU 57 N 0.28 0.67 -2.23 2.57 3.38 0.16 -1.28 115.31 118.85 1s6l h LEU 57 Ca 0.02 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1s6l h LEU 57 Cb 0.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1s6l h LEU 57 CO 0.07 0.58 0.16 -0.08 0.09 0.00 0.00 178.44 179.26 1s6l h GLU 58 N 0.74 0.00 0.00 1.13 4.81 -1.12 0.18 114.58 120.32 1s6l h GLU 58 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1s6l h GLU 58 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1s6l h GLU 58 CO -0.02 0.00 -0.86 1.04 -0.73 0.00 0.00 179.01 178.43 1s6l n GLN 59 N -3.93 0.39 -1.19 1.92 1.13 -0.51 -3.96 117.38 111.24 1s6l n GLN 59 Ca 0.01 0.07 -0.26 0.00 -1.94 0.00 0.00 57.00 54.88 1s6l n GLN 59 Cb 0.28 -1.70 0.13 0.00 0.11 0.00 0.00 30.24 29.06 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 -1.94 5.68 0.33 -1.58 0.00 0.61 -4.55 120.51 119.06 1s6l n ALA 60 Ca 0.02 -2.89 0.21 0.00 0.00 0.00 0.00 53.44 50.77 1s6l n ALA 60 Cb 0.47 -1.53 1.12 0.00 0.00 0.00 0.00 19.45 19.51 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 0.96 0.08 0.00 0.00 1.35 -1.67 0.11 112.91 113.74 1s6l h THR 61 Ca 0.59 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.36 1s6l h THR 61 Cb 2.06 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1s6l h THR 61 CO 1.20 0.00 -1.09 0.77 -0.25 0.00 0.00 175.52 176.14 1s6l h SER 62 N 0.00 0.00 -3.89 5.36 4.64 -1.91 -3.47 113.55 114.29 1s6l h SER 62 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.78 1s6l h SER 62 Cb 0.12 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.32 1s6l h SER 62 CO -0.00 0.29 0.72 0.41 -0.87 0.00 0.00 176.83 177.38 1s6l n THR 63 N -2.84 2.35 -3.00 2.95 -1.04 0.02 -4.96 114.28 107.77 1s6l n THR 63 Ca -0.04 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.07 1s6l n THR 63 Cb 0.69 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 1s6l n THR 63 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1s6l s GLU 64 N -2.24 4.46 0.47 -2.82 1.03 -1.26 -5.07 118.70 113.28 1s6l s GLU 64 Ca 0.57 1.00 0.08 0.00 0.03 0.00 0.00 54.97 56.64 1s6l s GLU 64 Cb -0.47 -3.41 0.01 0.00 -0.80 0.00 0.00 34.13 29.46 1s6l s GLU 64 CO 0.61 0.16 0.47 0.71 -1.33 0.00 0.00 175.26 175.88 1s6l s TYR 65 N 0.41 2.28 -0.06 4.83 2.02 -1.26 -3.05 117.35 122.52 1s6l s TYR 65 Ca 0.39 -0.60 -0.15 0.00 -0.37 0.00 0.00 57.07 56.34 1s6l s TYR 65 Cb -0.19 -2.14 0.03 0.00 -0.40 0.00 0.00 41.96 39.25 1s6l s TYR 65 CO 0.21 -0.39 0.35 0.16 -1.57 0.00 0.00 175.55 174.31 1s6l s ASP 66 N -4.27 -0.28 0.95 2.29 -4.77 -0.91 -4.83 116.67 104.85 1s6l s ASP 66 Ca 0.48 0.33 0.00 0.00 -3.30 0.00 0.00 52.55 50.06 1s6l s ASP 66 Cb -0.04 0.47 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 1s6l s ASP 66 CO 0.29 -0.35 0.00 1.17 0.70 0.00 0.00 175.17 176.97 1s6l n LYS 67 N 1.77 0.00 0.00 2.11 3.00 -1.26 -1.93 118.16 121.85 1s6l n LYS 67 Ca -0.19 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.24 1s6l n LYS 67 Cb 0.56 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.82 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1s6l n ASP 68 N 8.66 0.53 0.00 3.14 8.00 -1.26 -4.90 116.55 130.72 1s6l n ASP 68 Ca 0.00 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1s6l n ASP 68 Cb 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6l n GLY 69 N 1.49 2.00 3.94 0.44 0.00 -0.81 -5.14 105.19 107.10 1s6l n GLY 69 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.66 -0.31 1.61 2.20 -1.04 -4.71 114.94 115.36 1s6l s ASN 70 Ca 0.00 0.34 -0.29 0.00 -0.94 0.00 0.00 52.86 51.97 1s6l s ASN 70 Cb 0.00 -0.93 0.02 0.00 -2.00 0.00 0.00 41.25 38.33 1s6l s ASN 70 CO 0.00 -1.69 1.08 -0.63 -2.94 0.00 0.00 177.10 172.93 1s6l s ILE 71 N -3.26 4.51 -0.13 0.54 1.09 -1.16 -2.14 121.20 120.65 1s6l s ILE 71 Ca 0.62 1.75 0.16 0.00 -1.10 0.00 0.00 60.65 62.08 1s6l s ILE 71 Cb -0.10 -4.39 -0.07 0.00 -1.06 0.00 0.00 42.46 36.84 1s6l s ILE 71 CO 0.45 -0.44 1.05 -0.29 -0.10 0.00 0.00 174.94 175.60 1s6l h ILE 72 N 5.71 0.64 0.00 2.92 2.10 -1.86 -3.38 117.51 123.64 1s6l h ILE 72 Ca -0.21 -2.09 0.00 0.00 1.08 0.00 0.00 64.86 63.64 1s6l h ILE 72 Cb 1.06 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 1s6l h ILE 72 CO 1.03 0.37 0.00 0.61 -1.08 0.00 0.00 178.15 179.07 1s6l n GLY 73 N 1.33 1.87 3.75 8.18 0.00 -1.26 -4.99 105.19 114.06 1s6l n GLY 73 Ca -0.05 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 1s6l n GLY 73 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6l s TYR 74 N -2.33 2.95 0.00 1.61 6.14 -1.26 -4.74 117.35 119.72 1s6l s TYR 74 Ca 0.00 -0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.56 1s6l s TYR 74 Cb 0.00 -1.33 0.00 0.00 0.42 0.00 0.00 41.96 41.05 1s6l s TYR 74 CO 0.00 0.56 0.00 0.41 0.64 0.00 0.00 175.55 177.16 1s6l n GLY 75 N -0.97 3.50 3.92 8.97 0.00 -1.26 -5.08 105.19 114.26 1s6l n GLY 75 Ca -0.07 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 4.07 0.25 0.99 2.34 -1.25 -4.52 118.68 120.55 1s6l s LEU 76 Ca 0.00 0.59 0.09 0.00 0.06 0.00 0.00 54.13 54.87 1s6l s LEU 76 Cb 0.00 -3.41 -0.04 0.00 -0.56 0.00 0.00 46.19 42.18 1s6l s LEU 76 CO 0.00 -0.20 0.04 0.28 -1.06 0.00 0.00 176.35 175.41 1s6l s THR 77 N -2.12 3.72 0.26 5.48 -1.32 -1.26 -5.02 115.64 115.38 1s6l s THR 77 Ca 0.42 -1.71 0.21 0.00 -1.21 0.00 0.00 61.69 59.40 1s6l s THR 77 Cb -0.10 -2.97 0.19 0.00 -1.51 0.00 0.00 72.50 68.11 1s6l s THR 77 CO 0.32 -0.32 1.86 -0.07 -2.21 0.00 0.00 174.62 174.20 1s6l h LEU 78 N 1.95 0.00 -9.68 9.08 -0.00 -2.01 -3.43 115.31 111.22 1s6l h LEU 78 Ca -0.46 0.00 -0.64 0.00 -0.00 0.00 0.00 57.88 56.78 1s6l h LEU 78 Cb 1.24 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.82 1s6l h LEU 78 CO 0.60 0.27 -0.55 -0.13 -0.00 0.00 0.00 178.44 178.63 1s6l s ARG 79 N -3.87 3.18 0.17 1.13 0.52 -1.26 -5.06 118.95 113.75 1s6l s ARG 79 Ca -0.01 -0.47 -0.32 0.00 -0.52 0.00 0.00 55.73 54.41 1s6l s ARG 79 Cb 0.12 -2.92 -0.10 0.00 0.52 0.00 0.00 34.95 32.56 1s6l s ARG 79 CO 0.65 0.64 1.60 -2.00 0.02 0.00 0.00 175.30 176.21 1s6l s GLU 80 N -2.00 4.20 0.37 3.54 2.12 -1.26 -5.01 118.70 120.66 1s6l s GLU 80 Ca 0.27 2.41 0.04 0.00 0.36 0.00 0.00 54.97 58.05 1s6l s GLU 80 Cb -0.12 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.14 1s6l s GLU 80 CO 0.18 -0.64 0.37 0.25 -0.54 0.00 0.00 175.26 174.88 1s6l n THR 81 N 4.03 0.00 -0.01 -1.70 -2.24 -1.26 -5.05 114.28 108.05 1s6l n THR 81 Ca 0.14 -1.40 -0.11 0.00 -2.27 0.00 0.00 64.05 60.42 1s6l n THR 81 Cb 0.38 -0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1s6l n THR 81 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6l h SER 82 N 0.31 0.08 -3.50 3.42 0.02 -1.93 -3.45 113.55 108.49 1s6l h SER 82 Ca -0.21 -0.18 -0.62 0.00 -0.84 0.00 0.00 61.79 59.95 1s6l h SER 82 Cb 0.84 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.24 1s6l h SER 82 CO 0.33 1.16 0.20 -0.31 -1.14 0.00 0.00 176.83 177.06 1s6l s TYR 83 N -2.60 3.22 -0.08 3.45 1.51 -1.25 -4.64 117.35 116.96 1s6l s TYR 83 Ca -0.07 0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 56.63 1s6l s TYR 83 Cb 0.08 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.88 1s6l s TYR 83 CO 0.82 -0.47 -0.03 0.08 -1.11 0.00 0.00 175.55 174.83 1s6l s VAL 84 N 2.66 3.99 -0.27 0.71 1.01 -0.58 -1.43 120.40 126.49 1s6l s VAL 84 Ca 0.27 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1s6l s VAL 84 Cb -0.15 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.64 1s6l s VAL 84 CO 0.11 0.59 -0.04 0.12 0.00 0.00 0.00 175.10 175.89 1s6l s PHE 85 N -0.74 2.93 -0.24 5.22 5.36 0.14 -0.39 117.98 130.27 1s6l s PHE 85 Ca 0.11 -2.22 -0.12 0.00 -0.96 0.00 0.00 56.93 53.74 1s6l s PHE 85 Cb -0.11 -2.01 -0.05 0.00 -0.34 0.00 0.00 43.02 40.51 1s6l s PHE 85 CO 0.02 -0.86 0.24 -1.21 -1.46 0.00 0.00 175.22 171.95 1s6l s GLU 86 N 1.21 4.08 -0.03 10.12 2.02 0.36 0.21 118.70 136.66 1s6l s GLU 86 Ca -0.02 -0.13 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 1s6l s GLU 86 Cb -0.19 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.51 1s6l s GLU 86 CO -0.08 -0.02 0.05 0.96 0.02 0.00 0.00 175.26 176.19 1s6l s ILE 87 N 1.29 -0.08 0.00 -1.63 -4.36 -0.15 0.12 121.20 116.38 1s6l s ILE 87 Ca 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1s6l s ILE 87 Cb -0.14 -0.11 0.00 0.00 1.25 0.00 0.00 42.46 43.45 1s6l s ILE 87 CO 0.07 0.12 0.00 0.47 0.24 0.00 0.00 174.94 175.84 1s6l n ASP 88 N 4.60 0.00 -2.22 4.36 9.92 -1.26 -0.96 116.55 130.99 1s6l n ASP 88 Ca -0.19 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.05 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 -0.67 0.13 0.00 0.00 177.20 176.66 1s6l n ASP 89 N 0.71 -0.80 -3.92 -2.24 -0.08 -1.26 -5.12 116.55 103.84 1s6l n ASP 89 Ca 0.00 -2.13 -0.10 0.00 -1.51 0.00 0.00 54.79 51.05 1s6l n ASP 89 Cb 0.00 0.38 -0.11 0.00 2.34 0.00 0.00 41.12 43.72 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1s6l s ARG 90 N -0.45 0.29 -0.74 -0.67 1.81 -0.14 -5.11 118.95 113.94 1s6l s ARG 90 Ca 0.11 -0.39 -0.03 0.00 -1.72 0.00 0.00 55.73 53.70 1s6l s ARG 90 Cb 0.32 0.11 0.19 0.00 -0.45 0.00 0.00 34.95 35.12 1s6l s ARG 90 CO -0.09 -0.05 0.59 -0.98 -0.68 0.00 0.00 175.30 174.09 1s6l s ARG 91 N -1.07 2.89 0.85 3.54 3.03 -1.26 -0.98 118.95 125.96 1s6l s ARG 91 Ca -0.12 -2.83 -0.11 0.00 2.03 0.00 0.00 55.73 54.70 1s6l s ARG 91 Cb -0.07 -3.85 0.10 0.00 -1.03 0.00 0.00 34.95 30.10 1s6l s ARG 91 CO -0.00 -1.22 1.09 -0.51 -1.13 0.00 0.00 175.30 173.53 1s6l s LEU 92 N -0.57 2.44 0.13 -1.89 2.01 0.57 -4.79 118.68 116.58 1s6l s LEU 92 Ca 0.21 1.46 0.04 0.00 0.01 0.00 0.00 54.13 55.85 1s6l s LEU 92 Cb -0.15 -3.97 -0.04 0.00 0.01 0.00 0.00 46.19 42.04 1s6l s LEU 92 CO -0.07 -2.36 -0.10 -0.31 1.01 0.00 0.00 176.35 174.51 1s6l s TYR 93 N -3.00 1.22 0.11 0.29 1.51 -1.26 0.29 117.35 116.51 1s6l s TYR 93 Ca 0.62 -0.74 -0.05 0.00 -1.01 0.00 0.00 57.07 55.90 1s6l s TYR 93 Cb -0.17 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.03 1s6l s TYR 93 CO 0.56 0.06 0.13 0.00 -1.11 0.00 0.00 175.55 175.19 1s6l s ALA 94 N -3.12 0.32 -1.62 3.71 0.00 -0.51 -3.91 121.76 116.63 1s6l s ALA 94 Ca 0.14 -1.08 0.27 0.00 0.00 0.00 0.00 51.96 51.30 1s6l s ALA 94 Cb 0.01 0.66 0.87 0.00 0.00 0.00 0.00 23.12 24.66 1s6l s ALA 94 CO 0.00 -0.51 1.64 0.91 0.00 0.00 0.00 175.76 177.81 1s6l n TRP 95 N -0.08 0.00 -1.53 0.00 7.02 -1.26 -3.96 117.44 117.63 1s6l n TRP 95 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 1s6l n TRP 95 Cb 0.63 -0.16 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l s ALA 97 N -1.52 2.48 0.00 0.00 0.00 0.41 -2.99 121.76 120.14 1s6l s ALA 97 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1s6l s ALA 97 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1s6l s ALA 97 CO 0.00 -1.48 0.00 1.28 0.00 0.00 0.00 175.76 175.56 1s6l n LEU 98 N -1.70 0.00 -0.00 0.00 4.77 -1.26 -3.15 117.00 115.66 1s6l n LEU 98 Ca 0.15 0.00 0.23 0.00 -0.03 0.00 0.00 56.01 56.35 1s6l n LEU 98 Cb 0.48 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.20 1s6l n LEU 98 CO 0.47 0.00 1.20 0.44 -1.33 0.00 0.00 177.39 178.18 1s6l h ASP 99 N 0.00 0.00 -0.93 -1.43 5.19 -1.39 0.35 116.42 118.20 1s6l h ASP 99 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1s6l h ASP 99 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1s6l h ASP 99 CO 0.00 0.00 0.61 0.71 -3.12 0.00 0.00 179.24 177.44 1s6l h THR 100 N 0.00 1.24 -3.35 0.35 1.35 -1.83 -3.45 112.91 107.23 1s6l h THR 100 Ca 0.29 -0.46 -0.37 0.00 -0.55 0.00 0.00 66.41 65.32 1s6l h THR 100 Cb 1.75 -0.12 -0.14 0.00 -1.73 0.00 0.00 68.15 67.90 1s6l h THR 100 CO -0.00 0.24 -0.66 -0.22 -0.25 0.00 0.00 175.52 174.62 1s6l s LEU 101 N -10.03 2.20 0.00 3.87 2.96 0.12 -4.85 118.68 112.95 1s6l s LEU 101 Ca -0.12 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 52.58 1s6l s LEU 101 Cb 0.18 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.61 1s6l s LEU 101 CO 0.81 -0.50 0.00 2.30 -1.32 0.00 0.00 176.35 177.64 1s6l n ILE 102 N -0.39 0.00 -3.15 6.68 -5.35 -1.26 -4.85 119.36 111.03 1s6l n ILE 102 Ca -0.05 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.47 1s6l n ILE 102 Cb 0.64 -0.57 -0.00 0.00 -1.74 0.00 0.00 39.64 37.96 1s6l n ILE 102 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1s6l s PHE 103 N -1.90 -1.28 0.12 4.28 -0.12 -1.26 -5.02 117.98 112.79 1s6l s PHE 103 Ca 0.00 0.93 0.14 0.00 -0.05 0.00 0.00 56.93 57.95 1s6l s PHE 103 Cb 0.00 0.29 0.32 0.00 -0.63 0.00 0.00 43.02 43.00 1s6l s PHE 103 CO 0.00 -0.73 1.56 -1.00 -0.05 0.00 0.00 175.22 175.00 1s6l h PRO 104 N 7.81 0.00 0.00 1.99 0.13 -1.92 -2.99 132.00 137.02 1s6l h PRO 104 Ca -0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1s6l h PRO 104 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1s6l h PRO 104 CO 0.08 0.57 -0.30 0.00 -0.23 0.00 0.00 178.00 178.12 1s6l h ALA 105 N 1.43 0.88 0.18 -0.56 0.00 -1.77 -3.23 119.26 116.19 1s6l h ALA 105 Ca -0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 1s6l h ALA 105 Cb 1.20 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1s6l h ALA 105 CO 0.07 0.37 -1.61 -0.07 0.00 0.00 0.00 179.25 178.01 1s6l h LEU 106 N 0.00 0.59 -0.26 0.00 4.07 -1.90 -3.37 115.31 114.44 1s6l h LEU 106 Ca -0.00 -0.92 0.04 0.00 0.08 0.00 0.00 57.88 57.08 1s6l h LEU 106 Cb 1.04 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 1s6l h LEU 106 CO 0.04 1.73 0.00 -0.29 -1.08 0.00 0.00 178.44 178.84 1s6l h ILE 107 N 0.00 0.82 0.00 1.22 6.09 -1.59 -3.47 117.51 120.58 1s6l h ILE 107 Ca -0.32 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1s6l h ILE 107 Cb 2.02 0.72 0.00 0.00 0.47 0.00 0.00 36.82 40.03 1s6l h ILE 107 CO 0.16 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 175.87 1s6l n GLY 108 N -1.21 1.15 3.61 8.18 0.00 -1.22 -5.08 105.19 110.61 1s6l n GLY 108 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.00 1.74 0.45 1.61 6.06 -1.26 -5.02 118.95 121.53 1s6l s ARG 109 Ca 0.00 -1.39 -0.18 0.00 -2.50 0.00 0.00 55.73 51.66 1s6l s ARG 109 Cb 0.00 0.49 -0.10 0.00 0.06 0.00 0.00 34.95 35.41 1s6l s ARG 109 CO 0.00 -0.74 0.94 0.99 -2.50 0.00 0.00 175.30 173.98 1s6l s THR 110 N -3.55 4.48 -0.18 4.11 2.01 -1.26 -4.14 115.64 117.11 1s6l s THR 110 Ca 0.23 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.50 1s6l s THR 110 Cb -0.01 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.91 1s6l s THR 110 CO 0.12 -0.45 0.06 0.00 -0.69 0.00 0.00 174.62 173.66 1s6l s ALA 111 N -2.33 0.70 -0.23 7.40 0.00 0.30 -4.07 121.76 123.53 1s6l s ALA 111 Ca 0.60 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 1s6l s ALA 111 Cb -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1s6l s ALA 111 CO 0.21 -1.16 0.98 1.03 0.00 0.00 0.00 175.76 176.81 1s6l s ARG 112 N 2.01 4.24 -0.14 0.00 0.52 0.32 0.15 118.95 126.05 1s6l s ARG 112 Ca 0.01 1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 56.44 1s6l s ARG 112 Cb -0.16 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 1s6l s ARG 112 CO -0.08 -0.58 -0.10 0.08 0.02 0.00 0.00 175.30 174.63 1s6l s VAL 113 N 3.05 3.31 -0.04 3.52 1.01 0.30 0.13 120.40 131.68 1s6l s VAL 113 Ca 0.42 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.89 1s6l s VAL 113 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1s6l s VAL 113 CO 0.07 0.51 -0.22 -0.44 0.00 0.00 0.00 175.10 175.02 1s6l s SER 114 N 0.39 2.68 0.25 3.32 0.01 0.48 0.13 113.70 120.96 1s6l s SER 114 Ca -0.08 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1s6l s SER 114 Cb -0.15 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 1s6l s SER 114 CO 0.05 0.24 0.23 -0.94 0.41 0.00 0.00 173.24 173.22 1s6l s SER 115 N -0.26 0.59 -0.02 2.44 1.04 0.54 -1.53 113.70 116.49 1s6l s SER 115 Ca 0.01 -1.45 0.02 0.00 0.48 0.00 0.00 55.95 55.01 1s6l s SER 115 Cb -0.11 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1s6l s SER 115 CO 0.02 -0.96 -0.05 -1.00 0.98 0.00 0.00 173.24 172.22 1s6l s HIS 116 N -3.87 0.64 0.24 5.02 3.76 -1.26 0.13 115.29 119.94 1s6l s HIS 116 Ca 0.37 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.84 1s6l s HIS 116 Cb 0.04 -0.49 -0.10 0.00 1.11 0.00 0.00 32.58 33.14 1s6l s HIS 116 CO 0.17 -0.09 1.49 0.00 -0.85 0.00 0.00 174.74 175.46 1s6l n ALA 118 N 2.70 2.01 0.01 0.00 0.00 -1.26 -0.63 120.51 123.35 1s6l n ALA 118 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1s6l n ALA 118 Cb 0.39 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1s6l n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 119 N -1.20 3.00 0.07 0.00 0.00 -1.26 -4.80 120.51 116.31 1s6l n ALA 119 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.55 1s6l n ALA 119 Cb 0.12 0.39 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 0.55 0.00 0.00 2.02 -1.95 -3.47 112.91 110.06 1s6l h THR 120 Ca 0.00 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1s6l h THR 120 Cb 0.75 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1s6l h THR 120 CO 0.00 0.32 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1s6l n GLY 121 N 1.33 0.51 3.71 2.16 0.00 0.20 -4.92 105.19 108.19 1s6l n GLY 121 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l n ALA 122 N 1.00 1.23 -2.58 4.61 0.00 -1.26 -4.34 120.51 119.17 1s6l n ALA 122 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1s6l n ALA 122 Cb 0.08 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.20 1s6l n ALA 122 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1s6l s PRO 123 N -2.89 3.43 -0.01 0.00 0.05 -1.26 -1.54 135.00 132.78 1s6l s PRO 123 Ca 0.74 0.11 -0.02 0.00 0.05 0.00 0.00 61.00 61.87 1s6l s PRO 123 Cb -0.42 -4.05 -0.04 0.00 0.05 0.00 0.00 34.50 30.04 1s6l s PRO 123 CO 0.48 -1.78 0.15 0.14 0.05 0.00 0.00 177.00 176.04 1s6l s VAL 124 N 5.08 5.21 -0.14 -0.36 -7.23 0.34 -4.59 120.40 118.72 1s6l s VAL 124 Ca 0.40 -0.22 -0.16 0.00 -1.81 0.00 0.00 61.98 60.19 1s6l s VAL 124 Cb -0.08 -3.41 0.04 0.00 0.56 0.00 0.00 36.38 33.49 1s6l s VAL 124 CO 0.23 0.35 0.44 -0.94 -0.31 0.00 0.00 175.10 174.87 1s6l s SER 125 N -1.84 -0.44 0.07 4.85 1.04 0.32 0.20 113.70 117.90 1s6l s SER 125 Ca 0.25 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.49 1s6l s SER 125 Cb -0.12 0.81 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 1s6l s SER 125 CO 0.17 -0.23 -0.09 -0.76 0.98 0.00 0.00 173.24 173.31 1s6l s LEU 126 N -0.08 2.34 -0.31 2.42 2.01 0.35 -0.85 118.68 124.56 1s6l s LEU 126 Ca -0.03 -0.70 -0.06 0.00 0.01 0.00 0.00 54.13 53.35 1s6l s LEU 126 Cb -0.03 -0.21 0.02 0.00 0.01 0.00 0.00 46.19 45.98 1s6l s LEU 126 CO 0.02 -0.26 0.08 -0.89 1.01 0.00 0.00 176.35 176.31 1s6l s THR 127 N -2.04 3.81 -0.40 5.49 2.01 -0.29 0.11 115.64 124.33 1s6l s THR 127 Ca -0.02 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1s6l s THR 127 Cb -0.05 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1s6l s THR 127 CO -0.01 -0.00 0.44 -0.69 -0.69 0.00 0.00 174.62 173.67 1s6l s VAL 128 N 1.45 5.08 0.50 3.82 1.01 0.39 -1.85 120.40 130.80 1s6l s VAL 128 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1s6l s VAL 128 Cb -0.18 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1s6l s VAL 128 CO 0.02 -0.33 0.48 -0.44 0.00 0.00 0.00 175.10 174.83 1s6l s SER 129 N 1.80 4.89 0.00 3.32 0.01 0.22 0.11 113.70 124.04 1s6l s SER 129 Ca 0.14 -0.98 0.17 0.00 1.31 0.00 0.00 55.95 56.59 1s6l s SER 129 Cb -0.17 0.04 0.85 0.00 0.21 0.00 0.00 66.02 66.96 1s6l s SER 129 CO 0.13 -1.00 1.52 -2.65 0.41 0.00 0.00 173.24 171.65 1s6l n PRO 130 N -1.79 0.21 0.00 12.44 -0.02 -1.24 -3.59 135.00 141.01 1s6l n PRO 130 Ca 0.04 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1s6l n PRO 130 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.31 4.20 -0.23 2.55 7.64 -1.26 -4.31 113.62 120.89 1s6l n SER 131 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1s6l n SER 131 Cb 0.15 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -1.87 0.00 -3.44 1.43 0.28 -1.24 -5.13 120.64 110.68 1s6l n GLU 132 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 1s6l n GLU 132 Cb 0.43 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.24 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 -2.01 4.94 -0.03 3.84 -4.36 -1.26 -0.61 121.20 121.70 1s6l s ILE 133 Ca 0.00 0.72 0.05 0.00 -0.26 0.00 0.00 60.65 61.16 1s6l s ILE 133 Cb 0.00 -3.71 0.08 0.00 1.25 0.00 0.00 42.46 40.07 1s6l s ILE 133 CO 0.00 0.30 0.98 1.67 0.24 0.00 0.00 174.94 178.13 1s6l n GLN 134 N 0.97 0.51 -2.81 0.37 7.27 -0.77 -4.94 117.38 117.98 1s6l n GLN 134 Ca -0.07 -1.38 -0.00 0.00 0.07 0.00 0.00 57.00 55.61 1s6l n GLN 134 Cb 0.52 -0.79 0.01 0.00 2.41 0.00 0.00 30.24 32.39 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 -0.81 -3.93 -0.25 1.69 0.00 -1.26 -4.88 121.76 112.32 1s6l s ALA 135 Ca 0.08 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1s6l s ALA 135 Cb 0.07 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1s6l s ALA 135 CO 0.01 -2.44 0.08 0.08 0.00 0.00 0.00 175.76 173.48 1s6l s VAL 136 N 1.58 4.40 -0.12 0.00 1.01 -1.26 -1.14 120.40 124.87 1s6l s VAL 136 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1s6l s VAL 136 Cb 0.04 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1s6l s VAL 136 CO -0.12 0.34 0.24 -0.70 0.00 0.00 0.00 175.10 174.87 1s6l s GLU 137 N 1.55 0.14 0.99 2.72 2.12 -0.03 -3.77 118.70 122.42 1s6l s GLU 137 Ca 0.06 0.67 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1s6l s GLU 137 Cb -0.15 -0.09 0.18 0.00 0.26 0.00 0.00 34.13 34.33 1s6l s GLU 137 CO 0.04 -0.26 1.08 -1.25 -0.54 0.00 0.00 175.26 174.33 1s6l s PRO 138 N 2.15 0.50 -1.16 4.30 0.04 -1.26 -0.52 135.00 139.05 1s6l s PRO 138 Ca -0.01 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 61.54 1s6l s PRO 138 Cb -0.12 -1.73 0.10 0.00 0.04 0.00 0.00 34.50 32.79 1s6l s PRO 138 CO -0.08 -2.73 1.51 0.00 0.04 0.00 0.00 177.00 175.75 1s6l s ALA 139 N -2.87 3.36 0.00 8.56 0.00 -1.25 -3.44 121.76 126.11 1s6l s ALA 139 Ca 0.65 -2.86 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1s6l s ALA 139 Cb -0.19 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1s6l s ALA 139 CO 0.58 -3.20 0.00 0.41 0.00 0.00 0.00 175.76 173.56 1s6l n GLY 140 N 5.43 0.00 3.58 0.00 0.00 -1.26 -5.15 105.19 107.79 1s6l n GLY 140 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 1s6l n GLY 140 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6l s MET 141 N 0.00 0.04 0.08 1.61 1.00 -1.22 -4.18 119.30 116.62 1s6l s MET 141 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 55.69 56.92 1s6l s MET 141 Cb 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 34.83 33.16 1s6l s MET 141 CO 0.00 -3.18 -0.12 0.00 0.00 0.00 0.00 175.02 171.72 1s6l s ALA 142 N -2.56 1.10 0.09 3.03 0.00 0.32 -3.69 121.76 120.05 1s6l s ALA 142 Ca 0.67 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.66 1s6l s ALA 142 Cb -0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1s6l s ALA 142 CO 0.61 0.08 -0.10 0.08 0.00 0.00 0.00 175.76 176.43 1s6l s VAL 143 N -1.68 3.38 0.03 0.00 1.01 0.47 0.31 120.40 123.92 1s6l s VAL 143 Ca -0.00 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 60.86 1s6l s VAL 143 Cb -0.08 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1s6l s VAL 143 CO 0.02 0.16 -0.23 -0.44 0.00 0.00 0.00 175.10 174.61 1s6l s SER 144 N -2.07 3.42 0.01 3.32 0.01 0.14 0.47 113.70 119.00 1s6l s SER 144 Ca 0.21 -0.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.96 1s6l s SER 144 Cb -0.11 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1s6l s SER 144 CO 0.13 0.28 0.19 -0.22 0.41 0.00 0.00 173.24 174.03 1s6l s LEU 145 N -1.16 4.37 -0.26 2.44 0.20 0.29 -2.88 118.68 121.69 1s6l s LEU 145 Ca 0.12 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.29 1s6l s LEU 145 Cb -0.10 -2.72 0.07 0.00 -0.43 0.00 0.00 46.19 43.01 1s6l s LEU 145 CO 0.02 0.23 -0.03 0.54 -0.29 0.00 0.00 176.35 176.83 1s6l s VAL 146 N -1.38 1.61 -0.32 1.68 0.11 -1.26 -3.60 120.40 117.24 1s6l s VAL 146 Ca 0.30 -1.40 -0.07 0.00 -2.93 0.00 0.00 61.98 57.87 1s6l s VAL 146 Cb -0.13 -1.93 0.01 0.00 -1.53 0.00 0.00 36.38 32.80 1s6l s VAL 146 CO 0.21 -0.21 0.26 0.18 -3.33 0.00 0.00 175.10 172.22 1s6l n LEU 147 N 4.62 -7.27 -4.76 2.54 7.99 -0.57 -4.10 117.00 115.44 1s6l n LEU 147 Ca -0.09 0.87 -0.32 0.00 -0.01 0.00 0.00 56.01 56.46 1s6l n LEU 147 Cb 0.43 -3.09 0.08 0.00 -0.11 0.00 0.00 43.42 40.73 1s6l n LEU 147 CO 0.18 -2.46 0.71 -2.16 -1.51 0.00 0.00 177.39 172.16 1s6l s PRO 148 N -1.93 2.37 -0.09 3.23 0.04 -1.25 -4.41 135.00 132.98 1s6l s PRO 148 Ca 0.11 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 1s6l s PRO 148 Cb -0.03 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1s6l s PRO 148 CO 0.68 -1.57 0.23 -0.65 0.04 0.00 0.00 177.00 175.73 1s6l s GLN 149 N -4.63 0.26 -0.05 4.56 -1.52 -1.26 -5.03 119.66 111.98 1s6l s GLN 149 Ca 0.63 0.34 0.21 0.00 -1.95 0.00 0.00 55.36 54.59 1s6l s GLN 149 Cb -0.19 0.10 -0.32 0.00 -0.22 0.00 0.00 33.01 32.38 1s6l s GLN 149 CO 0.51 -0.05 0.42 -1.91 -0.25 0.00 0.00 175.29 174.02 1s6l n GLU 150 N 3.12 0.66 -2.86 2.91 2.13 -1.26 -4.78 120.64 120.55 1s6l n GLU 150 Ca -0.14 -0.17 -0.09 0.00 0.66 0.00 0.00 57.16 57.42 1s6l n GLU 150 Cb 0.58 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.79 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s6l n ALA 151 N -2.29 -1.02 -3.61 4.31 0.00 -1.26 -5.13 120.51 111.51 1s6l n ALA 151 Ca -0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 53.44 51.84 1s6l n ALA 151 Cb 0.61 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l s ALA 152 N 0.65 -2.02 -0.05 0.00 0.00 -1.26 -5.07 121.76 114.01 1s6l s ALA 152 Ca 0.31 1.73 0.02 0.00 0.00 0.00 0.00 51.96 54.02 1s6l s ALA 152 Cb 0.06 -1.19 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1s6l s ALA 152 CO -0.11 -0.25 0.58 -3.47 0.00 0.00 0.00 175.76 172.51 1s6l n ASP 153 N 1.16 -0.26 -0.06 0.00 -0.08 -1.26 -4.73 116.55 111.31 1s6l n ASP 153 Ca -0.09 -1.03 -0.08 0.00 -1.51 0.00 0.00 54.79 52.08 1s6l n ASP 153 Cb 0.57 0.12 -0.07 0.00 2.34 0.00 0.00 41.12 44.08 1s6l n ASP 153 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1s6l n VAL 154 N -0.23 0.79 0.00 5.18 3.14 -1.26 -4.96 118.33 120.98 1s6l n VAL 154 Ca -0.04 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1s6l n VAL 154 Cb 0.52 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 1s6l n VAL 154 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1s6l n ARG 155 N -2.72 0.00 0.12 1.45 1.74 -1.26 -4.94 116.66 111.04 1s6l n ARG 155 Ca -0.22 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.93 1s6l n ARG 155 Cb 0.80 0.00 0.55 0.00 -1.02 0.00 0.00 32.46 32.79 1s6l n ARG 155 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1s6l h GLN 156 N 0.00 0.23 -6.25 5.56 1.08 -1.96 -3.41 115.11 110.37 1s6l h GLN 156 Ca 0.00 -0.01 -0.55 0.00 -1.45 0.00 0.00 58.65 56.63 1s6l h GLN 156 Cb 0.00 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1s6l h GLN 156 CO 0.00 0.15 1.09 0.45 -0.95 0.00 0.00 178.83 179.57 1s6l s SER 157 N -6.79 6.61 -0.16 1.46 0.15 -1.26 -4.87 113.70 108.83 1s6l s SER 157 Ca -0.06 2.06 0.14 0.00 0.70 0.00 0.00 55.95 58.79 1s6l s SER 157 Cb 0.18 -2.53 0.40 0.00 -1.71 0.00 0.00 66.02 62.35 1s6l s SER 157 CO 0.70 -1.00 1.20 0.49 1.20 0.00 0.00 173.24 175.83 1s6l n PHE 158 N 7.45 0.00 0.15 3.44 3.72 -1.26 -4.71 117.46 126.24 1s6l n PHE 158 Ca 0.18 -1.25 0.05 0.00 -0.05 0.00 0.00 57.45 56.37 1s6l n PHE 158 Cb 0.43 -0.22 0.05 0.00 -0.94 0.00 0.00 39.48 38.80 1s6l n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s6l n HIS 161 N -3.37 3.42 -2.09 0.00 8.25 -1.22 -2.56 115.22 117.65 1s6l n HIS 161 Ca -0.01 -3.13 -0.28 0.00 -0.26 0.00 0.00 57.72 54.04 1s6l n HIS 161 Cb 0.23 -0.60 0.13 0.00 1.12 0.00 0.00 29.99 30.87 1s6l n HIS 161 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1s6l s VAL 162 N -4.95 2.08 0.26 1.59 -7.23 -1.16 -4.66 120.40 106.33 1s6l s VAL 162 Ca 0.48 -0.15 0.10 0.00 -1.81 0.00 0.00 61.98 60.59 1s6l s VAL 162 Cb 0.34 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1s6l s VAL 162 CO -0.21 0.00 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.55 1s6l s HIS 163 N -3.59 2.66 -0.12 2.82 3.76 -1.14 0.15 115.29 119.84 1s6l s HIS 163 Ca 0.68 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1s6l s HIS 163 Cb -0.07 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.43 1s6l s HIS 163 CO 0.49 0.62 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.76 1s6l s PHE 164 N -2.28 2.70 -0.04 1.40 0.40 -1.26 0.26 117.98 119.16 1s6l s PHE 164 Ca 0.31 -0.85 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1s6l s PHE 164 Cb -0.07 -1.79 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1s6l s PHE 164 CO 0.19 -0.32 -0.02 -0.06 0.70 0.00 0.00 175.22 175.71 1s6l s PHE 165 N 0.37 3.05 0.59 0.36 0.40 0.92 -3.70 117.98 119.97 1s6l s PHE 165 Ca -0.14 0.08 0.29 0.00 -0.60 0.00 0.00 56.93 56.57 1s6l s PHE 165 Cb -0.17 -1.70 1.37 0.00 0.51 0.00 0.00 43.02 43.03 1s6l s PHE 165 CO 0.07 0.43 1.76 0.00 0.70 0.00 0.00 175.22 178.17 1s6l h ALA 166 N 4.77 2.45 -2.67 5.36 0.00 -1.90 0.93 119.26 128.21 1s6l h ALA 166 Ca -0.49 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1s6l h ALA 166 Cb 1.18 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1s6l h ALA 166 CO 0.55 -1.03 0.35 -1.12 0.00 0.00 0.00 179.25 178.00 1s6l s SER 167 N -4.81 -0.28 0.29 0.00 0.01 -1.26 -3.62 113.70 104.02 1s6l s SER 167 Ca -0.04 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1s6l s SER 167 Cb 0.16 0.58 0.44 0.00 0.21 0.00 0.00 66.02 67.42 1s6l s SER 167 CO 0.56 -1.05 1.72 0.58 0.41 0.00 0.00 173.24 175.45 1s6l h VAL 168 N 2.00 1.28 -0.14 3.43 2.07 -1.84 0.86 116.25 123.91 1s6l h VAL 168 Ca -0.23 -1.36 -0.20 0.00 0.82 0.00 0.00 66.70 65.73 1s6l h VAL 168 Cb 1.25 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1s6l h VAL 168 CO 0.27 0.42 -0.71 -0.65 0.02 0.00 0.00 177.57 176.91 1s6l h PRO 169 N 0.32 0.62 0.02 1.57 0.11 -1.95 0.88 132.00 133.57 1s6l h PRO 169 Ca 0.04 -0.48 -0.26 0.00 0.11 0.00 0.00 66.00 65.42 1s6l h PRO 169 Cb 0.72 0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.95 1s6l h PRO 169 CO 0.06 1.10 -1.01 1.15 -0.21 0.00 0.00 178.00 179.08 1s6l h THR 170 N 0.43 1.30 -0.36 -1.15 2.02 -1.92 5.47 112.91 118.69 1s6l h THR 170 Ca -0.03 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.89 1s6l h THR 170 Cb 1.31 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 70.15 1s6l h THR 170 CO 0.14 0.69 0.19 0.00 0.37 0.00 0.00 175.52 176.91 1s6l h ALA 171 N 0.37 0.47 0.00 6.16 0.00 0.81 1.02 119.26 128.09 1s6l h ALA 171 Ca -0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1s6l h ALA 171 Cb 1.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1s6l h ALA 171 CO 0.20 0.00 -0.69 0.93 0.00 0.00 0.00 179.25 179.69 1s6l h GLU 172 N 0.46 0.00 0.28 0.00 5.08 0.87 0.20 114.58 121.47 1s6l h GLU 172 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1s6l h GLU 172 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1s6l h GLU 172 CO -0.02 0.69 -0.13 0.22 -1.00 0.00 0.00 179.01 178.77 1s6l h ASP 173 N 0.00 -0.32 0.28 1.42 1.82 1.19 0.28 116.42 121.09 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 1.48 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.56 1s6l h ASP 173 CO 0.09 0.15 -0.21 -0.25 -1.61 0.00 0.00 179.24 177.41 1s6l h TRP 174 N -0.91 0.00 -0.65 0.28 2.91 0.96 -1.84 115.95 116.70 1s6l h TRP 174 Ca -0.04 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.91 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 0.05 0.21 0.13 0.00 -1.03 0.00 0.00 178.44 177.80 1s6l h ALA 175 N 1.79 0.86 -0.87 2.65 0.00 -0.83 -2.52 119.26 120.34 1s6l h ALA 175 Ca -0.00 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.83 1s6l h ALA 175 Cb 0.41 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1s6l h ALA 175 CO 0.03 0.60 0.43 1.03 0.00 0.00 0.00 179.25 181.33 1s6l h SER 176 N 0.98 0.47 -0.47 0.00 0.87 -0.05 0.57 113.55 115.92 1s6l h SER 176 Ca 0.20 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1s6l h SER 176 Cb 0.40 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1s6l h SER 176 CO 0.01 0.15 0.04 0.29 -0.53 0.00 0.00 176.83 176.79 1s6l n LYS 177 N -4.92 3.80 -0.49 2.24 4.01 -1.03 -3.89 118.16 117.88 1s6l n LYS 177 Ca 0.19 -2.39 0.07 0.00 -0.51 0.00 0.00 58.31 55.66 1s6l n LYS 177 Cb 0.51 -2.07 0.14 0.00 -0.51 0.00 0.00 35.03 33.09 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 0.37 0.00 -2.67 2.13 8.25 0.20 -5.06 115.22 118.44 1s6l n HIS 178 Ca 0.23 -1.03 -0.14 0.00 -0.26 0.00 0.00 57.72 56.53 1s6l n HIS 178 Cb 1.01 -0.18 0.06 0.00 1.12 0.00 0.00 29.99 32.01 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 -0.94 0.37 0.00 -0.41 6.02 -1.16 -4.59 117.38 116.67 1s6l n GLN 179 Ca 0.14 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1s6l n GLN 179 Cb 0.72 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.66 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 2.90 1.74 1.08 0.00 -1.26 -5.04 105.19 104.97 1s6l n GLY 180 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 0.34 0.99 4.77 -1.26 -4.84 117.00 117.00 1s6l n LEU 181 Ca 0.00 -0.53 0.22 0.00 -0.03 0.00 0.00 56.01 55.68 1s6l n LEU 181 Cb 0.00 -0.52 1.20 0.00 -2.33 0.00 0.00 43.42 41.77 1s6l n LEU 181 CO 0.00 -1.94 1.18 -0.33 -1.33 0.00 0.00 177.39 174.98 1s6l h GLU 182 N 0.00 0.00 0.00 3.23 5.08 -1.98 -3.45 114.58 117.46 1s6l h GLU 182 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1s6l h GLU 182 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1s6l h GLU 182 CO 0.13 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 1s6l n GLY 183 N -1.10 4.22 3.18 -3.84 0.00 -1.26 -4.91 105.19 101.48 1s6l n GLY 183 Ca -0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1s6l n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6l s LEU 184 N 0.00 1.08 0.01 0.99 1.02 -1.26 -1.51 118.68 119.01 1s6l s LEU 184 Ca 0.00 0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1s6l s LEU 184 Cb 0.00 1.00 -0.01 0.00 0.02 0.00 0.00 46.19 47.20 1s6l s LEU 184 CO 0.00 -0.31 0.06 0.00 0.02 0.00 0.00 176.35 176.12 1s6l s ALA 185 N -0.88 -0.13 0.28 4.21 0.00 -1.24 -4.97 121.76 119.04 1s6l s ALA 185 Ca -0.10 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1s6l s ALA 185 Cb -0.05 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1s6l s ALA 185 CO 0.02 -0.19 0.34 0.42 0.00 0.00 0.00 175.76 176.35 1s6l s ILE 186 N -1.47 4.52 0.20 0.00 -1.09 -1.26 0.11 121.20 122.21 1s6l s ILE 186 Ca -0.15 -1.15 -0.23 0.00 -2.23 0.00 0.00 60.65 56.89 1s6l s ILE 186 Cb -0.08 -3.54 0.05 0.00 -1.58 0.00 0.00 42.46 37.30 1s6l s ILE 186 CO 0.00 -0.27 0.74 0.68 -1.23 0.00 0.00 174.94 174.86 1s6l s VAL 187 N -2.11 0.00 -0.13 2.92 -7.23 0.18 -4.92 120.40 109.11 1s6l s VAL 187 Ca 0.37 -0.56 -0.20 0.00 -1.81 0.00 0.00 61.98 59.78 1s6l s VAL 187 Cb -0.08 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.21 1s6l s VAL 187 CO 0.28 0.00 0.58 -0.44 -0.31 0.00 0.00 175.10 175.22 1s6l s SER 188 N -2.83 6.77 0.64 4.85 0.01 -1.26 0.18 113.70 122.06 1s6l s SER 188 Ca 0.08 0.93 0.18 0.00 1.31 0.00 0.00 55.95 58.44 1s6l s SER 188 Cb -0.03 -2.34 0.87 0.00 0.21 0.00 0.00 66.02 64.73 1s6l s SER 188 CO -0.01 -0.11 1.46 -0.37 0.41 0.00 0.00 173.24 174.62 1s6l h VAL 189 N 4.86 0.05 -0.21 3.43 -1.51 -1.87 1.26 116.25 122.27 1s6l h VAL 189 Ca -0.38 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 64.95 1s6l h VAL 189 Cb 1.17 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1s6l h VAL 189 CO 0.76 0.00 -0.41 -0.74 -1.23 0.00 0.00 177.57 175.94 1s6l h HIS 190 N 0.00 0.81 0.00 5.19 -0.00 -1.91 -2.51 115.15 116.73 1s6l h HIS 190 Ca 0.11 -0.30 -0.04 0.00 -0.00 0.00 0.00 60.37 60.15 1s6l h HIS 190 Cb 1.63 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.89 1s6l h HIS 190 CO 0.00 1.06 -0.38 0.93 -0.00 0.00 0.00 177.93 179.54 1s6l h GLU 191 N 0.33 0.00 0.00 5.26 5.08 0.10 -3.23 114.58 122.12 1s6l h GLU 191 Ca 0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1s6l h GLU 191 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1s6l h GLU 191 CO 0.09 0.14 -0.36 0.00 -1.00 0.00 0.00 179.01 177.88 1s6l h ALA 192 N 1.84 0.93 0.00 3.43 0.00 -0.61 -2.14 119.26 122.71 1s6l h ALA 192 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 192 Cb 1.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1s6l h ALA 192 CO 0.02 0.45 -0.61 0.35 0.00 0.00 0.00 179.25 179.46 1s6l h PHE 193 N 0.00 0.00 0.00 0.00 3.57 -1.47 -1.65 116.94 117.39 1s6l h PHE 193 Ca -0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 1s6l h PHE 193 Cb 0.97 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1s6l h PHE 193 CO 0.00 0.48 -1.12 0.78 -2.23 0.00 0.00 178.31 176.22 1s6l h GLY 194 N 3.56 0.00 1.79 2.40 0.00 -1.57 0.34 103.07 109.60 1s6l h GLY 194 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.11 1s6l h GLY 194 CO 0.06 0.00 -0.99 1.41 0.00 0.00 0.00 176.54 177.02 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 4.07 -1.43 -0.94 115.31 120.12 1s6l h LEU 195 Ca -0.08 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.66 1s6l h LEU 195 Cb 1.76 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.47 1s6l h LEU 195 CO 0.11 0.84 -1.27 1.23 -1.08 0.00 0.00 178.44 178.26 1s6l h GLY 196 N 3.25 0.00 1.78 0.83 0.00 -1.31 -3.26 103.07 104.35 1s6l h GLY 196 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1s6l h GLY 196 CO 0.10 0.00 -0.71 -1.61 0.00 0.00 0.00 176.54 174.32 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 -0.00 -0.33 -3.26 115.11 116.32 1s6l h GLN 197 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.46 1s6l h GLN 197 Cb 1.79 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.27 1s6l h GLN 197 CO 0.09 0.47 -0.24 1.05 0.00 0.00 0.00 178.83 180.20 1s6l h GLU 198 N 0.00 0.00 -0.89 1.69 4.11 -1.26 -3.23 114.58 115.00 1s6l h GLU 198 Ca -0.04 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.61 1s6l h GLU 198 Cb 1.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.63 1s6l h GLU 198 CO 0.06 0.24 0.60 0.74 0.07 0.00 0.00 179.01 180.72 1s6l h PHE 199 N 0.00 0.40 0.00 2.06 -1.00 -1.60 0.25 116.94 117.04 1s6l h PHE 199 Ca -0.00 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1s6l h PHE 199 Cb 1.02 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.46 1s6l h PHE 199 CO 0.00 0.10 -0.10 -0.97 -1.61 0.00 0.00 178.31 175.73 1s6l h ASN 200 N 0.29 0.00 -0.47 2.17 -0.73 -1.78 -3.33 115.58 111.74 1s6l h ASN 200 Ca 0.45 -0.59 0.14 0.00 1.87 0.00 0.00 56.30 58.17 1s6l h ASN 200 Cb 1.29 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.87 1s6l h ASN 200 CO -0.13 0.85 0.35 -0.09 -0.37 0.00 0.00 177.43 178.04 1s6l h ARG 201 N -1.00 0.00 -0.15 6.67 2.43 -1.52 0.64 114.38 121.46 1s6l h ARG 201 Ca -0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1s6l h ARG 201 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1s6l h ARG 201 CO -0.01 0.00 0.10 0.45 -1.51 0.00 0.00 179.97 179.00 1s6l h HIS 202 N 0.00 0.07 -0.54 2.20 3.86 -0.63 -1.73 115.15 118.38 1s6l h HIS 202 Ca 0.22 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1s6l h HIS 202 Cb 0.92 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 1s6l h HIS 202 CO 0.00 0.04 -0.03 -0.07 0.86 0.00 0.00 177.93 178.73 1s6l h LEU 203 N 0.07 0.96 -1.42 2.43 4.07 -1.01 -2.84 115.31 117.58 1s6l h LEU 203 Ca 0.06 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.71 1s6l h LEU 203 Cb 0.17 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1s6l h LEU 203 CO -0.01 1.05 0.39 -0.07 -1.08 0.00 0.00 178.44 178.73 1s6l h LEU 204 N 0.85 0.68 -3.88 1.67 4.07 -1.40 -1.84 115.31 115.46 1s6l h LEU 204 Ca 0.15 -0.02 -0.57 0.00 0.08 0.00 0.00 57.88 57.52 1s6l h LEU 204 Cb 0.58 -0.17 -0.27 0.00 1.08 0.00 0.00 40.66 41.88 1s6l h LEU 204 CO 0.03 0.49 0.73 0.00 -1.08 0.00 0.00 178.44 178.62 1s6l n GLN 205 N -4.45 2.40 -1.77 1.13 1.13 -1.08 -5.00 117.38 109.75 1s6l n GLN 205 Ca 0.06 -2.92 -0.37 0.00 -1.94 0.00 0.00 57.00 51.84 1s6l n GLN 205 Cb 0.04 -2.14 0.06 0.00 0.11 0.00 0.00 30.24 28.31 1s6l n GLN 205 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1s6l s THR 206 N -3.93 2.17 -0.06 5.09 -4.23 -0.69 -5.02 115.64 108.97 1s6l s THR 206 Ca 0.57 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 1s6l s THR 206 Cb 0.46 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1s6l s THR 206 CO 0.03 -0.02 0.10 0.00 -0.54 0.00 0.00 174.62 174.18 1s6l s MET 207 N -3.41 -0.03 -0.14 3.99 0.23 -1.26 -5.11 119.30 113.56 1s6l s MET 207 Ca 0.81 0.44 -0.09 0.00 -1.03 0.00 0.00 55.69 55.82 1s6l s MET 207 Cb -0.35 -0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 32.49 1s6l s MET 207 CO 0.39 -0.31 0.16 0.45 -2.03 0.00 0.00 175.02 173.68 1s6l s SER 208 N 2.14 6.36 0.00 -1.18 0.15 -1.26 -4.76 113.70 115.14 1s6l s SER 208 Ca 0.03 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1s6l s SER 208 Cb -0.12 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1s6l s SER 208 CO -0.04 0.30 0.00 -1.20 1.20 0.00 0.00 173.24 173.50 1s6l n SER 209 N 2.62 0.00 -1.34 5.45 7.64 -1.26 -5.04 113.62 121.69 1s6l n SER 209 Ca -0.18 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.68 1s6l n SER 209 Cb 0.54 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1s6l n SER 209 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1s6l n ARG 210 N -2.46 0.31 0.03 1.43 0.00 -1.26 -5.03 116.66 109.69 1s6l n ARG 210 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.85 57.25 1s6l n ARG 210 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.85 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 -0.35 0.00 0.00 5.15 -1.04 -1.26 -5.35 114.28 111.43 1s6l n THR 211 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1s6l n THR 211 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62