#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6l s ASP 22 N 0.00 0.37 0.39 0.00 -4.77 -1.26 -5.14 116.67 106.27 1s6l s ASP 22 Ca 0.00 -2.33 0.04 0.00 -3.30 0.00 0.00 52.55 46.96 1s6l s ASP 22 Cb 0.00 0.56 -0.01 0.00 -1.09 0.00 0.00 42.92 42.37 1s6l s ASP 22 CO 0.00 -0.15 0.14 0.00 0.70 0.00 0.00 175.17 175.87 1s6l n LEU 23 N 3.14 0.00 -4.29 2.11 -0.00 -1.26 -5.18 117.00 111.53 1s6l n LEU 23 Ca 0.22 -3.01 -0.17 0.00 -0.00 0.00 0.00 56.01 53.05 1s6l n LEU 23 Cb 0.50 1.01 -0.09 0.00 -0.00 0.00 0.00 43.42 44.84 1s6l n LEU 23 CO 0.05 -0.47 -0.19 -0.76 -0.00 0.00 0.00 177.39 176.02 1s6l s LEU 24 N 0.00 1.55 -0.27 1.47 1.43 -1.26 -5.09 118.68 116.51 1s6l s LEU 24 Ca 0.20 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.45 1s6l s LEU 24 Cb 0.01 0.32 -0.07 0.00 0.03 0.00 0.00 46.19 46.49 1s6l s LEU 24 CO 0.14 -0.91 2.24 1.33 0.23 0.00 0.00 176.35 179.38 1s6l n VAL 25 N -0.50 0.28 0.31 -1.59 0.24 -1.26 -4.81 118.33 110.99 1s6l n VAL 25 Ca 0.03 -0.44 0.18 0.00 -2.04 0.00 0.00 64.34 62.07 1s6l n VAL 25 Cb 0.65 -2.37 0.94 0.00 -1.47 0.00 0.00 33.84 31.59 1s6l n VAL 25 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1s6l h PRO 26 N 14.80 0.00 0.18 7.34 0.11 -2.00 -2.77 132.00 149.66 1s6l h PRO 26 Ca -0.37 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1s6l h PRO 26 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1s6l h PRO 26 CO 0.99 0.00 -0.41 1.25 -0.21 0.00 0.00 178.00 179.62 1s6l h LEU 27 N 0.00 -1.19 -2.29 2.35 5.85 -1.99 -0.71 115.31 117.33 1s6l h LEU 27 Ca 0.02 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1s6l h LEU 27 Cb 0.46 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 1s6l h LEU 27 CO -0.00 -0.50 0.05 0.25 -0.34 0.00 0.00 178.44 177.90 1s6l h LEU 28 N -0.69 0.00 0.23 2.25 6.46 -1.89 0.97 115.31 122.65 1s6l h LEU 28 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1s6l h LEU 28 Cb 0.69 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1s6l h LEU 28 CO -0.20 0.00 -0.11 -0.09 -0.62 0.00 0.00 178.44 177.41 1s6l h ARG 29 N 0.00 -0.30 0.00 1.25 1.12 -1.25 0.83 114.38 116.03 1s6l h ARG 29 Ca 0.02 0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.76 1s6l h ARG 29 Cb 0.12 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.13 1s6l h ARG 29 CO -0.00 0.01 -0.73 1.49 -3.11 0.00 0.00 179.97 177.63 1s6l h GLU 30 N -0.63 0.00 0.10 0.20 4.22 -0.81 -3.18 114.58 114.48 1s6l h GLU 30 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1s6l h GLU 30 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s6l h GLU 30 CO 0.05 0.73 -0.05 1.25 -2.18 0.00 0.00 179.01 178.82 1s6l h LEU 31 N 0.00 -0.11 -2.01 1.64 6.46 0.11 -3.05 115.31 118.34 1s6l h LEU 31 Ca -0.01 -0.42 0.12 0.00 -0.12 0.00 0.00 57.88 57.46 1s6l h LEU 31 Cb 1.39 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.33 1s6l h LEU 31 CO 0.09 0.39 0.41 0.00 -0.62 0.00 0.00 178.44 178.72 1s6l h ALA 32 N 0.13 2.15 0.00 1.25 0.00 0.62 0.90 119.26 124.31 1s6l h ALA 32 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s6l h ALA 32 Cb 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s6l h ALA 32 CO 0.02 -0.63 -0.07 -0.22 0.00 0.00 0.00 179.25 178.36 1s6l h LYS 33 N 0.00 0.00 -5.73 0.00 3.11 -1.51 -3.47 116.57 108.98 1s6l h LYS 33 Ca 0.20 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.68 1s6l h LYS 33 Cb 1.02 0.00 0.16 0.00 -1.00 0.00 0.00 32.23 32.41 1s6l h LYS 33 CO -0.00 0.07 -0.73 0.41 -2.81 0.00 0.00 179.45 176.39 1s6l n GLY 34 N -0.21 -0.44 3.12 5.01 0.00 0.31 -5.02 105.19 107.96 1s6l n GLY 34 Ca -0.00 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.77 0.69 -0.46 1.61 1.81 -1.26 -5.08 118.95 110.49 1s6l s ARG 35 Ca 0.25 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 53.07 1s6l s ARG 35 Cb -0.11 -0.58 -0.11 0.00 -0.45 0.00 0.00 34.95 33.70 1s6l s ARG 35 CO 0.73 0.12 2.32 -2.30 -0.68 0.00 0.00 175.30 175.49 1s6l n PRO 36 N 1.34 1.03 -3.87 3.54 -0.02 -1.26 -4.88 135.00 130.87 1s6l n PRO 36 Ca -0.22 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1s6l n PRO 36 Cb 0.54 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 1s6l n PRO 36 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1s6l s VAL 37 N 8.94 3.17 0.19 -1.45 0.11 -1.26 -5.08 120.40 125.04 1s6l s VAL 37 Ca 1.09 -1.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1s6l s VAL 37 Cb -0.67 -2.82 0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1s6l s VAL 37 CO 0.41 -0.12 0.26 -1.54 -3.33 0.00 0.00 175.10 170.79 1s6l n SER 38 N 4.67 0.16 0.09 3.54 3.41 -1.26 -2.82 113.62 121.40 1s6l n SER 38 Ca -0.13 -1.18 -0.15 0.00 -0.26 0.00 0.00 58.87 57.15 1s6l n SER 38 Cb 0.44 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.33 0.00 4.33 0.11 -1.97 -1.09 114.38 116.09 1s6l h ARG 39 Ca -0.09 -0.46 -0.04 0.00 0.10 0.00 0.00 59.98 59.50 1s6l h ARG 39 Cb 0.27 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1s6l h ARG 39 CO 0.07 1.16 -0.20 1.79 0.10 0.00 0.00 179.97 182.90 1s6l h THR 40 N 0.14 0.80 0.14 0.08 1.35 -1.96 1.56 112.91 115.02 1s6l h THR 40 Ca -0.11 -0.79 -0.30 0.00 -0.55 0.00 0.00 66.41 64.66 1s6l h THR 40 Cb 1.78 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1s6l h THR 40 CO 0.18 0.20 -1.51 0.74 -0.25 0.00 0.00 175.52 174.88 1s6l h THR 41 N 0.00 1.01 -0.48 6.82 2.02 -1.93 0.99 112.91 121.34 1s6l h THR 41 Ca -0.00 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.69 1s6l h THR 41 Cb 0.46 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1s6l h THR 41 CO 0.03 0.76 0.13 0.25 0.37 0.00 0.00 175.52 177.06 1s6l h LEU 42 N -0.16 0.67 -0.11 2.58 5.85 -0.86 1.90 115.31 125.17 1s6l h LEU 42 Ca -0.31 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.15 1s6l h LEU 42 Cb 1.87 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.74 1s6l h LEU 42 CO 0.10 0.65 -0.55 0.00 -0.34 0.00 0.00 178.44 178.30 1s6l h ALA 43 N 1.44 0.22 -0.05 1.25 0.00 0.22 0.80 119.26 123.13 1s6l h ALA 43 Ca 0.16 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1s6l h ALA 43 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s6l h ALA 43 CO -0.01 0.43 -0.40 0.78 0.00 0.00 0.00 179.25 180.06 1s6l h GLY 44 N 0.19 0.10 0.70 0.00 0.00 0.19 0.35 103.07 104.60 1s6l h GLY 44 Ca -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1s6l h GLY 44 CO 0.11 0.08 -0.73 -2.22 0.00 0.00 0.00 176.54 173.79 1s6l h ILE 45 N 0.08 1.49 0.00 2.60 2.04 0.30 -3.16 117.51 120.86 1s6l h ILE 45 Ca 0.01 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1s6l h ILE 45 Cb 0.74 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1s6l h ILE 45 CO 0.06 0.68 0.00 0.18 0.00 0.00 0.00 178.15 179.07 1s6l n LEU 46 N -4.17 0.01 -1.75 1.44 4.32 0.27 -4.84 117.00 112.29 1s6l n LEU 46 Ca -0.13 0.50 -0.21 0.00 -0.02 0.00 0.00 56.01 56.16 1s6l n LEU 46 Cb 0.77 -0.50 -0.08 0.00 -1.62 0.00 0.00 43.42 41.99 1s6l n LEU 46 CO 0.48 -0.10 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.67 1s6l n ASP 47 N -1.51 -5.60 -4.62 -1.43 2.03 0.10 -4.95 116.55 100.57 1s6l n ASP 47 Ca 0.06 0.42 -0.34 0.00 0.52 0.00 0.00 54.79 55.45 1s6l n ASP 47 Cb 0.28 -4.89 -0.10 0.00 -0.72 0.00 0.00 41.12 35.69 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 -2.83 3.11 0.34 -0.67 0.52 0.02 -4.99 118.94 114.45 1s6l s TRP 48 Ca 0.00 0.05 -0.26 0.00 0.02 0.00 0.00 56.10 55.91 1s6l s TRP 48 Cb 0.00 -1.84 -0.13 0.00 -1.15 0.00 0.00 33.47 30.34 1s6l s TRP 48 CO 0.00 0.31 0.81 -2.30 0.02 0.00 0.00 176.95 175.79 1s6l n PRO 49 N 2.60 0.95 0.23 4.98 -0.02 -1.26 -4.45 135.00 138.03 1s6l n PRO 49 Ca -0.18 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1s6l n PRO 49 Cb 0.53 -1.68 0.58 0.00 -0.02 0.00 0.00 33.50 32.91 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 1.42 1.21 0.06 3.55 0.00 -1.90 0.11 119.26 123.71 1s6l h ALA 50 Ca -0.39 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1s6l h ALA 50 Cb 1.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1s6l h ALA 50 CO 0.57 -0.21 -1.06 0.93 0.00 0.00 0.00 179.25 179.47 1s6l h GLU 51 N 0.00 0.28 -0.53 0.00 5.08 -1.98 -1.43 114.58 116.01 1s6l h GLU 51 Ca 0.00 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 1s6l h GLU 51 Cb 0.53 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1s6l h GLU 51 CO 0.00 1.12 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.95 1s6l h ARG 52 N 0.12 0.99 -0.16 2.33 9.65 -1.29 0.32 114.38 126.34 1s6l h ARG 52 Ca -0.09 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 1s6l h ARG 52 Cb 1.74 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.24 1s6l h ARG 52 CO 0.17 1.03 0.07 0.28 2.80 0.00 0.00 179.97 184.33 1s6l h VAL 53 N 0.86 1.13 -0.10 0.20 2.07 -1.54 -0.71 116.25 118.16 1s6l h VAL 53 Ca 0.14 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1s6l h VAL 53 Cb 0.64 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1s6l h VAL 53 CO 0.04 0.13 -0.23 0.00 0.02 0.00 0.00 177.57 177.53 1s6l h ALA 54 N 0.93 -0.23 -0.65 1.67 0.00 -0.87 0.83 119.26 120.95 1s6l h ALA 54 Ca 0.05 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1s6l h ALA 54 Cb 0.13 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1s6l h ALA 54 CO -0.01 -0.70 0.27 0.00 0.00 0.00 0.00 179.25 178.81 1s6l h ALA 55 N 0.62 0.86 -0.01 0.00 0.00 -0.16 1.00 119.26 121.58 1s6l h ALA 55 Ca 0.09 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1s6l h ALA 55 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1s6l h ALA 55 CO -0.28 -0.15 -0.57 0.28 0.00 0.00 0.00 179.25 178.53 1s6l h VAL 56 N 0.47 1.41 -0.49 0.00 2.07 -0.28 -3.07 116.25 116.36 1s6l h VAL 56 Ca 0.33 -1.96 -0.13 0.00 0.82 0.00 0.00 66.70 65.75 1s6l h VAL 56 Cb 0.39 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1s6l h VAL 56 CO -0.30 0.56 -0.20 -0.07 0.02 0.00 0.00 177.57 177.58 1s6l h LEU 57 N 0.02 1.02 -0.56 2.57 3.38 0.25 -2.94 115.31 119.04 1s6l h LEU 57 Ca -0.01 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1s6l h LEU 57 Cb 1.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1s6l h LEU 57 CO 0.08 1.18 0.31 -0.33 0.09 0.00 0.00 178.44 179.77 1s6l h GLU 58 N 0.86 0.58 0.00 1.13 5.08 -0.80 0.47 114.58 121.91 1s6l h GLU 58 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s6l h GLU 58 Cb 0.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1s6l h GLU 58 CO 0.06 0.39 0.00 0.94 -1.00 0.00 0.00 179.01 179.40 1s6l n GLN 59 N -4.82 0.19 -3.27 2.33 7.27 -1.16 -3.48 117.38 114.43 1s6l n GLN 59 Ca 0.05 0.50 -0.33 0.00 0.07 0.00 0.00 57.00 57.29 1s6l n GLN 59 Cb 0.12 -1.92 -0.05 0.00 2.41 0.00 0.00 30.24 30.80 1s6l n GLN 59 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s6l n ALA 60 N -1.79 4.49 1.49 1.69 0.00 0.15 -4.79 120.51 121.75 1s6l n ALA 60 Ca 0.01 -4.78 0.14 0.00 0.00 0.00 0.00 53.44 48.81 1s6l n ALA 60 Cb 0.17 -1.48 0.66 0.00 0.00 0.00 0.00 19.45 18.81 1s6l n ALA 60 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6l n THR 61 N 1.07 0.00 0.03 0.00 -2.24 -1.23 -3.44 114.28 108.48 1s6l n THR 61 Ca 0.28 -0.06 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 1s6l n THR 61 Cb 0.38 -0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 1s6l n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s6l n SER 62 N -0.91 0.31 -4.63 3.42 3.41 -1.26 -4.96 113.62 108.99 1s6l n SER 62 Ca 0.16 0.12 -0.43 0.00 -0.26 0.00 0.00 58.87 58.46 1s6l n SER 62 Cb 0.26 1.44 -0.00 0.00 -0.26 0.00 0.00 64.21 65.64 1s6l n SER 62 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1s6l n THR 63 N -2.41 2.15 -2.63 6.66 -1.04 -1.22 -4.91 114.28 110.87 1s6l n THR 63 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.06 1s6l n THR 63 Cb 0.56 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.81 1s6l n THR 63 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s6l s GLU 64 N -1.81 4.44 0.30 -2.82 -6.30 -1.26 -5.05 118.70 106.20 1s6l s GLU 64 Ca 0.59 1.48 0.07 0.00 -2.50 0.00 0.00 54.97 54.60 1s6l s GLU 64 Cb -0.61 -3.51 -0.02 0.00 0.00 0.00 0.00 34.13 29.98 1s6l s GLU 64 CO 0.60 -0.28 0.34 0.71 0.02 0.00 0.00 175.26 176.65 1s6l s TYR 65 N 1.77 3.12 -0.12 5.30 2.02 -1.26 -3.08 117.35 125.10 1s6l s TYR 65 Ca 0.51 -0.18 -0.08 0.00 -0.37 0.00 0.00 57.07 56.95 1s6l s TYR 65 Cb -0.21 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1s6l s TYR 65 CO 0.22 0.24 0.30 0.34 -1.57 0.00 0.00 175.55 175.08 1s6l s ASP 66 N -4.02 -0.34 0.20 2.29 -1.08 -0.72 -4.18 116.67 108.82 1s6l s ASP 66 Ca 0.39 0.63 0.00 0.00 -0.52 0.00 0.00 52.55 53.06 1s6l s ASP 66 Cb -0.08 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 1s6l s ASP 66 CO 0.28 -0.15 0.00 1.17 0.52 0.00 0.00 175.17 176.99 1s6l n LYS 67 N 3.74 0.00 0.01 4.34 3.00 -1.26 -2.45 118.16 125.54 1s6l n LYS 67 Ca -0.20 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.22 1s6l n LYS 67 Cb 0.55 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.49 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 5.74 0.53 0.00 3.14 9.92 -1.26 -4.94 116.55 129.68 1s6l n ASP 68 Ca 0.00 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1s6l n ASP 68 Cb 0.00 1.30 0.00 0.00 -0.64 0.00 0.00 41.12 41.78 1s6l n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6l n GLY 69 N 1.37 0.94 3.93 0.44 0.00 -1.03 -5.15 105.19 105.69 1s6l n GLY 69 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.21 6.30 -0.37 1.61 -0.87 -1.09 -4.73 114.94 114.59 1s6l s ASN 70 Ca 0.00 0.57 -0.29 0.00 -1.57 0.00 0.00 52.86 51.57 1s6l s ASN 70 Cb 0.00 -2.09 0.02 0.00 -0.02 0.00 0.00 41.25 39.16 1s6l s ASN 70 CO 0.00 -0.35 1.10 -0.63 -2.57 0.00 0.00 177.10 174.65 1s6l s ILE 71 N -2.39 4.40 0.00 0.60 1.09 -1.13 -1.75 121.20 122.02 1s6l s ILE 71 Ca 0.42 1.57 0.00 0.00 -1.10 0.00 0.00 60.65 61.54 1s6l s ILE 71 Cb -0.10 -4.47 0.00 0.00 -1.06 0.00 0.00 42.46 36.84 1s6l s ILE 71 CO 0.38 -0.64 0.00 0.00 -0.10 0.00 0.00 174.94 174.57 1s6l n ILE 72 N 6.18 0.00 0.00 2.92 3.06 -1.18 -4.04 119.36 126.29 1s6l n ILE 72 Ca 0.12 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 1s6l n ILE 72 Cb 0.48 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.66 1s6l n ILE 72 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6l n GLY 73 N -0.80 0.85 3.30 4.50 0.00 -1.18 -4.76 105.19 107.11 1s6l n GLY 73 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 1s6l n GLY 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s6l n TYR 74 N 0.00 -1.43 -1.59 1.61 4.11 -1.26 -4.76 117.16 113.84 1s6l n TYR 74 Ca 0.00 -1.19 -0.30 0.00 -0.00 0.00 0.00 57.90 56.41 1s6l n TYR 74 Cb 0.00 0.58 -0.08 0.00 -0.00 0.00 0.00 39.34 39.84 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1s6l n GLY 75 N -0.59 0.88 5.06 -7.48 0.00 -1.26 -4.71 105.19 97.09 1s6l n GLY 75 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 13.88 0.00 -4.96 0.99 4.77 -1.26 -4.57 117.00 125.85 1s6l n LEU 76 Ca 0.45 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 1s6l n LEU 76 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1s6l n LEU 76 CO 0.79 0.00 -0.01 0.42 -1.33 0.00 0.00 177.39 177.26 1s6l s THR 77 N 0.00 5.24 -0.12 -5.08 -4.23 -1.26 -5.05 115.64 105.14 1s6l s THR 77 Ca 0.00 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1s6l s THR 77 Cb 0.00 -3.84 -0.25 0.00 1.34 0.00 0.00 72.50 69.75 1s6l s THR 77 CO 0.00 -0.33 0.84 -0.07 -0.54 0.00 0.00 174.62 174.52 1s6l h LEU 78 N 1.27 -0.00-10.12 4.79 3.38 -1.97 -3.47 115.31 109.20 1s6l h LEU 78 Ca -0.51 -0.91 -0.51 0.00 0.09 0.00 0.00 57.88 56.04 1s6l h LEU 78 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1s6l h LEU 78 CO 0.62 0.91 -0.33 -0.13 0.09 0.00 0.00 178.44 179.61 1s6l s ARG 79 N -2.53 3.49 0.12 1.13 0.52 -1.26 -5.04 118.95 115.38 1s6l s ARG 79 Ca -0.18 -0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 54.29 1s6l s ARG 79 Cb -0.02 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 1s6l s ARG 79 CO 0.68 0.36 1.46 -2.00 0.02 0.00 0.00 175.30 175.82 1s6l s GLU 80 N -3.65 4.28 0.25 3.54 2.12 -1.26 -4.97 118.70 119.01 1s6l s GLU 80 Ca 0.38 2.17 0.02 0.00 0.36 0.00 0.00 54.97 57.90 1s6l s GLU 80 Cb -0.10 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1s6l s GLU 80 CO 0.30 -0.51 0.15 0.25 -0.54 0.00 0.00 175.26 174.92 1s6l n THR 81 N 4.02 0.00 -0.03 -1.70 -2.24 -1.26 -5.06 114.28 108.01 1s6l n THR 81 Ca 0.12 -1.03 -0.08 0.00 -2.27 0.00 0.00 64.05 60.80 1s6l n THR 81 Cb 0.41 -0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.78 0.73 -4.60 3.42 2.88 -1.26 -4.81 113.62 108.20 1s6l n SER 82 Ca -0.03 0.34 -0.43 0.00 -1.33 0.00 0.00 58.87 57.43 1s6l n SER 82 Cb 0.29 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 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 -2.61 2.93 -0.09 0.66 1.51 -1.25 -4.61 117.35 113.88 1s6l s TYR 83 Ca -0.05 0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 56.67 1s6l s TYR 83 Cb 0.08 -4.09 -0.03 0.00 -0.11 0.00 0.00 41.96 37.80 1s6l s TYR 83 CO 0.83 -1.09 0.02 0.08 -1.11 0.00 0.00 175.55 174.28 1s6l s VAL 84 N 4.01 4.48 -0.25 0.71 1.01 -0.61 -0.39 120.40 129.35 1s6l s VAL 84 Ca 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1s6l s VAL 84 Cb -0.09 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.46 1s6l s VAL 84 CO 0.26 0.60 0.02 0.12 0.00 0.00 0.00 175.10 176.10 1s6l s PHE 85 N -0.84 1.93 -0.20 5.22 5.36 0.22 -0.15 117.98 129.52 1s6l s PHE 85 Ca 0.13 -1.59 -0.09 0.00 -0.96 0.00 0.00 56.93 54.42 1s6l s PHE 85 Cb -0.11 -1.56 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 1s6l s PHE 85 CO 0.02 -0.77 0.10 -1.21 -1.46 0.00 0.00 175.22 171.91 1s6l s GLU 86 N 1.55 4.05 -0.04 10.12 2.02 0.32 0.12 118.70 136.84 1s6l s GLU 86 Ca 0.01 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.70 1s6l s GLU 86 Cb -0.18 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 30.74 1s6l s GLU 86 CO -0.12 0.24 0.03 0.96 0.02 0.00 0.00 175.26 176.38 1s6l s ILE 87 N 0.51 0.07 0.00 -1.63 -4.36 -0.92 0.12 121.20 114.99 1s6l s ILE 87 Ca 0.05 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 1s6l s ILE 87 Cb -0.12 -0.24 0.00 0.00 1.25 0.00 0.00 42.46 43.35 1s6l s ILE 87 CO 0.00 0.17 0.00 -0.67 0.24 0.00 0.00 174.94 174.68 1s6l n ASP 88 N 4.74 0.00 -1.47 4.36 -0.08 -1.26 -0.96 116.55 121.87 1s6l n ASP 88 Ca -0.15 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.11 1s6l n ASP 88 Cb 0.50 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.98 1s6l n ASP 88 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1s6l n ASP 89 N 0.36 -0.66 -3.70 1.67 5.68 -1.26 -5.11 116.55 113.54 1s6l n ASP 89 Ca 0.00 -1.37 -0.25 0.00 -0.50 0.00 0.00 54.79 52.67 1s6l n ASP 89 Cb 0.00 0.27 -0.17 0.00 -1.14 0.00 0.00 41.12 40.08 1s6l n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1s6l s ARG 90 N 0.04 0.38 -0.13 0.11 1.81 -0.13 -5.12 118.95 115.90 1s6l s ARG 90 Ca 0.03 -0.12 -0.29 0.00 -1.72 0.00 0.00 55.73 53.63 1s6l s ARG 90 Cb 0.13 -1.61 -0.01 0.00 -0.45 0.00 0.00 34.95 33.00 1s6l s ARG 90 CO -0.04 -0.55 0.97 -0.98 -0.68 0.00 0.00 175.30 174.03 1s6l s ARG 91 N 2.00 4.38 0.34 3.54 1.04 -1.26 -2.17 118.95 126.83 1s6l s ARG 91 Ca 0.02 1.30 0.09 0.00 -1.04 0.00 0.00 55.73 56.11 1s6l s ARG 91 Cb -0.15 -3.56 -0.06 0.00 -2.04 0.00 0.00 34.95 29.14 1s6l s ARG 91 CO -0.07 -0.34 -0.06 -0.51 -0.04 0.00 0.00 175.30 174.29 1s6l s LEU 92 N 2.12 2.82 0.25 -1.89 2.01 0.32 -4.95 118.68 119.36 1s6l s LEU 92 Ca 0.46 -1.13 0.05 0.00 0.01 0.00 0.00 54.13 53.51 1s6l s LEU 92 Cb -0.18 -1.12 -0.05 0.00 0.01 0.00 0.00 46.19 44.85 1s6l s LEU 92 CO 0.16 -0.22 -0.02 -0.31 1.01 0.00 0.00 176.35 176.96 1s6l s TYR 93 N -2.58 1.69 0.24 0.29 1.51 -1.26 0.72 117.35 117.96 1s6l s TYR 93 Ca 0.33 -0.84 -0.13 0.00 -1.01 0.00 0.00 57.07 55.43 1s6l s TYR 93 Cb 0.02 -0.98 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1s6l s TYR 93 CO 0.18 0.07 0.47 0.00 -1.11 0.00 0.00 175.55 175.16 1s6l s ALA 94 N -3.27 -0.24 -0.83 3.71 0.00 0.48 -4.36 121.76 117.25 1s6l s ALA 94 Ca 0.28 -0.86 0.21 0.00 0.00 0.00 0.00 51.96 51.60 1s6l s ALA 94 Cb 0.05 1.06 -0.20 0.00 0.00 0.00 0.00 23.12 24.02 1s6l s ALA 94 CO 0.10 -0.84 0.86 0.91 0.00 0.00 0.00 175.76 176.78 1s6l n TRP 95 N -0.37 0.01 -3.68 0.00 7.02 -1.26 -3.92 117.44 115.24 1s6l n TRP 95 Ca -0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.36 1s6l n TRP 95 Cb 0.62 -0.11 -0.04 0.00 -2.42 0.00 0.00 31.31 29.36 1s6l n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s6l h ALA 97 N 2.29 1.72 0.00 0.00 0.00 -1.86 -1.95 119.26 119.46 1s6l h ALA 97 Ca -0.32 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1s6l h ALA 97 Cb 1.26 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 97 CO 0.43 -0.55 -1.03 1.25 0.00 0.00 0.00 179.25 179.35 1s6l h LEU 98 N 0.00 0.00 -1.36 0.00 5.85 -1.88 -3.37 115.31 114.55 1s6l h LEU 98 Ca 0.09 -0.47 0.34 0.00 0.84 0.00 0.00 57.88 58.68 1s6l h LEU 98 Cb 0.99 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1s6l h LEU 98 CO -0.00 1.33 1.18 0.44 -0.34 0.00 0.00 178.44 181.06 1s6l h ASP 99 N -1.00 0.00 -0.26 1.25 5.19 -1.72 0.73 116.42 120.61 1s6l h ASP 99 Ca -0.27 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.15 1s6l h ASP 99 Cb 1.15 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1s6l h ASP 99 CO -0.16 0.00 0.17 0.71 -3.12 0.00 0.00 179.24 176.84 1s6l h THR 100 N 0.00 1.04 -3.84 0.35 1.35 -1.70 -3.45 112.91 106.66 1s6l h THR 100 Ca 0.56 -0.11 -0.10 0.00 -0.55 0.00 0.00 66.41 66.21 1s6l h THR 100 Cb 2.92 0.70 -0.11 0.00 -1.73 0.00 0.00 68.15 69.93 1s6l h THR 100 CO -0.01 0.06 -0.26 -0.22 -0.25 0.00 0.00 175.52 174.84 1s6l s LEU 101 N -9.30 0.70 -0.02 3.87 2.96 0.25 -4.81 118.68 112.33 1s6l s LEU 101 Ca -0.07 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 1s6l s LEU 101 Cb 0.17 1.37 -0.01 0.00 0.50 0.00 0.00 46.19 48.22 1s6l s LEU 101 CO 0.71 -0.98 -0.02 0.00 -1.32 0.00 0.00 176.35 174.74 1s6l n ILE 102 N -0.29 0.10 -3.15 6.68 0.13 -1.26 -4.84 119.36 116.74 1s6l n ILE 102 Ca -0.05 -0.04 0.04 0.00 -1.10 0.00 0.00 62.75 61.61 1s6l n ILE 102 Cb 0.63 -0.68 -0.00 0.00 -0.84 0.00 0.00 39.64 38.75 1s6l n ILE 102 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1s6l s PHE 103 N -2.04 -1.54 0.30 9.51 5.36 -1.26 -5.02 117.98 123.30 1s6l s PHE 103 Ca -0.02 1.08 0.22 0.00 -0.96 0.00 0.00 56.93 57.25 1s6l s PHE 103 Cb 0.01 0.33 1.06 0.00 -0.34 0.00 0.00 43.02 44.07 1s6l s PHE 103 CO 0.04 -0.88 1.91 -1.35 -1.46 0.00 0.00 175.22 173.48 1s6l h PRO 104 N 7.90 0.00 0.00 10.12 0.11 -1.93 -2.65 132.00 145.55 1s6l h PRO 104 Ca -0.08 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 1s6l h PRO 104 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1s6l h PRO 104 CO 0.12 0.24 -0.33 0.00 -0.21 0.00 0.00 178.00 177.82 1s6l h ALA 105 N 1.76 0.82 0.17 -0.75 0.00 -1.80 -3.28 119.26 116.19 1s6l h ALA 105 Ca -0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1s6l h ALA 105 Cb 0.59 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1s6l h ALA 105 CO 0.03 0.41 -1.37 1.25 0.00 0.00 0.00 179.25 179.57 1s6l h LEU 106 N 0.00 0.57 -0.40 0.00 6.46 -1.82 -3.36 115.31 116.76 1s6l h LEU 106 Ca -0.00 -0.91 0.07 0.00 -0.12 0.00 0.00 57.88 56.91 1s6l h LEU 106 Cb 1.16 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.84 1s6l h LEU 106 CO 0.04 1.63 0.01 -0.29 -0.62 0.00 0.00 178.44 179.22 1s6l h ILE 107 N -0.12 0.72 0.00 4.05 6.09 -1.58 -3.47 117.51 123.20 1s6l h ILE 107 Ca -0.27 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1s6l h ILE 107 Cb 1.91 0.58 0.00 0.00 0.47 0.00 0.00 36.82 39.79 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 -1.27 0.98 3.61 8.18 0.00 -1.24 -5.08 105.19 110.37 1s6l n GLY 108 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.63 1.76 0.48 1.61 3.00 -1.26 -5.03 118.95 118.87 1s6l s ARG 109 Ca 0.00 -1.40 -0.19 0.00 -1.00 0.00 0.00 55.73 53.13 1s6l s ARG 109 Cb 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 34.95 35.35 1s6l s ARG 109 CO 0.00 -0.75 0.99 0.99 0.00 0.00 0.00 175.30 176.53 1s6l s THR 110 N -3.51 4.24 -0.19 4.11 2.01 -1.26 -4.17 115.64 116.87 1s6l s THR 110 Ca 0.23 1.28 -0.04 0.00 0.31 0.00 0.00 61.69 63.47 1s6l s THR 110 Cb -0.01 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1s6l s THR 110 CO 0.12 -0.41 0.06 0.00 -0.69 0.00 0.00 174.62 173.70 1s6l s ALA 111 N -2.27 0.78 -0.24 7.40 0.00 0.42 -4.15 121.76 123.71 1s6l s ALA 111 Ca 0.63 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.75 1s6l s ALA 111 Cb -0.12 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1s6l s ALA 111 CO 0.21 -1.19 0.95 1.03 0.00 0.00 0.00 175.76 176.76 1s6l s ARG 112 N 1.97 4.21 -0.17 0.00 0.52 0.33 0.15 118.95 125.95 1s6l s ARG 112 Ca 0.00 1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 56.33 1s6l s ARG 112 Cb -0.17 -3.65 -0.02 0.00 0.52 0.00 0.00 34.95 31.63 1s6l s ARG 112 CO -0.09 -0.60 -0.04 0.08 0.02 0.00 0.00 175.30 174.67 1s6l s VAL 113 N 3.06 3.71 -0.06 3.52 1.01 0.27 0.12 120.40 132.03 1s6l s VAL 113 Ca 0.40 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1s6l s VAL 113 Cb -0.15 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1s6l s VAL 113 CO 0.07 0.47 -0.18 -0.44 0.00 0.00 0.00 175.10 175.02 1s6l s SER 114 N 0.65 3.65 0.24 3.32 0.01 0.79 0.20 113.70 122.57 1s6l s SER 114 Ca -0.03 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.91 1s6l s SER 114 Cb -0.15 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 1s6l s SER 114 CO 0.02 0.29 0.20 -0.44 0.41 0.00 0.00 173.24 173.73 1s6l s SER 115 N -0.40 0.59 -0.04 2.44 0.01 0.34 -1.58 113.70 115.06 1s6l s SER 115 Ca 0.04 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.84 1s6l s SER 115 Cb -0.12 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.58 1s6l s SER 115 CO 0.02 -0.94 -0.06 -1.38 0.41 0.00 0.00 173.24 171.29 1s6l s HIS 116 N -3.91 0.84 0.01 2.43 -3.43 -1.26 0.10 115.29 110.07 1s6l s HIS 116 Ca 0.38 -0.25 -0.33 0.00 -0.80 0.00 0.00 55.06 54.07 1s6l s HIS 116 Cb 0.05 -0.71 -0.11 0.00 -1.43 0.00 0.00 32.58 30.38 1s6l s HIS 116 CO 0.17 -0.19 1.84 0.00 -2.00 0.00 0.00 174.74 174.56 1s6l n ALA 118 N 6.13 1.49 0.01 0.00 0.00 -0.84 -0.90 120.51 126.40 1s6l n ALA 118 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1s6l n ALA 118 Cb 0.33 -1.17 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 -1.49 3.00 0.22 0.00 0.00 -1.26 -4.76 120.51 116.23 1s6l n ALA 119 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1s6l n ALA 119 Cb 0.12 0.43 0.34 0.00 0.00 0.00 0.00 19.45 20.34 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 0.28 -3.76 0.00 2.02 -1.93 -3.47 112.91 106.05 1s6l h THR 120 Ca 0.00 -1.11 -0.37 0.00 0.77 0.00 0.00 66.41 65.70 1s6l h THR 120 Cb 0.81 1.89 0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1s6l h THR 120 CO 0.00 0.14 -0.53 0.61 0.37 0.00 0.00 175.52 176.10 1s6l n GLY 121 N 0.63 -0.40 3.93 2.16 0.00 -0.07 -4.94 105.19 106.49 1s6l n GLY 121 Ca 0.02 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.08 4.11 -0.42 4.61 0.00 -1.26 -4.80 121.76 120.92 1s6l s ALA 122 Ca 0.21 -1.60 -0.21 0.00 0.00 0.00 0.00 51.96 50.36 1s6l s ALA 122 Cb -0.09 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1s6l s ALA 122 CO 0.26 -0.07 0.64 -1.25 0.00 0.00 0.00 175.76 175.35 1s6l s PRO 123 N -4.12 3.38 0.03 0.00 0.05 -1.26 -1.15 135.00 131.93 1s6l s PRO 123 Ca 0.45 -0.26 0.02 0.00 0.05 0.00 0.00 61.00 61.26 1s6l s PRO 123 Cb -0.07 -3.91 -0.04 0.00 0.05 0.00 0.00 34.50 30.52 1s6l s PRO 123 CO 0.29 -0.94 0.01 0.14 0.05 0.00 0.00 177.00 176.55 1s6l s VAL 124 N 2.79 4.18 -0.05 -0.36 -7.23 0.28 -4.47 120.40 115.55 1s6l s VAL 124 Ca 0.23 -0.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 1s6l s VAL 124 Cb -0.14 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.90 1s6l s VAL 124 CO 0.18 0.29 0.17 -0.94 -0.31 0.00 0.00 175.10 174.49 1s6l s SER 125 N -1.81 -0.13 0.09 4.85 1.04 0.27 0.13 113.70 118.14 1s6l s SER 125 Ca 0.22 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.90 1s6l s SER 125 Cb -0.12 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 1s6l s SER 125 CO 0.13 -0.14 -0.10 -0.76 0.98 0.00 0.00 173.24 173.35 1s6l s LEU 126 N -0.29 2.37 -0.30 2.42 1.43 0.53 -1.13 118.68 123.71 1s6l s LEU 126 Ca -0.04 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1s6l s LEU 126 Cb -0.03 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.90 1s6l s LEU 126 CO 0.01 -0.23 0.06 -0.89 0.23 0.00 0.00 176.35 175.52 1s6l s THR 127 N -2.19 3.58 -0.39 5.49 2.01 -0.81 0.96 115.64 124.30 1s6l s THR 127 Ca 0.03 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 60.86 1s6l s THR 127 Cb -0.04 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1s6l s THR 127 CO 0.00 -0.02 0.41 -0.69 -0.69 0.00 0.00 174.62 173.63 1s6l s VAL 128 N 1.40 5.12 0.27 3.82 1.01 0.39 -2.25 120.40 130.15 1s6l s VAL 128 Ca -0.01 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.85 1s6l s VAL 128 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1s6l s VAL 128 CO 0.01 -0.30 0.14 -0.44 0.00 0.00 0.00 175.10 174.51 1s6l s SER 129 N 1.78 5.17 0.43 3.32 0.01 0.24 0.16 113.70 124.80 1s6l s SER 129 Ca 0.12 -0.42 0.29 0.00 1.31 0.00 0.00 55.95 57.25 1s6l s SER 129 Cb -0.17 -1.16 1.57 0.00 0.21 0.00 0.00 66.02 66.46 1s6l s SER 129 CO 0.13 -0.07 1.89 -0.65 0.41 0.00 0.00 173.24 174.95 1s6l h PRO 130 N 1.59 0.00 0.00 12.44 0.11 -1.72 -2.86 132.00 141.56 1s6l h PRO 130 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 1s6l h PRO 130 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1s6l h PRO 130 CO 0.61 0.00 -1.36 -1.13 -0.21 0.00 0.00 178.00 175.90 1s6l n SER 131 N -2.52 3.59 0.00 -2.05 3.41 -1.26 -4.16 113.62 110.63 1s6l n SER 131 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1s6l n SER 131 Cb 0.05 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1s6l n SER 131 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1s6l n GLU 132 N -2.08 -0.30 -2.99 4.33 0.28 -1.08 -5.14 120.64 113.67 1s6l n GLU 132 Ca -0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.71 1s6l n GLU 132 Cb 0.55 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.43 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 3.63 0.00 3.84 -4.36 -1.26 0.80 121.20 120.85 1s6l s ILE 133 Ca 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1s6l s ILE 133 Cb 0.00 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.39 1s6l s ILE 133 CO 0.00 -0.20 0.59 1.67 0.24 0.00 0.00 174.94 177.24 1s6l n GLN 134 N -2.05 0.00 -2.80 0.37 7.27 -0.96 -4.87 117.38 114.34 1s6l n GLN 134 Ca 0.03 -0.23 -0.00 0.00 0.07 0.00 0.00 57.00 56.86 1s6l n GLN 134 Cb 0.58 -0.12 0.01 0.00 2.41 0.00 0.00 30.24 33.13 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 -3.94 -0.34 1.69 0.00 -1.26 -4.87 121.76 113.03 1s6l s ALA 135 Ca 0.00 0.74 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 1s6l s ALA 135 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1s6l s ALA 135 CO 0.00 -2.44 0.24 0.08 0.00 0.00 0.00 175.76 173.64 1s6l s VAL 136 N 1.52 5.23 -0.11 0.00 1.01 -1.26 -1.92 120.40 124.87 1s6l s VAL 136 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 1s6l s VAL 136 Cb 0.05 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1s6l s VAL 136 CO -0.11 -0.03 0.24 -0.70 0.00 0.00 0.00 175.10 174.50 1s6l s GLU 137 N 1.71 0.17 0.58 2.72 2.12 -0.28 -3.68 118.70 122.03 1s6l s GLU 137 Ca 0.06 0.62 -0.15 0.00 0.36 0.00 0.00 54.97 55.86 1s6l s GLU 137 Cb -0.18 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.07 1s6l s GLU 137 CO 0.10 -0.22 1.03 -1.25 -0.54 0.00 0.00 175.26 174.38 1s6l s PRO 138 N 1.80 3.54 0.92 4.30 0.04 -1.26 0.97 135.00 145.31 1s6l s PRO 138 Ca -0.04 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.94 1s6l s PRO 138 Cb -0.11 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1s6l s PRO 138 CO -0.08 -0.62 1.12 0.00 0.04 0.00 0.00 177.00 177.46 1s6l s ALA 139 N -2.65 1.40 -0.24 8.56 0.00 -1.24 -3.03 121.76 124.56 1s6l s ALA 139 Ca 0.60 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1s6l s ALA 139 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1s6l s ALA 139 CO 0.38 -2.69 0.00 0.41 0.00 0.00 0.00 175.76 173.87 1s6l n GLY 140 N -0.05 0.39 3.70 0.00 0.00 -1.26 -4.88 105.19 103.09 1s6l n GLY 140 Ca 0.10 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N -1.57 1.67 0.10 1.61 0.00 -1.17 -3.58 119.30 116.36 1s6l s MET 141 Ca 0.00 1.68 0.05 0.00 0.00 0.00 0.00 55.69 57.42 1s6l s MET 141 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 34.83 33.01 1s6l s MET 141 CO 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 175.02 172.71 1s6l s ALA 142 N -2.26 1.34 0.13 3.16 0.00 0.37 -3.88 121.76 120.62 1s6l s ALA 142 Ca 0.71 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.60 1s6l s ALA 142 Cb -0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1s6l s ALA 142 CO 0.51 0.13 -0.09 0.08 0.00 0.00 0.00 175.76 176.39 1s6l s VAL 143 N -1.73 3.33 -0.02 0.00 1.01 0.51 0.27 120.40 123.77 1s6l s VAL 143 Ca 0.04 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 60.69 1s6l s VAL 143 Cb -0.07 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1s6l s VAL 143 CO 0.02 0.03 -0.25 -0.94 0.00 0.00 0.00 175.10 173.96 1s6l s SER 144 N -2.45 2.96 0.30 3.32 1.04 0.33 0.26 113.70 119.45 1s6l s SER 144 Ca 0.23 -0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.24 1s6l s SER 144 Cb -0.10 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 1s6l s SER 144 CO 0.14 0.30 0.22 -0.76 0.98 0.00 0.00 173.24 174.13 1s6l s LEU 145 N -0.54 1.60 0.12 2.42 1.02 0.58 -2.54 118.68 121.34 1s6l s LEU 145 Ca 0.08 -1.64 0.07 0.00 0.02 0.00 0.00 54.13 52.67 1s6l s LEU 145 Cb -0.10 0.44 -0.04 0.00 0.02 0.00 0.00 46.19 46.51 1s6l s LEU 145 CO -0.00 -0.98 -0.09 -0.69 0.02 0.00 0.00 176.35 174.61 1s6l s VAL 146 N -3.63 3.38 -0.29 -1.59 1.01 -1.26 -0.28 120.40 117.73 1s6l s VAL 146 Ca 0.39 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1s6l s VAL 146 Cb 0.04 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1s6l s VAL 146 CO 0.22 0.05 2.24 -0.11 0.00 0.00 0.00 175.10 177.50 1s6l n LEU 147 N 0.49 2.80 -4.74 3.92 7.94 -1.24 -4.83 117.00 121.34 1s6l n LEU 147 Ca -0.13 0.20 -0.41 0.00 -1.11 0.00 0.00 56.01 54.56 1s6l n LEU 147 Cb 0.53 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1s6l n LEU 147 CO 0.34 -0.78 0.94 -2.16 -1.11 0.00 0.00 177.39 174.62 1s6l s PRO 148 N 6.54 4.43 -0.05 1.96 0.04 -1.26 -4.95 135.00 141.71 1s6l s PRO 148 Ca 1.04 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.98 1s6l s PRO 148 Cb -0.49 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 30.88 1s6l s PRO 148 CO 0.39 -0.16 0.25 -0.65 0.04 0.00 0.00 177.00 176.87 1s6l s GLN 149 N -0.50 0.48 -0.26 4.56 -0.21 -1.26 -5.04 119.66 117.43 1s6l s GLN 149 Ca 0.54 -0.00 0.09 0.00 0.02 0.00 0.00 55.36 56.01 1s6l s GLN 149 Cb -0.36 0.21 0.67 0.00 1.00 0.00 0.00 33.01 34.54 1s6l s GLN 149 CO 0.40 -0.11 1.65 0.39 -2.12 0.00 0.00 175.29 175.51 1s6l n GLU 150 N 2.01 3.68 -0.00 2.91 1.02 -1.26 -4.03 120.64 124.96 1s6l n GLU 150 Ca -0.18 -2.70 0.03 0.00 -0.02 0.00 0.00 57.16 54.29 1s6l n GLU 150 Cb 0.57 -2.13 -0.05 0.00 -0.02 0.00 0.00 31.44 29.81 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s6l n ALA 151 N 0.08 2.27 0.03 0.62 0.00 -1.26 -4.78 120.51 117.48 1s6l n ALA 151 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1s6l n ALA 151 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 20.42 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l h ALA 152 N 0.64 -0.76 -2.82 0.00 0.00 -1.99 -3.49 119.26 110.84 1s6l h ALA 152 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1s6l h ALA 152 Cb 0.31 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s6l h ALA 152 CO 0.00 -0.75 0.13 -3.47 0.00 0.00 0.00 179.25 175.16 1s6l n ASP 153 N -2.28 -1.42 -1.50 0.00 -0.08 -1.26 -5.05 116.55 104.96 1s6l n ASP 153 Ca -0.01 -2.10 -0.11 0.00 -1.51 0.00 0.00 54.79 51.06 1s6l n ASP 153 Cb 0.03 2.39 0.18 0.00 2.34 0.00 0.00 41.12 46.07 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1s6l n VAL 154 N -0.36 2.75 0.04 5.18 0.24 -1.26 -4.63 118.33 120.29 1s6l n VAL 154 Ca -0.05 -2.68 -0.01 0.00 -2.04 0.00 0.00 64.34 59.56 1s6l n VAL 154 Cb 0.39 -0.44 -0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1s6l n VAL 154 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1s6l n ARG 155 N -1.10 0.03 0.01 7.34 1.74 -1.26 -5.08 116.66 118.33 1s6l n ARG 155 Ca 0.41 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1s6l n ARG 155 Cb 1.15 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 1s6l n ARG 155 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s6l n GLN 156 N -3.51 0.00 -2.07 5.56 10.64 -1.26 -5.11 117.38 121.63 1s6l n GLN 156 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1s6l n GLN 156 Cb 0.06 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1s6l n GLN 156 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1s6l n SER 157 N -2.33 -8.75 -2.76 2.61 7.64 -1.26 -4.58 113.62 104.20 1s6l n SER 157 Ca 0.00 1.44 -0.20 0.00 1.01 0.00 0.00 58.87 61.12 1s6l n SER 157 Cb 0.00 -4.88 0.03 0.00 -1.01 0.00 0.00 64.21 58.35 1s6l n SER 157 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1s6l n PHE 158 N 1.78 -1.80 0.08 1.43 3.72 -1.26 -4.90 117.46 116.51 1s6l n PHE 158 Ca 0.00 0.48 -0.13 0.00 -0.05 0.00 0.00 57.45 57.75 1s6l n PHE 158 Cb 0.00 -4.20 -0.13 0.00 -0.94 0.00 0.00 39.48 34.21 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 -0.53 2.07 -3.66 0.00 -0.00 -1.22 -4.71 115.22 107.18 1s6l n HIS 161 Ca 0.21 -1.21 -0.39 0.00 -0.00 0.00 0.00 57.72 56.34 1s6l n HIS 161 Cb 0.22 -0.66 -0.12 0.00 -0.00 0.00 0.00 29.99 29.44 1s6l n HIS 161 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s6l s VAL 162 N -2.42 4.48 0.31 3.57 1.01 -1.24 -4.60 120.40 121.51 1s6l s VAL 162 Ca 0.42 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1s6l s VAL 162 Cb 0.34 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.31 1s6l s VAL 162 CO 0.09 -0.02 0.05 -1.00 0.00 0.00 0.00 175.10 174.23 1s6l s HIS 163 N 1.58 1.93 0.12 5.22 3.76 -1.05 -2.93 115.29 123.91 1s6l s HIS 163 Ca 0.03 -0.95 0.06 0.00 -0.15 0.00 0.00 55.06 54.06 1s6l s HIS 163 Cb -0.18 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1s6l s HIS 163 CO 0.06 0.01 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.87 1s6l s PHE 164 N -3.30 2.88 -0.02 1.40 0.40 -1.26 0.12 117.98 118.19 1s6l s PHE 164 Ca 0.36 -0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1s6l s PHE 164 Cb 0.08 -1.46 -0.00 0.00 0.51 0.00 0.00 43.02 42.15 1s6l s PHE 164 CO 0.15 0.48 -0.13 -0.06 0.70 0.00 0.00 175.22 176.35 1s6l s PHE 165 N -1.43 1.30 0.57 0.36 0.40 0.77 -1.98 117.98 117.98 1s6l s PHE 165 Ca 0.25 -0.31 0.39 0.00 -0.60 0.00 0.00 56.93 56.66 1s6l s PHE 165 Cb -0.11 -0.87 1.45 0.00 0.51 0.00 0.00 43.02 44.00 1s6l s PHE 165 CO 0.17 -0.09 1.57 0.00 0.70 0.00 0.00 175.22 177.57 1s6l h ALA 166 N 6.11 3.33 -2.38 5.36 0.00 -1.93 1.07 119.26 130.82 1s6l h ALA 166 Ca -0.34 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.70 1s6l h ALA 166 Cb 1.17 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1s6l h ALA 166 CO 0.48 -1.91 0.50 0.45 0.00 0.00 0.00 179.25 178.77 1s6l s SER 167 N -4.12 -0.14 0.22 0.00 0.15 -1.26 -3.28 113.70 105.28 1s6l s SER 167 Ca -0.04 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 1s6l s SER 167 Cb 0.21 0.50 0.20 0.00 -1.71 0.00 0.00 66.02 65.23 1s6l s SER 167 CO 0.73 -0.94 1.60 0.58 1.20 0.00 0.00 173.24 176.41 1s6l h VAL 168 N 2.00 1.29 -0.21 4.45 2.07 -1.83 0.98 116.25 125.00 1s6l h VAL 168 Ca -0.25 -1.49 -0.17 0.00 0.82 0.00 0.00 66.70 65.61 1s6l h VAL 168 Cb 1.23 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1s6l h VAL 168 CO 0.27 0.48 -0.56 -0.65 0.02 0.00 0.00 177.57 177.13 1s6l h PRO 169 N 0.53 0.63 0.02 1.57 0.11 -1.95 1.12 132.00 134.03 1s6l h PRO 169 Ca 0.05 -0.41 -0.27 0.00 0.11 0.00 0.00 66.00 65.49 1s6l h PRO 169 Cb 0.85 0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.04 1s6l h PRO 169 CO 0.07 1.02 -1.05 1.15 -0.21 0.00 0.00 178.00 178.98 1s6l h THR 170 N 0.48 1.28 -0.36 -1.15 2.02 -1.93 5.46 112.91 118.73 1s6l h THR 170 Ca 0.01 -2.26 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 1s6l h THR 170 Cb 1.12 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 1s6l h THR 170 CO 0.11 0.70 0.18 0.00 0.37 0.00 0.00 175.52 176.88 1s6l h ALA 171 N 0.38 0.46 0.00 6.16 0.00 0.11 1.04 119.26 127.41 1s6l h ALA 171 Ca -0.14 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1s6l h ALA 171 Cb 1.71 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1s6l h ALA 171 CO 0.21 0.00 -0.73 0.93 0.00 0.00 0.00 179.25 179.66 1s6l h GLU 172 N 0.44 0.00 0.27 0.00 4.39 0.14 0.15 114.58 119.97 1s6l h GLU 172 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1s6l h GLU 172 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1s6l h GLU 172 CO -0.02 0.73 -0.13 0.22 -1.16 0.00 0.00 179.01 178.65 1s6l h ASP 173 N 0.00 -0.31 0.29 1.42 3.58 1.18 0.49 116.42 123.06 1s6l h ASP 173 Ca -0.01 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 1s6l h ASP 173 Cb 1.51 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 1s6l h ASP 173 CO 0.09 0.15 -0.24 -0.25 -2.88 0.00 0.00 179.24 176.12 1s6l h TRP 174 N -0.89 0.00 -0.73 0.28 2.91 0.10 -1.91 115.95 115.72 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 0.24 0.19 0.00 -1.03 0.00 0.00 178.44 177.88 1s6l h ALA 175 N 1.76 0.96 -0.79 2.65 0.00 -0.56 -2.33 119.26 120.95 1s6l h ALA 175 Ca -0.00 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1s6l h ALA 175 Cb 0.45 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1s6l h ALA 175 CO 0.03 0.67 0.35 0.77 0.00 0.00 0.00 179.25 181.07 1s6l h SER 176 N 1.10 0.36 -0.56 0.00 0.02 -0.05 0.42 113.55 114.84 1s6l h SER 176 Ca 0.23 0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1s6l h SER 176 Cb 0.36 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.90 1s6l h SER 176 CO -0.00 0.13 0.15 1.17 -1.14 0.00 0.00 176.83 177.14 1s6l n LYS 177 N -4.97 3.56 -1.11 3.45 4.81 -1.02 -3.96 118.16 118.93 1s6l n LYS 177 Ca 0.16 -2.51 0.05 0.00 -0.87 0.00 0.00 58.31 55.13 1s6l n LYS 177 Cb 0.44 -2.07 0.09 0.00 0.02 0.00 0.00 35.03 33.50 1s6l n LYS 177 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1s6l n HIS 178 N 0.14 0.00 -3.38 5.64 8.25 0.15 -5.07 115.22 120.94 1s6l n HIS 178 Ca 0.30 -0.82 -0.35 0.00 -0.26 0.00 0.00 57.72 56.59 1s6l n HIS 178 Cb 1.14 -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 -0.65 0.64 0.00 0.00 176.34 176.33 1s6l s GLN 179 N -1.15 3.94 0.00 -0.41 -1.52 -1.08 -4.33 119.66 115.10 1s6l s GLN 179 Ca 0.33 0.44 0.00 0.00 -1.95 0.00 0.00 55.36 54.18 1s6l s GLN 179 Cb 0.36 -2.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 1s6l s GLN 179 CO -0.12 0.46 0.00 0.41 -0.25 0.00 0.00 175.29 175.79 1s6l n GLY 180 N 0.68 1.13 3.08 3.09 0.00 -1.26 -5.01 105.19 106.89 1s6l n GLY 180 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 3.76 -2.52 0.99 4.77 -1.26 -4.06 117.00 118.68 1s6l n LEU 181 Ca 0.00 -2.69 -0.19 0.00 -0.03 0.00 0.00 56.01 53.10 1s6l n LEU 181 Cb 0.00 -1.03 -0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1s6l n LEU 181 CO 0.00 -0.44 -0.20 1.21 -1.33 0.00 0.00 177.39 176.63 1s6l n GLU 182 N 6.71 -2.27 0.00 3.23 0.00 -1.26 -3.08 120.64 123.97 1s6l n GLU 182 Ca 0.47 0.86 0.00 0.00 0.00 0.00 0.00 57.16 58.49 1s6l n GLU 182 Cb 0.36 -5.53 0.00 0.00 0.00 0.00 0.00 31.44 26.28 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 -1.01 1.97 1.57 8.31 0.00 -1.26 -3.71 105.19 111.05 1s6l n GLY 183 Ca -0.19 -0.67 0.00 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 -5.31 -3.95 0.99 7.94 -1.18 -4.34 117.00 111.15 1s6l n LEU 184 Ca 0.00 2.78 -0.10 0.00 -1.11 0.00 0.00 56.01 57.58 1s6l n LEU 184 Cb 0.00 -2.54 -0.11 0.00 0.53 0.00 0.00 43.42 41.30 1s6l n LEU 184 CO 0.00 -0.42 -0.30 0.00 -1.11 0.00 0.00 177.39 175.56 1s6l s ALA 185 N -2.05 -0.02 0.25 1.96 0.00 0.61 -4.82 121.76 117.70 1s6l s ALA 185 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1s6l s ALA 185 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1s6l s ALA 185 CO 0.00 -0.17 0.31 0.42 0.00 0.00 0.00 175.76 176.32 1s6l s ILE 186 N -1.43 4.85 0.16 0.00 -1.09 -1.26 -0.31 121.20 122.12 1s6l s ILE 186 Ca -0.16 -1.14 -0.24 0.00 -2.23 0.00 0.00 60.65 56.89 1s6l s ILE 186 Cb -0.09 -3.66 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 1s6l s ILE 186 CO -0.00 -0.32 0.71 0.68 -1.23 0.00 0.00 174.94 174.78 1s6l s VAL 187 N -2.06 0.00 -0.10 2.92 -7.23 0.14 -4.93 120.40 109.14 1s6l s VAL 187 Ca 0.35 -0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.00 1s6l s VAL 187 Cb -0.09 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 1s6l s VAL 187 CO 0.28 0.00 0.72 -0.44 -0.31 0.00 0.00 175.10 175.35 1s6l s SER 188 N -2.76 6.95 0.64 4.85 0.01 -1.26 0.19 113.70 122.32 1s6l s SER 188 Ca 0.05 1.15 0.19 0.00 1.31 0.00 0.00 55.95 58.65 1s6l s SER 188 Cb -0.02 -2.42 0.86 0.00 0.21 0.00 0.00 66.02 64.65 1s6l s SER 188 CO -0.06 -0.19 1.44 -0.37 0.41 0.00 0.00 173.24 174.46 1s6l h VAL 189 N 4.89 0.06 -0.17 3.43 -1.51 -1.88 1.40 116.25 122.48 1s6l h VAL 189 Ca -0.38 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 64.96 1s6l h VAL 189 Cb 1.18 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1s6l h VAL 189 CO 0.77 0.00 -0.41 -0.74 -1.23 0.00 0.00 177.57 175.96 1s6l h HIS 190 N 0.00 0.74 0.00 5.19 -0.00 -1.90 -2.90 115.15 116.28 1s6l h HIS 190 Ca 0.16 -0.28 -0.02 0.00 -0.00 0.00 0.00 60.37 60.22 1s6l h HIS 190 Cb 1.79 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 29.06 1s6l h HIS 190 CO 0.00 1.04 -0.31 0.93 -0.00 0.00 0.00 177.93 179.59 1s6l h GLU 191 N 0.24 0.00 0.00 5.26 5.08 0.13 -3.22 114.58 122.06 1s6l h GLU 191 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 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 0.09 -0.25 0.00 -1.00 0.00 0.00 179.01 177.94 1s6l h ALA 192 N 1.90 1.12 0.00 3.43 0.00 -0.33 -1.27 119.26 124.11 1s6l h ALA 192 Ca -0.01 -0.23 -0.11 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 18.82 1s6l h ALA 192 CO 0.01 0.31 -0.60 0.74 0.00 0.00 0.00 179.25 179.71 1s6l h PHE 193 N 0.00 0.00 0.02 0.00 -1.00 -1.52 -1.31 116.94 113.13 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 0.67 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.20 1s6l h PHE 193 CO 0.00 0.49 -1.25 0.78 -1.61 0.00 0.00 178.31 176.72 1s6l h GLY 194 N 3.54 0.05 1.89 -1.45 0.00 -1.52 0.35 103.07 105.94 1s6l h GLY 194 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 1s6l h GLY 194 CO 0.06 0.12 -1.04 -2.00 0.00 0.00 0.00 176.54 173.68 1s6l h LEU 195 N 0.01 0.00 0.00 3.11 5.85 -1.29 -1.70 115.31 121.29 1s6l h LEU 195 Ca -0.11 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 1s6l h LEU 195 Cb 1.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1s6l h LEU 195 CO 0.13 0.97 -0.72 1.23 -0.34 0.00 0.00 178.44 179.71 1s6l h GLY 196 N 3.09 0.00 1.78 3.75 0.00 -1.27 -3.18 103.07 107.24 1s6l h GLY 196 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1s6l h GLY 196 CO 0.12 0.00 -0.38 1.46 0.00 0.00 0.00 176.54 177.74 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 4.20 -0.87 -3.25 115.11 119.99 1s6l h GLN 197 Ca -0.03 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1s6l h GLN 197 Cb 1.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1s6l h GLN 197 CO 0.08 0.16 -0.30 1.49 -0.67 0.00 0.00 178.83 179.58 1s6l h GLU 198 N 0.00 0.00 -0.96 1.46 4.22 -1.30 -3.29 114.58 114.70 1s6l h GLU 198 Ca -0.01 0.00 0.19 0.00 0.08 0.00 0.00 59.36 59.62 1s6l h GLU 198 Cb 1.14 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1s6l h GLU 198 CO 0.02 0.30 0.61 0.35 -2.18 0.00 0.00 179.01 178.11 1s6l h PHE 199 N 0.00 0.81 0.23 0.92 3.57 -1.58 -0.20 116.94 120.69 1s6l h PHE 199 Ca -0.00 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 1s6l h PHE 199 Cb 1.23 -0.25 0.03 0.00 2.79 0.00 0.00 35.95 39.76 1s6l h PHE 199 CO 0.00 0.20 -1.42 -0.91 -2.23 0.00 0.00 178.31 173.95 1s6l h ASN 200 N 0.60 0.75 -0.32 0.41 4.21 -1.78 -3.29 115.58 116.16 1s6l h ASN 200 Ca 0.52 -0.93 0.07 0.00 1.21 0.00 0.00 56.30 57.18 1s6l h ASN 200 Cb 1.02 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.96 1s6l h ASN 200 CO -0.27 1.68 0.22 -0.09 -1.29 0.00 0.00 177.43 177.68 1s6l h ARG 201 N 0.05 0.10 -0.45 0.81 1.12 -1.32 -0.88 114.38 113.80 1s6l h ARG 201 Ca -0.26 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.54 1s6l h ARG 201 Cb 2.07 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 31.99 1s6l h ARG 201 CO 0.24 0.07 -0.01 1.25 -3.11 0.00 0.00 179.97 178.40 1s6l h HIS 202 N 0.11 0.80 -0.09 2.20 2.76 -1.16 -2.95 115.15 116.82 1s6l h HIS 202 Ca 0.15 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1s6l h HIS 202 Cb 0.46 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1s6l h HIS 202 CO -0.00 0.75 0.04 1.25 -1.30 0.00 0.00 177.93 178.67 1s6l h LEU 203 N 0.70 0.06 -1.93 0.26 7.12 -1.27 -1.60 115.31 118.65 1s6l h LEU 203 Ca 0.14 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.21 1s6l h LEU 203 Cb 0.45 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1s6l h LEU 203 CO 0.02 0.05 0.19 0.25 -0.13 0.00 0.00 178.44 178.82 1s6l h LEU 204 N 0.09 0.08 -0.43 2.25 6.46 -1.49 -0.51 115.31 121.75 1s6l h LEU 204 Ca 0.04 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 1s6l h LEU 204 Cb 0.01 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1s6l h LEU 204 CO -0.03 0.05 -0.78 1.56 -0.62 0.00 0.00 178.44 178.62 1s6l h GLN 205 N 0.09 0.12 -5.26 1.25 4.20 -1.21 -3.42 115.11 110.88 1s6l h GLN 205 Ca 0.13 -0.11 -0.62 0.00 0.06 0.00 0.00 58.65 58.11 1s6l h GLN 205 Cb 0.39 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.07 1s6l h GLN 205 CO -0.01 0.84 -0.18 0.99 -0.67 0.00 0.00 178.83 179.79 1s6l s THR 206 N -3.33 5.16 -0.30 -0.54 2.01 -0.20 -5.02 115.64 113.42 1s6l s THR 206 Ca -0.02 0.67 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 1s6l s THR 206 Cb 0.11 -3.73 0.17 0.00 0.01 0.00 0.00 72.50 69.06 1s6l s THR 206 CO 0.80 0.16 1.05 -0.04 -0.69 0.00 0.00 174.62 175.91 1s6l s MET 207 N 1.94 0.22 -0.01 4.92 -1.94 -1.26 -4.85 119.30 118.32 1s6l s MET 207 Ca 0.17 0.50 -0.02 0.00 -1.71 0.00 0.00 55.69 54.63 1s6l s MET 207 Cb -0.15 0.29 0.01 0.00 2.01 0.00 0.00 34.83 36.98 1s6l s MET 207 CO 0.09 -0.14 0.03 -1.13 -0.01 0.00 0.00 175.02 173.87 1s6l n SER 208 N 5.09 -8.22 -4.29 3.03 3.41 -1.26 -4.86 113.62 106.52 1s6l n SER 208 Ca -0.08 1.80 -0.44 0.00 -0.26 0.00 0.00 58.87 59.89 1s6l n SER 208 Cb 0.53 -5.16 0.00 0.00 -0.26 0.00 0.00 64.21 59.33 1s6l n SER 208 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s6l n SER 209 N 1.85 5.57 -2.08 4.04 3.41 -1.26 -4.86 113.62 120.29 1s6l n SER 209 Ca -0.05 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1s6l n SER 209 Cb 0.08 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.62 1s6l n SER 209 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1s6l n ARG 210 N 3.20 -5.11 0.05 4.33 5.12 -1.26 -4.88 116.66 118.11 1s6l n ARG 210 Ca 0.28 3.68 -0.07 0.00 -1.93 0.00 0.00 57.85 59.81 1s6l n ARG 210 Cb 0.39 -4.18 0.10 0.00 -1.16 0.00 0.00 32.46 27.61 1s6l n ARG 210 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6l h THR 211 N 4.02 1.35 0.00 0.55 1.03 -2.00 -3.56 112.91 114.30 1s6l h THR 211 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 66.41 64.56 1s6l h THR 211 Cb 0.00 1.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1s6l h THR 211 CO 0.00 0.56 0.00 -2.65 -0.01 0.00 0.00 175.52 173.42