#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 2.65 -0.58 0.00 -1.08 -1.26 -4.97 116.67 111.42 1s6l s ASP 22 Ca 0.00 1.59 -0.16 0.00 -0.52 0.00 0.00 52.55 53.46 1s6l s ASP 22 Cb 0.00 -2.25 0.13 0.00 -1.46 0.00 0.00 42.92 39.34 1s6l s ASP 22 CO 0.00 -3.17 0.57 -0.22 0.52 0.00 0.00 175.17 172.86 1s6l s LEU 23 N -6.57 6.10 0.01 -1.34 2.96 -1.26 -5.03 118.68 113.56 1s6l s LEU 23 Ca 0.65 -1.82 -0.04 0.00 -0.22 0.00 0.00 54.13 52.70 1s6l s LEU 23 Cb -0.21 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 1s6l s LEU 23 CO 0.59 -0.88 0.06 -0.22 -1.32 0.00 0.00 176.35 174.59 1s6l s LEU 24 N 1.65 1.86 -0.75 -0.68 0.20 -1.26 -5.11 118.68 114.60 1s6l s LEU 24 Ca 0.06 -0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.49 1s6l s LEU 24 Cb -0.27 0.42 0.19 0.00 -0.43 0.00 0.00 46.19 46.10 1s6l s LEU 24 CO 0.02 -0.35 0.60 -0.69 -0.29 0.00 0.00 176.35 175.65 1s6l s VAL 25 N -1.48 4.17 0.33 1.68 1.01 -1.26 -4.91 120.40 119.95 1s6l s VAL 25 Ca -0.15 -3.23 0.19 0.00 0.00 0.00 0.00 61.98 58.80 1s6l s VAL 25 Cb -0.08 -3.65 0.18 0.00 0.00 0.00 0.00 36.38 32.82 1s6l s VAL 25 CO 0.00 -0.97 1.89 1.55 0.00 0.00 0.00 175.10 177.57 1s6l h PRO 26 N 6.75 0.00 0.11 2.72 0.13 -1.99 -2.06 132.00 137.66 1s6l h PRO 26 Ca 0.06 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1s6l h PRO 26 Cb 0.91 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 1s6l h PRO 26 CO 0.77 0.28 -0.42 -0.07 -0.23 0.00 0.00 178.00 178.33 1s6l h LEU 27 N 0.00 -1.23 0.00 1.56 4.07 -1.97 0.54 115.31 118.28 1s6l h LEU 27 Ca -0.00 0.14 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 1s6l h LEU 27 Cb 0.61 0.46 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1s6l h LEU 27 CO 0.04 -0.48 -0.74 0.17 -1.08 0.00 0.00 178.44 176.35 1s6l h LEU 28 N -0.65 0.00 0.25 1.67 8.10 -1.96 -2.71 115.31 120.02 1s6l h LEU 28 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1s6l h LEU 28 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 1s6l h LEU 28 CO -0.24 0.73 -0.12 -0.09 -4.11 0.00 0.00 178.44 174.60 1s6l h ARG 29 N 0.00 -0.33 0.00 0.17 2.43 -1.01 -1.08 114.38 114.56 1s6l h ARG 29 Ca -0.01 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1s6l h ARG 29 Cb 1.56 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1s6l h ARG 29 CO 0.09 -0.06 -0.11 1.49 -1.51 0.00 0.00 179.97 179.88 1s6l h GLU 30 N -0.58 0.00 -0.38 0.20 4.57 -0.02 -2.20 114.58 116.17 1s6l h GLU 30 Ca -0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 1s6l h GLU 30 Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1s6l h GLU 30 CO 0.06 0.11 -0.25 1.25 -1.18 0.00 0.00 179.01 179.00 1s6l h LEU 31 N 0.00 0.79 -1.99 1.64 7.12 -1.06 -2.68 115.31 119.12 1s6l h LEU 31 Ca -0.00 -0.29 0.13 0.00 0.13 0.00 0.00 57.88 57.84 1s6l h LEU 31 Cb 0.37 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 1s6l h LEU 31 CO 0.01 1.00 0.44 0.00 -0.13 0.00 0.00 178.44 179.76 1s6l h ALA 32 N 1.05 2.18 0.00 1.25 0.00 -0.54 0.87 119.26 124.07 1s6l h ALA 32 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1s6l h ALA 32 Cb 0.76 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s6l h ALA 32 CO 0.06 -0.66 -0.03 0.87 0.00 0.00 0.00 179.25 179.49 1s6l h LYS 33 N 0.00 0.00 -5.18 0.00 1.79 -1.59 -3.42 116.57 108.18 1s6l h LYS 33 Ca 0.21 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.38 1s6l h LYS 33 Cb 1.08 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.87 1s6l h LYS 33 CO -0.00 0.03 -0.66 0.41 -1.08 0.00 0.00 179.45 178.15 1s6l n GLY 34 N -0.44 -0.27 3.19 3.86 0.00 0.30 -5.04 105.19 106.80 1s6l n GLY 34 Ca -0.01 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.35 0.90 -0.83 1.61 3.00 -1.26 -5.07 118.95 111.95 1s6l s ARG 35 Ca 0.09 -1.26 -0.25 0.00 0.00 0.00 0.00 55.73 54.30 1s6l s ARG 35 Cb -0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 34.95 34.33 1s6l s ARG 35 CO 0.63 0.06 2.11 -1.25 0.00 0.00 0.00 175.30 176.86 1s6l s PRO 36 N -3.20 2.23 -0.37 3.54 0.04 -1.26 -4.87 135.00 131.11 1s6l s PRO 36 Ca 0.09 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.03 1s6l s PRO 36 Cb -0.00 -4.91 0.01 0.00 0.04 0.00 0.00 34.50 29.63 1s6l s PRO 36 CO -0.01 -3.69 0.56 0.08 0.04 0.00 0.00 177.00 173.98 1s6l s VAL 37 N 11.64 4.96 0.36 -0.36 1.01 -1.26 -5.02 120.40 131.73 1s6l s VAL 37 Ca 0.78 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.02 1s6l s VAL 37 Cb -0.09 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.32 1s6l s VAL 37 CO 0.04 -0.33 0.49 -1.54 0.00 0.00 0.00 175.10 173.76 1s6l n SER 38 N 5.89 0.34 0.09 3.32 3.41 -1.26 -2.35 113.62 123.06 1s6l n SER 38 Ca -0.04 -1.36 -0.16 0.00 -0.26 0.00 0.00 58.87 57.05 1s6l n SER 38 Cb 0.48 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.39 0.00 4.33 0.11 -1.97 -0.30 114.38 116.95 1s6l h ARG 39 Ca -0.16 -0.53 -0.05 0.00 0.10 0.00 0.00 59.98 59.34 1s6l h ARG 39 Cb 0.52 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 1s6l h ARG 39 CO 0.14 1.20 -0.26 1.79 0.10 0.00 0.00 179.97 182.95 1s6l h THR 40 N 0.17 1.06 0.17 0.08 1.35 -1.96 1.58 112.91 115.36 1s6l h THR 40 Ca -0.12 -0.92 -0.31 0.00 -0.55 0.00 0.00 66.41 64.51 1s6l h THR 40 Cb 1.81 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 1s6l h THR 40 CO 0.20 0.25 -1.50 0.74 -0.25 0.00 0.00 175.52 174.95 1s6l h THR 41 N 0.00 1.07 -0.55 6.82 2.02 -1.94 1.04 112.91 121.37 1s6l h THR 41 Ca -0.00 -2.49 -0.03 0.00 0.77 0.00 0.00 66.41 64.65 1s6l h THR 41 Cb 0.49 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 69.70 1s6l h THR 41 CO 0.03 0.78 0.20 0.25 0.37 0.00 0.00 175.52 177.16 1s6l h LEU 42 N -0.09 0.73 -0.13 2.58 5.85 -0.70 1.88 115.31 125.43 1s6l h LEU 42 Ca -0.30 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 1s6l h LEU 42 Cb 1.94 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.79 1s6l h LEU 42 CO 0.14 0.67 -0.49 0.00 -0.34 0.00 0.00 178.44 178.42 1s6l h ALA 43 N 1.44 0.23 -0.05 1.25 0.00 0.23 0.15 119.26 122.51 1s6l h ALA 43 Ca 0.19 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1s6l h ALA 43 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s6l h ALA 43 CO -0.02 0.40 -0.37 0.78 0.00 0.00 0.00 179.25 180.05 1s6l h GLY 44 N 0.18 0.10 0.90 0.00 0.00 0.21 0.33 103.07 104.79 1s6l h GLY 44 Ca -0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 46.99 1s6l h GLY 44 CO 0.10 0.08 -0.99 -2.22 0.00 0.00 0.00 176.54 173.51 1s6l h ILE 45 N 0.08 1.42 0.00 2.60 2.04 0.30 -3.14 117.51 120.80 1s6l h ILE 45 Ca 0.01 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1s6l h ILE 45 Cb 0.69 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1s6l h ILE 45 CO 0.05 0.73 0.00 0.18 0.00 0.00 0.00 178.15 179.11 1s6l n LEU 46 N -4.00 0.00 -1.71 1.44 4.32 0.52 -4.84 117.00 112.73 1s6l n LEU 46 Ca -0.14 0.48 -0.21 0.00 -0.02 0.00 0.00 56.01 56.13 1s6l n LEU 46 Cb 0.89 -0.48 -0.08 0.00 -1.62 0.00 0.00 43.42 42.13 1s6l n LEU 46 CO 0.52 -0.09 -0.21 -0.67 -1.22 0.00 0.00 177.39 175.73 1s6l n ASP 47 N -1.48 -5.55 -4.77 -1.43 -0.08 0.94 -4.95 116.55 99.23 1s6l n ASP 47 Ca 0.06 0.42 -0.24 0.00 -1.51 0.00 0.00 54.79 53.53 1s6l n ASP 47 Cb 0.27 -4.82 -0.05 0.00 2.34 0.00 0.00 41.12 38.86 1s6l n ASP 47 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1s6l s TRP 48 N -2.81 3.03 0.42 -0.67 0.23 0.14 -4.99 118.94 114.29 1s6l s TRP 48 Ca 0.00 -0.11 -0.25 0.00 -2.03 0.00 0.00 56.10 53.71 1s6l s TRP 48 Cb 0.00 -1.39 -0.08 0.00 0.03 0.00 0.00 33.47 32.03 1s6l s TRP 48 CO 0.00 0.54 1.23 -1.25 0.96 0.00 0.00 176.95 178.42 1s6l s PRO 49 N -3.53 3.91 0.46 4.98 0.04 -1.26 -4.38 135.00 135.23 1s6l s PRO 49 Ca 0.31 1.97 0.22 0.00 0.04 0.00 0.00 61.00 63.54 1s6l s PRO 49 Cb -0.08 -2.63 1.19 0.00 0.04 0.00 0.00 34.50 33.01 1s6l s PRO 49 CO 0.23 -0.48 1.62 0.00 0.04 0.00 0.00 177.00 178.42 1s6l h ALA 50 N 2.48 1.21 0.09 8.56 0.00 -1.91 0.21 119.26 129.89 1s6l h ALA 50 Ca -0.49 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 1s6l h ALA 50 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s6l h ALA 50 CO 0.62 -0.21 -1.14 1.05 0.00 0.00 0.00 179.25 179.57 1s6l h GLU 51 N 0.00 0.30 -0.47 0.00 4.11 -1.98 -1.03 114.58 115.52 1s6l h GLU 51 Ca 0.00 -0.44 -0.11 0.00 0.07 0.00 0.00 59.36 58.88 1s6l h GLU 51 Cb 0.51 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1s6l h GLU 51 CO 0.00 1.17 -0.13 -0.09 0.07 0.00 0.00 179.01 180.03 1s6l h ARG 52 N 0.12 0.92 -0.19 1.06 2.43 -1.32 0.32 114.38 117.72 1s6l h ARG 52 Ca -0.11 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1s6l h ARG 52 Cb 1.84 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.33 1s6l h ARG 52 CO 0.19 1.02 0.08 0.28 -1.51 0.00 0.00 179.97 180.02 1s6l h VAL 53 N 0.76 1.15 -0.13 0.20 2.07 -1.54 -0.07 116.25 118.70 1s6l h VAL 53 Ca 0.12 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1s6l h VAL 53 Cb 0.69 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1s6l h VAL 53 CO 0.05 0.15 -0.22 0.00 0.02 0.00 0.00 177.57 177.57 1s6l h ALA 54 N 0.92 -0.19 -0.46 1.67 0.00 -0.84 0.84 119.26 121.21 1s6l h ALA 54 Ca 0.06 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1s6l h ALA 54 Cb 0.16 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1s6l h ALA 54 CO -0.01 -0.68 0.16 0.00 0.00 0.00 0.00 179.25 178.73 1s6l h ALA 55 N 0.69 0.55 -0.11 0.00 0.00 -0.15 -0.95 119.26 119.29 1s6l h ALA 55 Ca 0.10 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1s6l h ALA 55 Cb 0.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1s6l h ALA 55 CO -0.29 -0.23 -0.34 0.28 0.00 0.00 0.00 179.25 178.67 1s6l h VAL 56 N 0.33 1.27 -0.24 0.00 2.07 -0.26 -2.64 116.25 116.79 1s6l h VAL 56 Ca 0.22 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1s6l h VAL 56 Cb 0.21 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1s6l h VAL 56 CO -0.22 0.39 -0.07 0.25 0.02 0.00 0.00 177.57 177.94 1s6l h LEU 57 N 0.18 0.36 -2.57 2.57 7.12 0.20 -1.81 115.31 121.35 1s6l h LEU 57 Ca 0.02 -0.07 0.01 0.00 0.13 0.00 0.00 57.88 57.97 1s6l h LEU 57 Cb 0.69 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1s6l h LEU 57 CO 0.05 0.48 0.10 -0.08 -0.13 0.00 0.00 178.44 178.86 1s6l h GLU 58 N 0.36 0.00 0.00 1.25 4.57 -0.89 0.19 114.58 120.06 1s6l h GLU 58 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1s6l h GLU 58 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1s6l h GLU 58 CO 0.02 0.00 -0.95 0.94 -1.18 0.00 0.00 179.01 177.84 1s6l n GLN 59 N -3.33 0.46 -1.10 1.92 7.27 -0.69 -3.98 117.38 117.93 1s6l n GLN 59 Ca -0.02 0.07 -0.24 0.00 0.07 0.00 0.00 57.00 56.89 1s6l n GLN 59 Cb 0.18 -1.73 0.13 0.00 2.41 0.00 0.00 30.24 31.23 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 -2.01 5.43 0.33 1.69 0.00 0.66 -4.51 120.51 122.10 1s6l n ALA 60 Ca 0.01 -2.65 0.22 0.00 0.00 0.00 0.00 53.44 51.03 1s6l n ALA 60 Cb 0.50 -1.47 1.19 0.00 0.00 0.00 0.00 19.45 19.66 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 0.90 0.06 0.00 0.00 1.35 -1.68 -0.42 112.91 113.13 1s6l h THR 61 Ca 0.54 -0.01 -0.08 0.00 -0.55 0.00 0.00 66.41 66.32 1s6l h THR 61 Cb 2.07 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 1s6l h THR 61 CO 1.08 0.00 -1.23 -1.20 -0.25 0.00 0.00 175.52 173.92 1s6l n SER 62 N -3.17 0.82 -4.74 5.36 7.64 -1.26 -4.92 113.62 113.33 1s6l n SER 62 Ca -0.03 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 1s6l n SER 62 Cb 0.07 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1s6l n SER 62 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1s6l n THR 63 N -2.75 2.28 -2.64 0.44 -1.04 -0.17 -4.93 114.28 105.46 1s6l n THR 63 Ca -0.05 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.04 1s6l n THR 63 Cb 0.68 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.37 1s6l n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s6l s GLU 64 N -2.16 4.45 0.47 -2.82 2.02 -1.26 -4.99 118.70 114.41 1s6l s GLU 64 Ca 0.57 1.47 0.08 0.00 0.02 0.00 0.00 54.97 57.11 1s6l s GLU 64 Cb -0.49 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.25 1s6l s GLU 64 CO 0.61 -0.26 0.54 0.71 0.02 0.00 0.00 175.26 176.88 1s6l s TYR 65 N 1.72 2.29 -0.06 1.61 2.02 -1.26 -1.67 117.35 121.99 1s6l s TYR 65 Ca 0.51 -0.56 -0.20 0.00 -0.37 0.00 0.00 57.07 56.45 1s6l s TYR 65 Cb -0.21 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.18 1s6l s TYR 65 CO 0.22 -0.51 0.46 0.34 -1.57 0.00 0.00 175.55 174.49 1s6l s ASP 66 N -4.35 -0.40 0.89 2.29 2.15 -0.98 -4.85 116.67 111.42 1s6l s ASP 66 Ca 0.52 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.96 1s6l s ASP 66 Cb -0.06 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1s6l s ASP 66 CO 0.31 -0.44 0.00 1.17 -0.17 0.00 0.00 175.17 176.05 1s6l n LYS 67 N 1.49 0.00 0.03 4.34 4.81 -1.26 -1.90 118.16 125.67 1s6l n LYS 67 Ca -0.19 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.37 1s6l n LYS 67 Cb 0.56 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.75 1s6l n LYS 67 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6l n ASP 68 N 8.43 0.62 0.00 3.14 9.92 -1.26 -4.91 116.55 132.48 1s6l n ASP 68 Ca 0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.11 1s6l n ASP 68 Cb 0.00 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 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 1.41 1.73 3.92 0.44 0.00 -0.80 -5.14 105.19 106.74 1s6l n GLY 69 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.80 5.57 -0.49 1.61 0.01 -1.07 -4.72 114.94 114.06 1s6l s ASN 70 Ca 0.00 0.73 -0.29 0.00 -0.71 0.00 0.00 52.86 52.59 1s6l s ASN 70 Cb 0.00 -1.71 0.03 0.00 0.41 0.00 0.00 41.25 39.98 1s6l s ASN 70 CO 0.00 -1.08 1.15 0.27 -1.51 0.00 0.00 177.10 175.92 1s6l s ILE 71 N -3.01 4.18 0.00 0.60 -0.00 -0.99 -2.31 121.20 119.66 1s6l s ILE 71 Ca 0.54 1.19 0.00 0.00 -0.00 0.00 0.00 60.65 62.38 1s6l s ILE 71 Cb -0.11 -4.62 0.00 0.00 -0.00 0.00 0.00 42.46 37.74 1s6l s ILE 71 CO 0.45 -1.05 0.00 0.00 -0.00 0.00 0.00 174.94 174.34 1s6l n ILE 72 N 6.84 0.00 -3.18 8.37 0.00 -1.17 -4.00 119.36 126.23 1s6l n ILE 72 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 62.75 62.67 1s6l n ILE 72 Cb 0.49 -0.44 0.02 0.00 0.00 0.00 0.00 39.64 39.72 1s6l n ILE 72 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1s6l s GLY 73 N -2.34 1.92 0.02 4.50 0.00 -0.67 -5.00 107.32 105.75 1s6l s GLY 73 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1s6l s GLY 73 CO 0.00 -1.64 0.00 2.98 0.00 0.00 0.00 173.10 174.44 1s6l n TYR 74 N -1.97 -1.06 -2.71 1.90 9.36 -1.26 -4.56 117.16 116.87 1s6l n TYR 74 Ca 0.10 0.06 -0.06 0.00 3.32 0.00 0.00 57.90 61.32 1s6l n TYR 74 Cb 0.61 0.33 0.07 0.00 -0.63 0.00 0.00 39.34 39.72 1s6l n TYR 74 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s6l n GLY 75 N -1.15 1.58 3.23 2.98 0.00 -1.26 -5.00 105.19 105.57 1s6l n GLY 75 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1s6l n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6l s LEU 76 N -3.39 2.31 0.23 0.99 0.20 -1.26 -4.35 118.68 113.41 1s6l s LEU 76 Ca 0.24 -0.68 0.04 0.00 0.69 0.00 0.00 54.13 54.42 1s6l s LEU 76 Cb 0.42 -0.67 -0.03 0.00 -0.43 0.00 0.00 46.19 45.47 1s6l s LEU 76 CO -0.03 -0.04 0.35 0.42 -0.29 0.00 0.00 176.35 176.77 1s6l s THR 77 N -1.40 5.26 0.04 3.68 -4.23 -1.26 -4.99 115.64 112.74 1s6l s THR 77 Ca 0.04 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1s6l s THR 77 Cb -0.09 -3.84 -0.25 0.00 1.34 0.00 0.00 72.50 69.67 1s6l s THR 77 CO 0.03 -0.30 0.98 -0.07 -0.54 0.00 0.00 174.62 174.73 1s6l h LEU 78 N 1.33 0.19 -9.78 4.79 3.38 -2.01 -3.46 115.31 109.75 1s6l h LEU 78 Ca -0.51 -0.25 -0.62 0.00 0.09 0.00 0.00 57.88 56.59 1s6l h LEU 78 Cb 1.22 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1s6l h LEU 78 CO 0.62 1.21 -0.34 -0.60 0.09 0.00 0.00 178.44 179.42 1s6l s ARG 79 N -2.65 3.64 -0.02 1.13 3.52 -1.26 -5.04 118.95 118.27 1s6l s ARG 79 Ca -0.04 0.02 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1s6l s ARG 79 Cb 0.08 -3.07 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1s6l s ARG 79 CO 0.84 0.64 1.61 -2.00 -0.81 0.00 0.00 175.30 175.57 1s6l s GLU 80 N -1.72 4.20 0.40 5.12 2.12 -1.26 -4.99 118.70 122.58 1s6l s GLU 80 Ca 0.28 2.18 0.04 0.00 0.36 0.00 0.00 54.97 57.84 1s6l s GLU 80 Cb -0.14 -3.82 0.04 0.00 0.26 0.00 0.00 34.13 30.48 1s6l s GLU 80 CO 0.16 -0.77 0.37 0.25 -0.54 0.00 0.00 175.26 174.73 1s6l n THR 81 N 5.16 0.00 -0.04 -1.70 -2.24 -1.26 -5.06 114.28 109.14 1s6l n THR 81 Ca 0.16 -1.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.31 1s6l n THR 81 Cb 0.42 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.23 1s6l n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1s6l n SER 82 N -2.04 0.68 -4.61 3.42 7.64 -1.26 -4.83 113.62 112.62 1s6l n SER 82 Ca 0.02 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1s6l n SER 82 Cb 0.45 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.80 1s6l n SER 82 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1s6l s TYR 83 N -2.57 3.21 -0.03 1.43 1.51 -1.26 -4.68 117.35 114.96 1s6l s TYR 83 Ca -0.07 0.82 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 1s6l s TYR 83 Cb 0.07 -3.20 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1s6l s TYR 83 CO 0.82 -0.55 -0.05 0.08 -1.11 0.00 0.00 175.55 174.74 1s6l s VAL 84 N 2.94 3.79 -0.28 0.71 1.01 -0.86 -1.37 120.40 126.34 1s6l s VAL 84 Ca 0.32 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1s6l s VAL 84 Cb -0.14 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.71 1s6l s VAL 84 CO 0.12 0.49 0.01 0.12 0.00 0.00 0.00 175.10 175.84 1s6l s PHE 85 N -0.93 2.60 -0.25 5.22 5.36 0.12 -0.37 117.98 129.73 1s6l s PHE 85 Ca 0.15 -2.08 -0.17 0.00 -0.96 0.00 0.00 56.93 53.87 1s6l s PHE 85 Cb -0.11 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1s6l s PHE 85 CO 0.05 -0.84 0.48 -1.21 -1.46 0.00 0.00 175.22 172.23 1s6l s GLU 86 N 1.32 4.08 -0.04 10.12 2.02 0.44 0.15 118.70 136.79 1s6l s GLU 86 Ca 0.02 0.26 -0.01 0.00 0.02 0.00 0.00 54.97 55.26 1s6l s GLU 86 Cb -0.19 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.44 1s6l s GLU 86 CO -0.11 -0.28 0.04 0.96 0.02 0.00 0.00 175.26 175.89 1s6l s ILE 87 N 2.09 0.01 0.00 -1.63 -4.36 -1.02 0.14 121.20 116.42 1s6l s ILE 87 Ca 0.20 0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 1s6l s ILE 87 Cb -0.16 -0.21 0.00 0.00 1.25 0.00 0.00 42.46 43.34 1s6l s ILE 87 CO 0.09 0.17 0.00 0.47 0.24 0.00 0.00 174.94 175.91 1s6l n ASP 88 N 4.94 0.00 -1.98 4.36 9.92 -1.26 -0.74 116.55 131.79 1s6l n ASP 88 Ca -0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.11 1s6l n ASP 88 Cb 0.50 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.03 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 0.66 -1.19 -3.64 -2.24 -0.08 -1.26 -5.09 116.55 103.71 1s6l n ASP 89 Ca 0.00 -2.12 -0.24 0.00 -1.51 0.00 0.00 54.79 50.92 1s6l n ASP 89 Cb 0.00 0.50 -0.17 0.00 2.34 0.00 0.00 41.12 43.78 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 0.00 0.03 -1.10 -0.67 1.81 0.08 -4.94 118.95 114.17 1s6l s ARG 90 Ca 0.06 0.09 -0.22 0.00 -1.72 0.00 0.00 55.73 53.94 1s6l s ARG 90 Cb 0.26 -1.33 0.03 0.00 -0.45 0.00 0.00 34.95 33.46 1s6l s ARG 90 CO -0.08 -0.54 1.64 1.03 -0.68 0.00 0.00 175.30 176.68 1s6l s ARG 91 N 2.14 3.48 0.85 3.54 3.00 -1.26 -2.43 118.95 128.27 1s6l s ARG 91 Ca 0.03 -1.27 -0.11 0.00 0.00 0.00 0.00 55.73 54.38 1s6l s ARG 91 Cb -0.14 -5.36 0.10 0.00 0.00 0.00 0.00 34.95 29.54 1s6l s ARG 91 CO -0.07 -2.53 1.09 -0.51 0.00 0.00 0.00 175.30 173.29 1s6l s LEU 92 N 5.95 2.44 0.11 2.53 2.01 0.41 -4.83 118.68 127.29 1s6l s LEU 92 Ca 0.53 1.44 0.01 0.00 0.01 0.00 0.00 54.13 56.12 1s6l s LEU 92 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 46.19 42.21 1s6l s LEU 92 CO -0.02 -2.34 -0.01 -0.31 1.01 0.00 0.00 176.35 174.67 1s6l s TYR 93 N -3.02 0.87 0.14 0.29 2.02 -1.26 0.10 117.35 116.50 1s6l s TYR 93 Ca 0.62 -1.05 -0.06 0.00 -0.37 0.00 0.00 57.07 56.21 1s6l s TYR 93 Cb -0.17 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1s6l s TYR 93 CO 0.56 -0.30 0.19 0.00 -1.57 0.00 0.00 175.55 174.43 1s6l s ALA 94 N -3.79 0.22 0.07 3.71 0.00 -0.47 -4.28 121.76 117.22 1s6l s ALA 94 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1s6l s ALA 94 Cb 0.07 0.76 -0.26 0.00 0.00 0.00 0.00 23.12 23.69 1s6l s ALA 94 CO -0.03 -0.57 1.11 -1.49 0.00 0.00 0.00 175.76 174.78 1s6l h TRP 95 N 2.70 0.31 -3.31 0.00 6.55 -1.90 -3.35 115.95 116.95 1s6l h TRP 95 Ca -0.33 -0.23 -0.15 0.00 0.95 0.00 0.00 58.89 59.13 1s6l h TRP 95 Cb 1.21 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 29.47 1s6l h TRP 95 CO 0.42 1.20 0.01 0.00 -1.05 0.00 0.00 178.44 179.02 1s6l s ALA 97 N -2.29 2.56 0.00 0.00 0.00 0.55 -3.07 121.76 119.52 1s6l s ALA 97 Ca 0.19 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1s6l s ALA 97 Cb -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1s6l s ALA 97 CO 0.14 -1.40 0.00 -0.11 0.00 0.00 0.00 175.76 174.39 1s6l n LEU 98 N -1.54 0.00 0.28 0.00 0.00 -1.26 -3.08 117.00 111.40 1s6l n LEU 98 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 56.01 56.32 1s6l n LEU 98 Cb 0.48 0.00 0.86 0.00 0.00 0.00 0.00 43.42 44.76 1s6l n LEU 98 CO 0.48 0.00 1.15 0.44 0.00 0.00 0.00 177.39 179.46 1s6l h ASP 99 N 0.00 0.00 -0.93 1.96 5.19 -1.88 -0.17 116.42 120.59 1s6l h ASP 99 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 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 0.59 0.71 -3.12 0.00 0.00 179.24 177.42 1s6l h THR 100 N 0.00 1.25 -4.39 0.35 1.35 -1.84 -3.45 112.91 106.18 1s6l h THR 100 Ca 0.04 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.28 1s6l h THR 100 Cb 0.62 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1s6l h THR 100 CO -0.00 0.25 -0.06 0.00 -0.25 0.00 0.00 175.52 175.46 1s6l n LEU 101 N -4.37 0.00 0.00 3.87 -0.00 -0.07 -4.79 117.00 111.63 1s6l n LEU 101 Ca 0.11 -0.62 0.00 0.00 -0.00 0.00 0.00 56.01 55.50 1s6l n LEU 101 Cb 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1s6l n LEU 101 CO 0.37 -0.31 0.00 2.30 -0.00 0.00 0.00 177.39 179.75 1s6l n ILE 102 N -0.76 0.00 -3.13 1.47 -5.35 -1.26 -4.97 119.36 105.36 1s6l n ILE 102 Ca -0.01 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1s6l n ILE 102 Cb 0.13 0.00 -0.00 0.00 -1.74 0.00 0.00 39.64 38.03 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 -1.32 -1.52 0.16 4.28 -0.12 -1.26 -5.03 117.98 113.17 1s6l s PHE 103 Ca 0.00 0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 57.34 1s6l s PHE 103 Cb 0.00 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.67 1s6l s PHE 103 CO 0.00 -0.97 1.39 -1.00 -0.05 0.00 0.00 175.22 174.58 1s6l h PRO 104 N 7.12 0.39 0.00 1.99 0.13 -1.90 -1.92 132.00 137.81 1s6l h PRO 104 Ca 0.01 -0.36 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1s6l h PRO 104 Cb 1.19 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1s6l h PRO 104 CO 0.08 1.01 -0.33 0.00 -0.23 0.00 0.00 178.00 178.53 1s6l h ALA 105 N 0.88 0.85 0.15 -0.56 0.00 -1.76 -3.14 119.26 115.67 1s6l h ALA 105 Ca -0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.27 1s6l h ALA 105 Cb 1.41 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1s6l h ALA 105 CO 0.14 0.42 -1.47 1.25 0.00 0.00 0.00 179.25 179.59 1s6l h LEU 106 N 0.00 0.49 -0.41 0.00 5.85 -1.90 -3.36 115.31 115.99 1s6l h LEU 106 Ca -0.00 -0.90 0.04 0.00 0.84 0.00 0.00 57.88 57.86 1s6l h LEU 106 Cb 1.09 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1s6l h LEU 106 CO 0.04 1.66 0.17 -0.29 -0.34 0.00 0.00 178.44 179.69 1s6l h ILE 107 N -0.15 0.93 0.00 4.05 6.09 -1.42 -3.47 117.51 123.53 1s6l h ILE 107 Ca -0.30 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1s6l h ILE 107 Cb 1.88 0.54 0.00 0.00 0.47 0.00 0.00 36.82 39.71 1s6l h ILE 107 CO 0.12 0.07 0.00 0.61 -3.07 0.00 0.00 178.15 175.87 1s6l n GLY 108 N -1.23 1.14 3.61 8.18 0.00 -1.19 -5.05 105.19 110.67 1s6l n GLY 108 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1s6l n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6l s ARG 109 N -0.89 1.76 0.47 1.61 1.81 -1.26 -5.02 118.95 117.43 1s6l s ARG 109 Ca 0.00 -1.39 -0.17 0.00 -1.72 0.00 0.00 55.73 52.44 1s6l s ARG 109 Cb 0.00 0.50 -0.09 0.00 -0.45 0.00 0.00 34.95 34.91 1s6l s ARG 109 CO 0.00 -0.75 0.94 0.99 -0.68 0.00 0.00 175.30 175.80 1s6l s THR 110 N -3.51 4.52 -0.19 0.02 2.01 -1.26 -4.09 115.64 113.14 1s6l s THR 110 Ca 0.23 1.24 -0.04 0.00 0.31 0.00 0.00 61.69 63.43 1s6l s THR 110 Cb -0.02 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.88 1s6l s THR 110 CO 0.12 -0.54 0.06 0.00 -0.69 0.00 0.00 174.62 173.58 1s6l s ALA 111 N -2.44 0.73 -0.22 7.40 0.00 0.33 -4.08 121.76 123.48 1s6l s ALA 111 Ca 0.59 -0.53 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 1s6l s ALA 111 Cb -0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 1s6l s ALA 111 CO 0.25 -1.19 0.91 1.03 0.00 0.00 0.00 175.76 176.76 1s6l s ARG 112 N 1.99 4.23 -0.14 0.00 0.52 0.36 0.16 118.95 126.07 1s6l s ARG 112 Ca 0.01 1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 56.31 1s6l s ARG 112 Cb -0.17 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 1s6l s ARG 112 CO -0.09 -0.53 -0.10 0.08 0.02 0.00 0.00 175.30 174.69 1s6l s VAL 113 N 2.85 3.32 -0.04 3.52 1.01 0.30 0.17 120.40 131.53 1s6l s VAL 113 Ca 0.39 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1s6l s VAL 113 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1s6l s VAL 113 CO 0.08 0.51 -0.25 -0.44 0.00 0.00 0.00 175.10 175.00 1s6l s SER 114 N 0.41 3.10 0.24 3.32 0.01 0.50 0.11 113.70 121.40 1s6l s SER 114 Ca -0.08 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1s6l s SER 114 Cb -0.15 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 1s6l s SER 114 CO 0.04 0.29 0.21 -0.44 0.41 0.00 0.00 173.24 173.75 1s6l s SER 115 N -0.42 0.56 -0.02 2.44 0.01 0.52 -2.02 113.70 114.77 1s6l s SER 115 Ca 0.04 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.85 1s6l s SER 115 Cb -0.12 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1s6l s SER 115 CO 0.01 -0.94 -0.01 -1.38 0.41 0.00 0.00 173.24 171.33 1s6l s HIS 116 N -3.91 0.29 0.21 2.43 -3.43 -1.26 0.66 115.29 110.28 1s6l s HIS 116 Ca 0.38 -0.01 -0.32 0.00 -0.80 0.00 0.00 55.06 54.31 1s6l s HIS 116 Cb 0.05 -0.34 -0.11 0.00 -1.43 0.00 0.00 32.58 30.75 1s6l s HIS 116 CO 0.16 -0.09 1.67 0.00 -2.00 0.00 0.00 174.74 174.48 1s6l n ALA 118 N 3.71 2.08 0.00 0.00 0.00 -1.25 -0.33 120.51 124.71 1s6l n ALA 118 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1s6l n ALA 118 Cb 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.16 3.00 0.05 0.00 0.00 -1.26 -4.80 120.51 116.34 1s6l n ALA 119 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1s6l n ALA 119 Cb 0.11 0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1s6l n ALA 119 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s6l n THR 120 N -3.00 1.08 -0.95 0.00 -1.04 -1.25 -4.95 114.28 104.17 1s6l n THR 120 Ca 0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1s6l n THR 120 Cb 0.45 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1s6l n THR 120 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s6l n GLY 121 N 1.35 0.61 3.62 3.41 0.00 0.55 -4.93 105.19 109.81 1s6l n GLY 121 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1s6l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s6l n ALA 122 N 1.00 -0.95 -2.70 4.61 0.00 -1.26 -4.37 120.51 116.84 1s6l n ALA 122 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 1s6l n ALA 122 Cb 0.05 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.31 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 -4.25 3.21 -0.00 0.00 0.04 -1.26 -1.36 135.00 131.37 1s6l s PRO 123 Ca 0.67 -0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.07 1s6l s PRO 123 Cb -0.25 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 1s6l s PRO 123 CO 0.58 -1.27 0.09 0.14 0.04 0.00 0.00 177.00 176.58 1s6l s VAL 124 N 3.06 4.80 -0.14 -0.36 -7.23 0.21 -4.49 120.40 116.25 1s6l s VAL 124 Ca 0.21 -0.39 -0.15 0.00 -1.81 0.00 0.00 61.98 59.83 1s6l s VAL 124 Cb -0.16 -3.20 0.04 0.00 0.56 0.00 0.00 36.38 33.61 1s6l s VAL 124 CO 0.15 0.34 0.41 -0.94 -0.31 0.00 0.00 175.10 174.75 1s6l s SER 125 N -1.78 -0.41 0.06 4.85 1.04 0.33 0.19 113.70 117.99 1s6l s SER 125 Ca 0.24 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.43 1s6l s SER 125 Cb -0.12 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1s6l s SER 125 CO 0.15 -0.19 -0.08 -0.76 0.98 0.00 0.00 173.24 173.33 1s6l s LEU 126 N -0.01 2.34 -0.29 2.42 2.01 0.31 -0.21 118.68 125.25 1s6l s LEU 126 Ca -0.02 -0.70 -0.05 0.00 0.01 0.00 0.00 54.13 53.37 1s6l s LEU 126 Cb -0.03 -0.18 0.02 0.00 0.01 0.00 0.00 46.19 46.01 1s6l s LEU 126 CO 0.01 -0.27 0.05 -0.89 1.01 0.00 0.00 176.35 176.27 1s6l s THR 127 N -2.05 3.61 -0.40 5.49 2.01 -0.64 0.11 115.64 123.78 1s6l s THR 127 Ca -0.02 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 1s6l s THR 127 Cb -0.05 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1s6l s THR 127 CO -0.01 0.04 0.45 -0.69 -0.69 0.00 0.00 174.62 173.72 1s6l s VAL 128 N 1.42 5.07 0.44 3.82 1.01 0.42 -2.62 120.40 129.96 1s6l s VAL 128 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1s6l s VAL 128 Cb -0.18 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 1s6l s VAL 128 CO 0.01 -0.35 0.40 -0.55 0.00 0.00 0.00 175.10 174.61 1s6l s SER 129 N 1.81 5.02 0.29 3.32 0.15 0.12 0.12 113.70 124.53 1s6l s SER 129 Ca 0.14 -0.79 0.23 0.00 0.70 0.00 0.00 55.95 56.23 1s6l s SER 129 Cb -0.16 -0.44 1.08 0.00 -1.71 0.00 0.00 66.02 64.78 1s6l s SER 129 CO 0.14 -0.73 1.71 -2.65 1.20 0.00 0.00 173.24 172.91 1s6l n PRO 130 N -1.60 0.18 -0.00 5.44 -0.02 -1.24 -3.37 135.00 134.39 1s6l n PRO 130 Ca 0.04 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1s6l n PRO 130 Cb 0.62 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1s6l n PRO 130 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s6l n SER 131 N -2.28 4.97 -0.36 2.55 3.41 -1.26 -4.19 113.62 116.46 1s6l n SER 131 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1s6l n SER 131 Cb 0.16 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 -1.87 0.00 -3.55 4.33 0.28 -1.22 -5.14 120.64 113.48 1s6l n GLU 132 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 1s6l n GLU 132 Cb 0.37 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.22 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 -2.00 5.15 0.00 3.84 -4.36 -1.25 0.14 121.20 122.71 1s6l s ILE 133 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 1s6l s ILE 133 Cb 0.00 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.87 1s6l s ILE 133 CO 0.00 -0.44 0.75 0.00 0.24 0.00 0.00 174.94 175.49 1s6l n GLN 134 N -1.50 0.00 -2.79 0.37 1.13 -1.08 -4.92 117.38 108.59 1s6l n GLN 134 Ca -0.06 -0.59 -0.00 0.00 -1.94 0.00 0.00 57.00 54.41 1s6l n GLN 134 Cb 0.56 -0.32 0.01 0.00 0.11 0.00 0.00 30.24 30.61 1s6l n GLN 134 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6l s ALA 135 N 0.00 -3.97 -0.27 -1.58 0.00 -1.26 -4.91 121.76 109.77 1s6l s ALA 135 Ca 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 1s6l s ALA 135 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 1s6l s ALA 135 CO 0.00 -2.45 0.08 0.08 0.00 0.00 0.00 175.76 173.48 1s6l s VAL 136 N 1.53 4.26 -0.16 0.00 1.01 -1.26 -1.61 120.40 124.17 1s6l s VAL 136 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1s6l s VAL 136 Cb 0.05 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1s6l s VAL 136 CO -0.12 0.24 0.25 -0.70 0.00 0.00 0.00 175.10 174.77 1s6l s GLU 137 N 1.59 0.17 0.44 2.72 2.12 0.71 -2.61 118.70 123.83 1s6l s GLU 137 Ca 0.05 0.56 -0.24 0.00 0.36 0.00 0.00 54.97 55.70 1s6l s GLU 137 Cb -0.16 -0.43 -0.08 0.00 0.26 0.00 0.00 34.13 33.72 1s6l s GLU 137 CO 0.04 -0.42 1.20 -2.14 -0.54 0.00 0.00 175.26 173.39 1s6l s PRO 138 N 2.39 3.81 0.54 4.30 0.02 -1.26 0.12 135.00 144.93 1s6l s PRO 138 Ca 0.04 1.89 0.29 0.00 0.02 0.00 0.00 61.00 63.24 1s6l s PRO 138 Cb -0.13 -2.51 1.46 0.00 0.02 0.00 0.00 34.50 33.33 1s6l s PRO 138 CO -0.10 -0.54 1.92 0.00 -0.33 0.00 0.00 177.00 177.95 1s6l h ALA 139 N 2.24 2.64 -0.73 -1.55 0.00 -1.85 -0.69 119.26 119.32 1s6l h ALA 139 Ca -0.49 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 53.95 1s6l h ALA 139 Cb 1.25 0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 1s6l h ALA 139 CO 0.61 -0.92 0.23 0.41 0.00 0.00 0.00 179.25 179.58 1s6l n GLY 140 N -1.66 5.24 3.73 0.00 0.00 -1.26 -5.00 105.19 106.24 1s6l n GLY 140 Ca 0.14 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1s6l n GLY 140 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s6l s MET 141 N -3.45 1.82 0.09 1.61 0.00 -0.27 -3.70 119.30 115.40 1s6l s MET 141 Ca 0.53 1.33 0.05 0.00 0.00 0.00 0.00 55.69 57.60 1s6l s MET 141 Cb 0.45 -1.84 -0.03 0.00 0.00 0.00 0.00 34.83 33.41 1s6l s MET 141 CO 0.03 -2.00 -0.12 0.00 0.00 0.00 0.00 175.02 172.93 1s6l s ALA 142 N -2.78 1.18 0.04 3.16 0.00 0.36 -4.14 121.76 119.57 1s6l s ALA 142 Ca 0.64 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1s6l s ALA 142 Cb -0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1s6l s ALA 142 CO 0.56 0.07 -0.07 0.08 0.00 0.00 0.00 175.76 176.41 1s6l s VAL 143 N -1.85 3.62 -0.03 0.00 1.01 0.45 0.33 120.40 123.93 1s6l s VAL 143 Ca 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1s6l s VAL 143 Cb -0.07 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1s6l s VAL 143 CO 0.02 0.30 -0.15 -0.44 0.00 0.00 0.00 175.10 174.82 1s6l s SER 144 N -1.70 3.94 0.05 3.32 0.01 0.48 0.36 113.70 120.17 1s6l s SER 144 Ca 0.19 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1s6l s SER 144 Cb -0.11 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1s6l s SER 144 CO 0.10 0.32 0.13 -0.76 0.41 0.00 0.00 173.24 173.44 1s6l s LEU 145 N -0.90 4.03 -0.03 2.44 1.43 0.32 -2.90 118.68 123.07 1s6l s LEU 145 Ca 0.12 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1s6l s LEU 145 Cb -0.11 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 1s6l s LEU 145 CO 0.02 0.19 -0.19 0.54 0.23 0.00 0.00 176.35 177.14 1s6l s VAL 146 N -1.39 1.52 -0.47 -1.59 0.11 -1.26 0.11 120.40 117.43 1s6l s VAL 146 Ca 0.30 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1s6l s VAL 146 Cb -0.12 -1.29 0.22 0.00 -1.53 0.00 0.00 36.38 33.66 1s6l s VAL 146 CO 0.23 0.43 0.51 0.18 -3.33 0.00 0.00 175.10 173.12 1s6l n LEU 147 N 2.87 0.85 0.02 2.54 7.99 -1.06 -4.87 117.00 125.33 1s6l n LEU 147 Ca -0.17 -4.78 -0.19 0.00 -0.01 0.00 0.00 56.01 50.87 1s6l n LEU 147 Cb 0.53 0.27 -0.09 0.00 -0.11 0.00 0.00 43.42 44.03 1s6l n LEU 147 CO 0.24 1.99 0.16 1.55 -1.51 0.00 0.00 177.39 179.82 1s6l h PRO 148 N 4.58 0.74 0.00 3.23 0.13 -1.93 -3.46 132.00 135.29 1s6l h PRO 148 Ca 0.15 -0.71 -0.24 0.00 -0.87 0.00 0.00 66.00 64.33 1s6l h PRO 148 Cb 0.84 0.18 0.14 0.00 0.13 0.00 0.00 31.00 32.30 1s6l h PRO 148 CO 0.52 1.30 -0.12 0.00 -0.23 0.00 0.00 178.00 179.47 1s6l n GLN 149 N -3.88 -3.89 -0.01 0.86 10.64 -1.26 -4.97 117.38 114.86 1s6l n GLN 149 Ca -0.09 -0.97 0.09 0.00 -1.83 0.00 0.00 57.00 54.20 1s6l n GLN 149 Cb 0.83 -1.27 -0.15 0.00 -0.86 0.00 0.00 30.24 28.78 1s6l n GLN 149 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1s6l n GLU 150 N -4.49 0.62 0.00 2.61 4.07 -1.26 -4.92 120.64 117.27 1s6l n GLU 150 Ca 0.09 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1s6l n GLU 150 Cb 0.40 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 1s6l n GLU 150 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s6l n ALA 151 N -2.22 0.00 -1.18 4.31 0.00 -1.26 -5.16 120.51 114.99 1s6l n ALA 151 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1s6l n ALA 151 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1s6l n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6l n ALA 152 N -0.28 -1.55 0.11 0.00 0.00 -1.26 -4.97 120.51 112.56 1s6l n ALA 152 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1s6l n ALA 152 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1s6l n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6l n ASP 153 N -3.54 -0.43 0.00 0.00 2.03 -1.26 -5.07 116.55 108.28 1s6l n ASP 153 Ca 0.00 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1s6l n ASP 153 Cb 0.27 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 1s6l n ASP 153 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s6l n VAL 154 N -3.20 0.00 0.11 5.18 0.24 -1.26 -4.89 118.33 114.50 1s6l n VAL 154 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1s6l n VAL 154 Cb 0.00 -0.01 0.62 0.00 -1.47 0.00 0.00 33.84 32.97 1s6l n VAL 154 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1s6l h ARG 155 N 0.00 0.10 -2.20 7.34 2.43 -2.03 -2.99 114.38 117.04 1s6l h ARG 155 Ca 0.00 -0.01 -0.56 0.00 -0.81 0.00 0.00 59.98 58.60 1s6l h ARG 155 Cb 0.00 -0.02 -0.41 0.00 -0.42 0.00 0.00 29.97 29.11 1s6l h ARG 155 CO 0.00 0.07 -0.79 1.04 -1.51 0.00 0.00 179.97 178.78 1s6l n GLN 156 N -4.47 2.53 -3.01 0.20 3.00 -1.26 -4.95 117.38 109.42 1s6l n GLN 156 Ca 0.03 -4.43 0.03 0.00 -0.01 0.00 0.00 57.00 52.63 1s6l n GLN 156 Cb 0.29 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.46 1s6l n GLN 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1s6l s SER 157 N -3.05 -0.66 0.00 1.08 1.04 -1.13 -4.61 113.70 106.38 1s6l s SER 157 Ca 0.45 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1s6l s SER 157 Cb 0.28 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.51 1s6l s SER 157 CO -0.11 -0.10 0.00 0.49 0.98 0.00 0.00 173.24 174.50 1s6l n PHE 158 N 4.50 0.00 0.01 5.02 3.72 -1.26 -4.79 117.46 124.66 1s6l n PHE 158 Ca 0.08 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.29 1s6l n PHE 158 Cb 0.59 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.99 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 -2.00 -2.04 -0.62 0.00 8.25 -1.26 -4.74 115.22 112.81 1s6l n HIS 161 Ca 0.00 0.85 -0.28 0.00 -0.26 0.00 0.00 57.72 58.03 1s6l n HIS 161 Cb 0.00 -3.82 0.24 0.00 1.12 0.00 0.00 29.99 27.53 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 -3.45 2.03 0.37 1.59 -7.23 -1.18 -4.43 120.40 108.09 1s6l s VAL 162 Ca 0.47 0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.73 1s6l s VAL 162 Cb -0.24 -2.11 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 1s6l s VAL 162 CO 0.85 -0.01 0.05 -1.00 -0.31 0.00 0.00 175.10 174.69 1s6l s HIS 163 N -2.52 2.56 -0.11 2.82 3.76 -1.14 0.21 115.29 120.86 1s6l s HIS 163 Ca 0.68 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.11 1s6l s HIS 163 Cb -0.24 -1.65 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 1s6l s HIS 163 CO 0.64 0.40 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.67 1s6l s PHE 164 N -2.56 2.66 -0.03 1.40 0.08 -1.26 -0.39 117.98 117.87 1s6l s PHE 164 Ca 0.36 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.50 1s6l s PHE 164 Cb 0.02 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1s6l s PHE 164 CO 0.20 -0.36 -0.02 -0.06 -0.10 0.00 0.00 175.22 174.88 1s6l s PHE 165 N 0.38 3.04 0.59 0.36 0.40 0.99 -3.34 117.98 120.39 1s6l s PHE 165 Ca -0.15 0.07 0.32 0.00 -0.60 0.00 0.00 56.93 56.57 1s6l s PHE 165 Cb -0.17 -1.69 1.32 0.00 0.51 0.00 0.00 43.02 42.99 1s6l s PHE 165 CO 0.07 0.42 1.64 0.00 0.70 0.00 0.00 175.22 178.05 1s6l h ALA 166 N 4.74 2.79 -2.05 5.36 0.00 -1.91 1.04 119.26 129.24 1s6l h ALA 166 Ca -0.49 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 54.62 1s6l h ALA 166 Cb 1.18 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1s6l h ALA 166 CO 0.55 -1.38 0.62 -1.54 0.00 0.00 0.00 179.25 177.49 1s6l s SER 167 N -4.45 -0.12 0.30 0.00 1.04 -1.26 -3.36 113.70 105.86 1s6l s SER 167 Ca -0.04 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.11 1s6l s SER 167 Cb 0.17 0.37 0.46 0.00 0.10 0.00 0.00 66.02 67.13 1s6l s SER 167 CO 0.60 -0.69 1.73 0.58 0.98 0.00 0.00 173.24 176.43 1s6l h VAL 168 N 2.00 1.28 -0.16 5.02 2.07 -1.83 0.85 116.25 125.48 1s6l h VAL 168 Ca -0.26 -1.33 -0.20 0.00 0.82 0.00 0.00 66.70 65.73 1s6l h VAL 168 Cb 1.22 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1s6l h VAL 168 CO 0.27 0.41 -0.69 -0.65 0.02 0.00 0.00 177.57 176.93 1s6l h PRO 169 N 0.31 0.66 0.01 1.57 0.11 -1.95 0.98 132.00 133.69 1s6l h PRO 169 Ca 0.04 -0.49 -0.26 0.00 0.11 0.00 0.00 66.00 65.40 1s6l h PRO 169 Cb 0.71 0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.93 1s6l h PRO 169 CO 0.05 1.11 -1.02 1.15 -0.21 0.00 0.00 178.00 179.08 1s6l h THR 170 N 0.47 1.29 -0.36 -1.15 2.02 -1.92 5.28 112.91 118.54 1s6l h THR 170 Ca -0.03 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 64.90 1s6l h THR 170 Cb 1.28 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 1s6l h THR 170 CO 0.13 0.69 0.18 0.00 0.37 0.00 0.00 175.52 176.90 1s6l h ALA 171 N 0.38 0.46 0.00 6.16 0.00 0.80 0.95 119.26 128.01 1s6l h ALA 171 Ca -0.13 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1s6l h ALA 171 Cb 1.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1s6l h ALA 171 CO 0.20 0.00 -0.72 0.93 0.00 0.00 0.00 179.25 179.66 1s6l h GLU 172 N 0.44 0.00 0.28 0.00 5.08 0.11 -0.16 114.58 120.33 1s6l h GLU 172 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1s6l h GLU 172 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s6l h GLU 172 CO -0.02 0.72 -0.13 0.22 -1.00 0.00 0.00 179.01 178.80 1s6l h ASP 173 N 0.00 -0.32 0.31 1.42 1.82 1.14 -1.17 116.42 119.62 1s6l h ASP 173 Ca -0.01 -0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 1s6l h ASP 173 Cb 1.50 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 1s6l h ASP 173 CO 0.09 0.15 -0.20 -0.25 -1.61 0.00 0.00 179.24 177.42 1s6l h TRP 174 N -0.91 0.00 -0.77 0.28 2.91 0.81 -1.57 115.95 116.69 1s6l h TRP 174 Ca -0.04 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.95 1s6l h TRP 174 Cb 0.51 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1s6l h TRP 174 CO 0.05 0.20 0.36 0.00 -1.03 0.00 0.00 178.44 178.02 1s6l h ALA 175 N 1.80 1.18 -0.43 2.65 0.00 -0.90 -0.67 119.26 122.89 1s6l h ALA 175 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1s6l h ALA 175 Cb 0.41 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1s6l h ALA 175 CO 0.03 0.62 0.09 1.03 0.00 0.00 0.00 179.25 181.01 1s6l h SER 176 N 1.10 0.01 -0.50 0.00 0.87 -0.15 -0.01 113.55 114.87 1s6l h SER 176 Ca 0.26 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 1s6l h SER 176 Cb 0.13 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1s6l h SER 176 CO -0.03 0.04 0.08 1.17 -0.53 0.00 0.00 176.83 177.56 1s6l n LYS 177 N -5.10 3.72 -1.15 2.24 3.00 -1.00 -3.95 118.16 115.92 1s6l n LYS 177 Ca 0.04 -2.44 0.05 0.00 -0.00 0.00 0.00 58.31 55.95 1s6l n LYS 177 Cb 0.20 -2.07 0.09 0.00 0.00 0.00 0.00 35.03 33.24 1s6l n LYS 177 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1s6l n HIS 178 N 0.28 0.00 -3.11 5.64 -0.00 -0.05 -5.04 115.22 112.94 1s6l n HIS 178 Ca 0.26 -0.85 -0.39 0.00 0.46 0.00 0.00 57.72 57.20 1s6l n HIS 178 Cb 1.06 -0.18 -0.05 0.00 -0.12 0.00 0.00 29.99 30.69 1s6l n HIS 178 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1s6l s GLN 179 N -1.17 4.40 0.00 1.57 -0.21 -1.03 -3.73 119.66 119.49 1s6l s GLN 179 Ca 0.35 0.83 0.00 0.00 0.02 0.00 0.00 55.36 56.56 1s6l s GLN 179 Cb 0.38 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1s6l s GLN 179 CO -0.13 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 1s6l n GLY 180 N 2.74 3.09 0.00 3.09 0.00 -1.26 -5.02 105.19 107.83 1s6l n GLY 180 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.57 0.99 4.77 -1.24 -4.84 117.00 112.11 1s6l n LEU 181 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1s6l n LEU 181 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1s6l n LEU 181 CO 0.00 -0.14 1.10 1.21 -1.33 0.00 0.00 177.39 178.23 1s6l n GLU 182 N -0.28 0.22 -3.21 3.23 2.13 -1.26 -4.65 120.64 116.82 1s6l n GLU 182 Ca 0.00 -1.46 0.00 0.00 0.66 0.00 0.00 57.16 56.36 1s6l n GLU 182 Cb 0.00 -3.86 0.00 0.00 0.27 0.00 0.00 31.44 27.85 1s6l n GLU 182 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s6l n GLY 183 N 6.31 -1.12 0.39 8.31 0.00 -1.26 -4.81 105.19 113.01 1s6l n GLY 183 Ca 0.42 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.68 -3.90 0.99 7.94 0.30 -2.57 117.00 119.08 1s6l n LEU 184 Ca 0.00 0.50 -0.10 0.00 -1.11 0.00 0.00 56.01 55.29 1s6l n LEU 184 Cb 0.00 0.99 -0.10 0.00 0.53 0.00 0.00 43.42 44.84 1s6l n LEU 184 CO 0.00 0.04 -0.21 0.00 -1.11 0.00 0.00 177.39 176.11 1s6l s ALA 185 N -2.00 -0.21 0.27 1.96 0.00 -1.19 -4.98 121.76 115.62 1s6l s ALA 185 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.74 1s6l s ALA 185 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1s6l s ALA 185 CO 0.00 -0.21 0.37 0.42 0.00 0.00 0.00 175.76 176.34 1s6l s ILE 186 N -1.54 4.82 0.14 0.00 -1.09 -1.26 0.12 121.20 122.39 1s6l s ILE 186 Ca -0.14 -1.04 -0.25 0.00 -2.23 0.00 0.00 60.65 56.99 1s6l s ILE 186 Cb -0.07 -3.68 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1s6l s ILE 186 CO 0.00 -0.28 0.84 0.68 -1.23 0.00 0.00 174.94 174.95 1s6l s VAL 187 N -2.06 0.00 -0.10 2.92 -7.23 0.16 -4.91 120.40 109.17 1s6l s VAL 187 Ca 0.37 -0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 1s6l s VAL 187 Cb -0.09 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 1s6l s VAL 187 CO 0.29 0.00 0.39 -0.44 -0.31 0.00 0.00 175.10 175.03 1s6l s SER 188 N -2.79 6.63 0.51 4.85 0.01 -1.26 0.17 113.70 121.81 1s6l s SER 188 Ca 0.08 0.75 0.14 0.00 1.31 0.00 0.00 55.95 58.23 1s6l s SER 188 Cb -0.02 -2.24 0.78 0.00 0.21 0.00 0.00 66.02 64.75 1s6l s SER 188 CO -0.02 0.12 1.37 -0.37 0.41 0.00 0.00 173.24 174.76 1s6l h VAL 189 N 4.43 0.00 -0.09 3.43 -1.51 -1.90 0.83 116.25 121.44 1s6l h VAL 189 Ca -0.44 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.91 1s6l h VAL 189 Cb 1.19 0.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1s6l h VAL 189 CO 0.72 0.00 -0.42 -0.74 -1.23 0.00 0.00 177.57 175.89 1s6l h HIS 190 N 0.00 0.60 0.00 5.19 6.17 -1.91 -2.29 115.15 122.90 1s6l h HIS 190 Ca 0.00 -0.26 -0.04 0.00 0.71 0.00 0.00 60.37 60.78 1s6l h HIS 190 Cb 1.04 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.87 1s6l h HIS 190 CO 0.00 1.02 -0.39 0.93 0.71 0.00 0.00 177.93 180.20 1s6l h GLU 191 N 0.00 0.00 0.00 5.26 5.08 0.12 -3.24 114.58 121.80 1s6l h GLU 191 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1s6l h GLU 191 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1s6l h GLU 191 CO 0.09 0.14 -0.44 0.00 -1.00 0.00 0.00 179.01 177.80 1s6l h ALA 192 N 1.84 0.81 0.00 3.43 0.00 -0.65 -2.18 119.26 122.50 1s6l h ALA 192 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1s6l h ALA 192 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1s6l h ALA 192 CO 0.02 0.55 -0.73 0.35 0.00 0.00 0.00 179.25 179.44 1s6l h PHE 193 N 0.00 0.00 0.01 0.00 3.57 -1.44 -1.50 116.94 117.57 1s6l h PHE 193 Ca -0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 1s6l h PHE 193 Cb 1.17 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 1s6l h PHE 193 CO 0.00 0.59 -1.20 0.78 -2.23 0.00 0.00 178.31 176.24 1s6l h GLY 194 N 3.46 0.01 1.84 2.40 0.00 -1.57 0.20 103.07 109.42 1s6l h GLY 194 Ca -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1s6l h GLY 194 CO 0.07 0.03 -0.90 -2.00 0.00 0.00 0.00 176.54 173.75 1s6l h LEU 195 N 0.00 0.00 0.00 3.11 7.12 -1.45 -1.25 115.31 122.85 1s6l h LEU 195 Ca -0.09 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.74 1s6l h LEU 195 Cb 1.84 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.95 1s6l h LEU 195 CO 0.12 0.77 -1.12 1.23 -0.13 0.00 0.00 178.44 179.31 1s6l h GLY 196 N 3.29 0.00 1.77 3.75 0.00 -1.29 -3.23 103.07 107.36 1s6l h GLY 196 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1s6l h GLY 196 CO 0.09 0.00 -0.53 1.46 0.00 0.00 0.00 176.54 177.56 1s6l h GLN 197 N 0.00 0.00 0.00 4.80 1.08 -0.57 -3.26 115.11 117.16 1s6l h GLN 197 Ca -0.11 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1s6l h GLN 197 Cb 1.65 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.07 1s6l h GLN 197 CO 0.08 0.28 -0.30 0.93 -0.95 0.00 0.00 178.83 178.87 1s6l h GLU 198 N 0.00 0.00 -0.83 1.46 4.39 -1.30 -3.27 114.58 115.04 1s6l h GLU 198 Ca -0.02 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.89 1s6l h GLU 198 Cb 1.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1s6l h GLU 198 CO 0.04 0.30 0.57 0.74 -1.16 0.00 0.00 179.01 179.50 1s6l h PHE 199 N 0.00 0.22 0.00 4.33 -1.00 -1.59 0.75 116.94 119.65 1s6l h PHE 199 Ca -0.00 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1s6l h PHE 199 Cb 1.19 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 40.68 1s6l h PHE 199 CO 0.00 0.06 -0.10 -0.91 -1.61 0.00 0.00 178.31 175.75 1s6l h ASN 200 N 0.17 0.00 -0.44 2.17 2.35 -1.78 -3.12 115.58 114.92 1s6l h ASN 200 Ca 0.41 -0.47 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1s6l h ASN 200 Cb 1.35 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 1s6l h ASN 200 CO -0.07 0.79 0.26 -0.09 -1.65 0.00 0.00 177.43 176.67 1s6l h ARG 201 N -1.00 0.52 -0.20 0.81 2.43 -1.55 -0.21 114.38 115.17 1s6l h ARG 201 Ca -0.02 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1s6l h ARG 201 Cb 0.54 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1s6l h ARG 201 CO -0.01 0.34 0.14 0.45 -1.51 0.00 0.00 179.97 179.38 1s6l h HIS 202 N 0.53 0.14 0.01 2.20 3.86 0.34 0.85 115.15 123.08 1s6l h HIS 202 Ca 0.18 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1s6l h HIS 202 Cb 0.01 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1s6l h HIS 202 CO -0.07 0.08 -0.17 1.25 0.86 0.00 0.00 177.93 179.88 1s6l h LEU 203 N 0.14 0.13 0.19 2.43 6.46 -1.24 -3.35 115.31 120.07 1s6l h LEU 203 Ca 0.09 -0.85 -0.01 0.00 -0.12 0.00 0.00 57.88 56.99 1s6l h LEU 203 Cb 0.18 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1s6l h LEU 203 CO -0.01 0.97 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.61 1s6l h LEU 204 N -0.68 -0.22-10.06 2.25 3.38 -0.68 -3.43 115.31 105.87 1s6l h LEU 204 Ca -0.03 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.35 1s6l h LEU 204 Cb 1.00 0.06 0.14 0.00 0.09 0.00 0.00 40.66 41.95 1s6l h LEU 204 CO 0.03 -0.10 0.60 -1.10 0.09 0.00 0.00 178.44 177.96 1s6l s GLN 205 N -5.90 3.07 -0.12 1.13 -1.52 0.26 -5.02 119.66 111.56 1s6l s GLN 205 Ca -0.14 2.22 -0.04 0.00 -1.95 0.00 0.00 55.36 55.45 1s6l s GLN 205 Cb 0.05 -2.21 0.06 0.00 -0.22 0.00 0.00 33.01 30.68 1s6l s GLN 205 CO 0.64 -1.24 0.17 0.99 -0.25 0.00 0.00 175.29 175.61 1s6l s THR 206 N -1.31 -0.27 0.02 -0.19 2.01 -1.26 -4.88 115.64 109.76 1s6l s THR 206 Ca 0.73 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.84 1s6l s THR 206 Cb -0.40 -0.40 -0.33 0.00 0.01 0.00 0.00 72.50 71.38 1s6l s THR 206 CO 0.47 0.05 0.95 0.24 -0.69 0.00 0.00 174.62 175.64 1s6l h MET 207 N 8.35 0.45 -6.88 4.92 2.86 -1.96 -3.46 114.93 119.22 1s6l h MET 207 Ca -0.14 -0.76 -0.50 0.00 -2.06 0.00 0.00 59.70 56.23 1s6l h MET 207 Cb 1.13 0.28 0.03 0.00 0.06 0.00 0.00 31.60 33.10 1s6l h MET 207 CO 0.18 1.36 0.49 -1.54 1.06 0.00 0.00 176.91 178.45 1s6l s SER 208 N -7.41 6.93 -0.25 1.22 1.04 -1.26 -5.01 113.70 108.96 1s6l s SER 208 Ca -0.09 2.28 -0.16 0.00 0.48 0.00 0.00 55.95 58.45 1s6l s SER 208 Cb 0.05 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1s6l s SER 208 CO 0.91 -0.39 0.44 -0.94 0.98 0.00 0.00 173.24 174.25 1s6l s SER 209 N -1.04 6.38 0.03 7.02 1.04 -1.26 -4.77 113.70 121.10 1s6l s SER 209 Ca 0.51 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1s6l s SER 209 Cb -0.30 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1s6l s SER 209 CO 0.39 -0.20 0.00 -1.14 0.98 0.00 0.00 173.24 173.27 1s6l n ARG 210 N 5.18 -5.15 0.03 4.02 0.00 -1.26 -5.03 116.66 114.46 1s6l n ARG 210 Ca -0.06 3.74 0.00 0.00 -0.00 0.00 0.00 57.85 61.53 1s6l n ARG 210 Cb 0.50 -4.66 0.00 0.00 0.00 0.00 0.00 32.46 28.31 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 1.81 0.00 0.00 5.15 -1.04 -1.26 -5.23 114.28 113.71 1s6l n THR 211 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s6l n THR 211 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s6l n THR 211 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62