#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mhw n PRO 2 N 0.00 -0.44 -0.04 0.00 -0.04 -1.26 -4.92 135.00 128.30 1mhw n PRO 2 Ca 0.00 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1mhw n PRO 2 Cb 0.00 -2.33 0.07 0.00 -0.04 0.00 0.00 33.50 31.20 1mhw n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mhw h ARG 3 N -1.86 0.67 -4.00 0.54 2.47 -2.03 -3.45 114.38 106.72 1mhw h ARG 3 Ca -0.43 -0.35 -0.23 0.00 -1.26 0.00 0.00 59.98 57.71 1mhw h ARG 3 Cb 1.27 0.01 -0.25 0.00 -1.65 0.00 0.00 29.97 29.36 1mhw h ARG 3 CO 0.40 0.96 -0.72 -1.12 0.56 0.00 0.00 179.97 180.05 1mhw s SER 4 N -6.86 0.27 -0.01 7.04 0.01 -1.26 -4.54 113.70 108.36 1mhw s SER 4 Ca -0.08 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 1mhw s SER 4 Cb 0.12 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.39 1mhw s SER 4 CO 0.84 -0.13 0.01 -0.69 0.41 0.00 0.00 173.24 173.69 1mhw s VAL 5 N -0.72 -0.02 -0.36 3.43 1.01 0.28 -4.96 120.40 119.06 1mhw s VAL 5 Ca -0.07 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1mhw s VAL 5 Cb -0.05 -0.04 0.16 0.00 0.00 0.00 0.00 36.38 36.45 1mhw s VAL 5 CO -0.00 0.03 0.39 -0.62 0.00 0.00 0.00 175.10 174.90 1mhw s ASP 6 N 0.40 0.97 0.43 3.32 -1.08 -1.26 -0.37 116.67 119.07 1mhw s ASP 6 Ca -0.03 -1.32 0.29 0.00 -0.52 0.00 0.00 52.55 50.97 1mhw s ASP 6 Cb -0.05 0.70 1.52 0.00 -1.46 0.00 0.00 42.92 43.63 1mhw s ASP 6 CO -0.01 -0.28 1.89 -0.50 0.52 0.00 0.00 175.17 176.80 1mhw h TRP 7 N 7.30 0.00 -0.19 -5.34 4.06 -1.49 -1.82 115.95 118.47 1mhw h TRP 7 Ca 0.02 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.93 1mhw h TRP 7 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1mhw h TRP 7 CO 0.30 0.00 -0.05 0.00 -3.56 0.00 0.00 178.44 175.13 1mhw h ARG 8 N 0.00 0.28 0.00 0.49 3.08 -1.95 -1.66 114.38 114.62 1mhw h ARG 8 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1mhw h ARG 8 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1mhw h ARG 8 CO 0.00 0.35 -0.13 0.93 -1.07 0.00 0.00 179.97 180.05 1mhw h GLU 9 N 0.27 0.00 -0.47 0.04 5.08 -1.73 -3.03 114.58 114.74 1mhw h GLU 9 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1mhw h GLU 9 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1mhw h GLU 9 CO 0.01 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 1mhw n LYS 10 N -3.78 2.52 -0.83 2.33 4.76 -0.64 -4.97 118.16 117.56 1mhw n LYS 10 Ca -0.02 -2.33 0.00 0.00 -2.87 0.00 0.00 58.31 53.09 1mhw n LYS 10 Cb 0.23 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1mhw n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1mhw n GLY 11 N 1.41 0.51 0.00 0.72 0.00 -1.15 -4.96 105.19 101.73 1mhw n GLY 11 Ca 0.20 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1mhw n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mhw n TYR 12 N -2.83 0.02 -5.10 1.61 4.02 -1.13 -4.77 117.16 108.99 1mhw n TYR 12 Ca 0.00 0.01 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 1mhw n TYR 12 Cb 0.00 -0.32 -0.17 0.00 -0.02 0.00 0.00 39.34 38.83 1mhw n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1mhw s VAL 13 N -3.01 1.85 0.69 -0.72 1.01 -1.26 -3.64 120.40 115.32 1mhw s VAL 13 Ca 0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1mhw s VAL 13 Cb 0.18 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1mhw s VAL 13 CO 0.67 0.52 1.06 0.42 0.00 0.00 0.00 175.10 177.76 1mhw s THR 14 N 0.20 3.29 1.02 3.92 -4.23 -1.26 -5.00 115.64 113.58 1mhw s THR 14 Ca -0.12 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1mhw s THR 14 Cb -0.16 -3.39 0.17 0.00 1.34 0.00 0.00 72.50 70.46 1mhw s THR 14 CO 0.06 -0.49 0.89 -2.65 -0.54 0.00 0.00 174.62 171.90 1mhw n PRO 15 N -2.94 -1.15 -2.13 3.99 -0.02 -1.26 -4.91 135.00 126.58 1mhw n PRO 15 Ca 0.07 -0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 60.84 1mhw n PRO 15 Cb 0.58 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1mhw n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1mhw s VAL 16 N -2.50 3.02 0.48 -1.45 1.01 -1.26 -5.04 120.40 114.66 1mhw s VAL 16 Ca 0.65 0.81 0.08 0.00 0.00 0.00 0.00 61.98 63.52 1mhw s VAL 16 Cb -0.23 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1mhw s VAL 16 CO 0.62 0.11 0.54 -0.54 0.00 0.00 0.00 175.10 175.83 1mhw s LYS 17 N 0.10 2.50 -0.21 2.72 1.02 -1.26 -5.13 119.74 119.48 1mhw s LYS 17 Ca 0.60 -1.58 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 1mhw s LYS 17 Cb -0.39 -2.49 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 1mhw s LYS 17 CO 0.38 -0.46 0.03 1.21 -0.92 0.00 0.00 175.35 175.58 1mhw s ASN 18 N -4.35 3.12 0.47 2.83 3.84 -1.26 -5.01 114.94 114.58 1mhw s ASN 18 Ca 0.51 -0.92 0.30 0.00 0.21 0.00 0.00 52.86 52.96 1mhw s ASN 18 Cb -0.05 -0.70 1.19 0.00 -0.55 0.00 0.00 41.25 41.14 1mhw s ASN 18 CO 0.31 -0.30 1.89 0.06 -2.79 0.00 0.00 177.10 176.27 1mhw h GLN 19 N 8.19 0.00 0.00 0.43 3.07 -1.97 -3.49 115.11 121.34 1mhw h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1mhw h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1mhw h GLN 19 CO 0.36 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.69 1mhw n GLY 20 N 0.14 0.40 2.65 0.06 0.00 -1.26 -3.87 105.19 103.32 1mhw n GLY 20 Ca 0.01 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1mhw n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mhw n GLN 21 N 0.00 3.38 -3.66 1.61 1.13 -1.26 -4.78 117.38 113.80 1mhw n GLN 21 Ca 0.00 -2.83 -0.09 0.00 -1.94 0.00 0.00 57.00 52.14 1mhw n GLN 21 Cb 0.00 -3.04 -0.08 0.00 0.11 0.00 0.00 30.24 27.23 1mhw n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mhw n GLY 23 N 3.95 3.55 3.29 0.00 0.00 0.03 -4.94 105.19 111.08 1mhw n GLY 23 Ca -0.19 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 1mhw n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mhw s SER 24 N 1.93 6.22 0.00 1.61 1.04 -1.26 -3.24 113.70 119.99 1mhw s SER 24 Ca 0.67 -2.08 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1mhw s SER 24 Cb 0.27 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1mhw s SER 24 CO -0.03 -0.74 0.00 -2.67 0.98 0.00 0.00 173.24 170.78 1mhw n TRP 26 N 4.80 0.00 -0.08 5.02 4.27 -1.26 -2.48 117.44 127.71 1mhw n TRP 26 Ca -0.05 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.44 1mhw n TRP 26 Cb 0.42 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.38 1mhw n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mhw h ALA 27 N 0.00 0.64 -0.45 -1.67 0.00 -1.91 -1.21 119.26 114.66 1mhw h ALA 27 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1mhw h ALA 27 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1mhw h ALA 27 CO 0.00 0.67 -0.14 0.74 0.00 0.00 0.00 179.25 180.53 1mhw h PHE 28 N 0.66 1.00 -0.75 0.00 -1.00 -1.86 0.32 116.94 115.32 1mhw h PHE 28 Ca 0.05 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.60 1mhw h PHE 28 Cb 0.99 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 40.27 1mhw h PHE 28 CO 0.06 0.99 0.44 1.03 -1.61 0.00 0.00 178.31 179.22 1mhw h SER 29 N 0.72 0.91 -0.22 2.17 0.87 -1.79 0.17 113.55 116.38 1mhw h SER 29 Ca 0.11 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1mhw h SER 29 Cb 0.69 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1mhw h SER 29 CO 0.05 0.72 0.03 0.00 -0.53 0.00 0.00 176.83 177.10 1mhw h ALA 30 N 1.23 0.29 -0.17 6.23 0.00 -0.95 -1.89 119.26 124.01 1mhw h ALA 30 Ca 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1mhw h ALA 30 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mhw h ALA 30 CO -0.05 -0.02 -0.17 1.79 0.00 0.00 0.00 179.25 180.80 1mhw h THR 31 N 0.16 1.21 -0.05 0.00 1.35 -0.78 -0.90 112.91 113.90 1mhw h THR 31 Ca 0.07 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1mhw h THR 31 Cb 0.33 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1mhw h THR 31 CO 0.01 0.29 0.03 1.23 -0.25 0.00 0.00 175.52 176.82 1mhw h GLY 32 N 0.85 0.07 1.12 5.82 0.00 -0.73 0.25 103.07 110.46 1mhw h GLY 32 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1mhw h GLY 32 CO 0.03 0.03 0.01 0.00 0.00 0.00 0.00 176.54 176.61 1mhw h ALA 33 N 0.92 0.87 -0.48 3.60 0.00 -1.09 -1.90 119.26 121.19 1mhw h ALA 33 Ca 0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1mhw h ALA 33 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mhw h ALA 33 CO -0.00 0.66 -0.13 1.25 0.00 0.00 0.00 179.25 181.03 1mhw h LEU 34 N 0.96 0.95 -0.67 0.00 6.46 -1.04 -1.24 115.31 120.73 1mhw h LEU 34 Ca 0.17 -0.37 0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1mhw h LEU 34 Cb 0.54 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 1mhw h LEU 34 CO 0.03 1.10 0.35 -0.33 -0.62 0.00 0.00 178.44 178.97 1mhw h GLU 35 N 0.79 0.60 -0.42 1.25 5.08 -0.31 0.19 114.58 121.76 1mhw h GLU 35 Ca 0.12 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1mhw h GLU 35 Cb 0.69 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1mhw h GLU 35 CO 0.05 0.40 0.03 0.78 -1.00 0.00 0.00 179.01 179.27 1mhw h GLY 36 N 0.62 0.77 1.16 -3.84 0.00 -0.96 -2.23 103.07 98.59 1mhw h GLY 36 Ca 0.32 -0.54 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 1mhw h GLY 36 CO -0.23 0.50 -0.49 1.46 0.00 0.00 0.00 176.54 177.78 1mhw h GLN 37 N 0.56 0.89 -0.83 4.80 1.08 -0.81 -2.13 115.11 118.68 1mhw h GLN 37 Ca 0.12 -0.53 -0.03 0.00 -1.45 0.00 0.00 58.65 56.76 1mhw h GLN 37 Cb 0.43 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1mhw h GLN 37 CO 0.01 1.18 0.41 0.52 -0.95 0.00 0.00 178.83 180.00 1mhw h MET 38 N 0.70 1.19 -0.47 1.46 2.86 -0.64 -1.28 114.93 118.75 1mhw h MET 38 Ca 0.03 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1mhw h MET 38 Cb 1.10 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1mhw h MET 38 CO 0.11 0.91 0.27 0.35 1.06 0.00 0.00 176.91 179.62 1mhw h PHE 39 N 1.18 0.63 -0.48 -0.22 3.57 -1.33 0.16 116.94 120.45 1mhw h PHE 39 Ca 0.29 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1mhw h PHE 39 Cb 0.10 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1mhw h PHE 39 CO 0.01 0.45 0.32 -0.09 -2.23 0.00 0.00 178.31 176.78 1mhw h ARG 40 N 0.63 0.63 0.09 1.11 2.43 -0.96 0.54 114.38 118.85 1mhw h ARG 40 Ca 0.17 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 1mhw h ARG 40 Cb 0.02 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1mhw h ARG 40 CO -0.03 0.42 -0.73 -0.22 -1.51 0.00 0.00 179.97 177.90 1mhw h LYS 41 N 0.65 0.33 0.00 0.20 3.64 -0.61 -3.40 116.57 117.39 1mhw h LYS 41 Ca 0.18 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1mhw h LYS 41 Cb -0.07 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1mhw h LYS 41 CO -0.04 1.19 -1.00 0.25 -2.27 0.00 0.00 179.45 177.58 1mhw n THR 42 N -4.16 0.00 -0.85 1.00 -2.24 0.51 -5.00 114.28 103.55 1mhw n THR 42 Ca -0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1mhw n THR 42 Cb 0.77 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1mhw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mhw n GLY 43 N 1.54 0.85 3.28 3.38 0.00 0.19 -5.03 105.19 109.40 1mhw n GLY 43 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1mhw n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mhw s ARG 44 N -0.15 3.21 -0.38 1.61 0.52 -1.26 -5.02 118.95 117.48 1mhw s ARG 44 Ca 0.00 -0.78 -0.17 0.00 -0.52 0.00 0.00 55.73 54.26 1mhw s ARG 44 Cb 0.00 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.97 1mhw s ARG 44 CO 0.00 0.14 0.45 -1.17 0.02 0.00 0.00 175.30 174.74 1mhw s LEU 45 N 0.49 4.60 -0.09 2.53 2.96 -1.26 -3.87 118.68 124.04 1mhw s LEU 45 Ca -0.12 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1mhw s LEU 45 Cb -0.16 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1mhw s LEU 45 CO 0.05 -0.51 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.79 1mhw s ILE 46 N 2.21 1.43 0.22 6.68 1.01 -1.26 -5.10 121.20 126.38 1mhw s ILE 46 Ca 0.14 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1mhw s ILE 46 Cb -0.16 -1.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.91 1mhw s ILE 46 CO 0.13 0.42 1.47 -0.55 0.00 0.00 0.00 174.94 176.42 1mhw s SER 47 N 0.80 6.65 0.11 3.58 0.15 -1.26 -4.83 113.70 118.90 1mhw s SER 47 Ca -0.11 2.62 0.02 0.00 0.70 0.00 0.00 55.95 59.19 1mhw s SER 47 Cb -0.16 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 1mhw s SER 47 CO 0.02 -0.73 0.20 -0.76 1.20 0.00 0.00 173.24 173.17 1mhw s LEU 48 N 0.14 4.15 -0.56 3.45 1.43 -1.26 -0.28 118.68 125.75 1mhw s LEU 48 Ca 0.62 0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 1mhw s LEU 48 Cb -0.42 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.07 1mhw s LEU 48 CO 0.39 0.11 1.18 -0.55 0.23 0.00 0.00 176.35 177.71 1mhw s SER 49 N -2.85 6.48 0.27 2.29 0.15 -0.51 -4.16 113.70 115.37 1mhw s SER 49 Ca 0.33 0.17 0.04 0.00 0.70 0.00 0.00 55.95 57.19 1mhw s SER 49 Cb -0.12 -2.55 0.38 0.00 -1.71 0.00 0.00 66.02 62.02 1mhw s SER 49 CO 0.26 -1.44 1.66 -0.33 1.20 0.00 0.00 173.24 174.59 1mhw h GLU 50 N 9.49 0.33 -0.99 5.44 3.07 -1.88 -3.02 114.58 127.02 1mhw h GLU 50 Ca -0.25 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1mhw h GLU 50 Cb 1.06 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.92 1mhw h GLU 50 CO 1.18 0.69 0.65 0.37 -1.40 0.00 0.00 179.01 180.50 1mhw h GLN 51 N 0.28 1.31 -0.59 2.33 5.75 -1.84 0.12 115.11 122.46 1mhw h GLN 51 Ca 0.02 -0.09 0.09 0.00 -0.15 0.00 0.00 58.65 58.53 1mhw h GLN 51 Cb 0.85 -0.29 -0.07 0.00 1.07 0.00 0.00 27.48 29.04 1mhw h GLN 51 CO 0.07 0.88 0.22 -0.97 -2.65 0.00 0.00 178.83 176.37 1mhw h ASN 52 N 1.35 0.21 -0.29 -0.69 -0.00 -1.78 0.14 115.58 114.53 1mhw h ASN 52 Ca 0.36 0.08 -0.07 0.00 -0.00 0.00 0.00 56.30 56.67 1mhw h ASN 52 Cb -0.14 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 38.23 1mhw h ASN 52 CO -0.08 0.13 -0.09 -0.07 -0.00 0.00 0.00 177.43 177.33 1mhw h LEU 53 N 0.40 0.57 -0.40 0.34 3.38 -1.24 -0.95 115.31 117.40 1mhw h LEU 53 Ca 0.30 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1mhw h LEU 53 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1mhw h LEU 53 CO -0.30 0.82 0.26 0.58 0.09 0.00 0.00 178.44 179.89 1mhw h VAL 54 N 0.32 1.11 0.00 1.22 2.07 -0.16 -2.34 116.25 118.47 1mhw h VAL 54 Ca 0.07 -0.21 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 1mhw h VAL 54 Cb 0.58 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1mhw h VAL 54 CO 0.03 0.10 -0.92 0.44 0.02 0.00 0.00 177.57 177.25 1mhw h ASP 55 N 0.54 0.00 0.00 0.57 3.32 -0.73 -3.39 116.42 116.74 1mhw h ASP 55 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1mhw h ASP 55 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1mhw h ASP 55 CO -0.03 0.92 -0.96 0.00 -1.72 0.00 0.00 179.24 177.45 1mhw n SER 57 N -1.54 3.39 -0.15 0.00 3.41 -0.89 -4.33 113.62 113.51 1mhw n SER 57 Ca -0.00 -2.63 -0.09 0.00 -0.26 0.00 0.00 58.87 55.89 1mhw n SER 57 Cb 0.21 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1mhw n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1mhw h GLY 58 N 3.56 0.68 0.65 5.00 0.00 -1.83 -2.52 103.07 108.62 1mhw h GLY 58 Ca 0.15 -0.36 0.14 0.00 0.00 0.00 0.00 47.33 47.26 1mhw h GLY 58 CO 0.40 0.34 0.53 -2.55 0.00 0.00 0.00 176.54 175.25 1mhw h PRO 59 N 0.55 0.53 0.00 4.80 0.11 -1.88 0.52 132.00 136.64 1mhw h PRO 59 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1mhw h PRO 59 Cb 0.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1mhw h PRO 59 CO -0.01 0.35 0.00 1.04 -0.21 0.00 0.00 178.00 179.17 1mhw n GLN 60 N -4.51 0.18 0.00 1.05 3.00 -1.10 -4.90 117.38 111.11 1mhw n GLN 60 Ca 0.15 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1mhw n GLN 60 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1mhw n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mhw n GLY 61 N 1.02 1.46 3.81 1.08 0.00 0.17 -4.83 105.19 107.90 1mhw n GLY 61 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1mhw n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mhw s ASN 62 N -2.00 5.57 -0.30 1.61 0.01 -0.97 -4.91 114.94 113.96 1mhw s ASN 62 Ca 0.00 1.73 0.07 0.00 -0.71 0.00 0.00 52.86 53.95 1mhw s ASN 62 Cb 0.00 -2.52 0.46 0.00 0.41 0.00 0.00 41.25 39.60 1mhw s ASN 62 CO 0.00 -1.31 1.22 -0.62 -1.51 0.00 0.00 177.10 174.87 1mhw n GLU 63 N -2.56 3.52 0.00 -0.60 -0.58 0.56 -4.32 120.64 116.66 1mhw n GLU 63 Ca 0.08 -4.11 0.00 0.00 -0.42 0.00 0.00 57.16 52.71 1mhw n GLU 63 Cb 0.53 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.14 1mhw n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mhw n GLY 64 N -0.73 3.24 0.00 0.62 0.00 -1.23 -0.20 105.19 106.89 1mhw n GLY 64 Ca 0.44 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.68 1mhw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mhw n ASN 66 N -1.26 1.78 0.00 0.00 3.02 0.72 -0.79 115.26 118.73 1mhw n ASN 66 Ca 0.12 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1mhw n ASN 66 Cb 0.18 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1mhw n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mhw n GLY 67 N 1.21 1.93 0.00 7.41 0.00 -1.12 -4.90 105.19 109.72 1mhw n GLY 67 Ca 0.18 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1mhw n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mhw n GLY 68 N -1.23 -1.35 3.10 -0.02 0.00 -1.26 -0.32 105.19 104.10 1mhw n GLY 68 Ca 0.00 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1mhw n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mhw s LEU 69 N 0.00 2.08 0.22 0.99 1.43 -1.26 -4.81 118.68 117.33 1mhw s LEU 69 Ca 0.00 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1mhw s LEU 69 Cb 0.00 -0.60 0.19 0.00 0.03 0.00 0.00 46.19 45.81 1mhw s LEU 69 CO 0.00 0.10 1.85 0.24 0.23 0.00 0.00 176.35 178.78 1mhw h MET 70 N 5.52 1.19 -0.88 1.70 2.86 -2.00 -2.25 114.93 121.07 1mhw h MET 70 Ca -0.35 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1mhw h MET 70 Cb 1.17 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.54 1mhw h MET 70 CO 0.47 0.86 0.58 -0.44 1.06 0.00 0.00 176.91 179.45 1mhw h ASP 71 N 1.20 0.95 -0.26 1.22 3.32 -1.96 -0.37 116.42 120.51 1mhw h ASP 71 Ca 0.31 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1mhw h ASP 71 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1mhw h ASP 71 CO -0.05 0.65 -0.03 1.88 -1.72 0.00 0.00 179.24 179.96 1mhw h TYR 72 N 1.10 0.63 -0.35 4.55 0.05 -1.74 -0.71 116.97 120.50 1mhw h TYR 72 Ca 0.35 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 1mhw h TYR 72 Cb 0.04 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 1mhw h TYR 72 CO -0.00 0.63 -0.10 0.00 -1.05 0.00 0.00 178.16 177.64 1mhw h ALA 73 N 1.40 0.49 -0.73 3.88 0.00 -0.90 -0.54 119.26 122.86 1mhw h ALA 73 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1mhw h ALA 73 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1mhw h ALA 73 CO 0.02 0.35 0.37 0.74 0.00 0.00 0.00 179.25 180.73 1mhw h PHE 74 N 0.48 1.01 -0.59 0.00 0.04 -0.75 -0.72 116.94 116.41 1mhw h PHE 74 Ca 0.09 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1mhw h PHE 74 Cb 0.62 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1mhw h PHE 74 CO 0.05 0.72 0.09 0.37 -0.60 0.00 0.00 178.31 178.94 1mhw h GLN 75 N 1.02 0.94 -0.20 1.51 5.75 -0.95 -1.98 115.11 121.21 1mhw h GLN 75 Ca 0.25 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1mhw h GLN 75 Cb 0.07 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1mhw h GLN 75 CO -0.04 0.88 0.08 -0.92 -2.65 0.00 0.00 178.83 176.18 1mhw h TYR 76 N 0.89 0.30 -0.58 3.99 3.20 -0.04 0.35 116.97 125.08 1mhw h TYR 76 Ca 0.18 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1mhw h TYR 76 Cb 0.40 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 1mhw h TYR 76 CO 0.03 0.34 0.25 0.28 -1.64 0.00 0.00 178.16 177.41 1mhw h VAL 77 N 0.17 0.85 -0.05 1.81 2.07 -0.91 0.26 116.25 120.44 1mhw h VAL 77 Ca 0.07 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1mhw h VAL 77 Cb 0.16 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1mhw h VAL 77 CO -0.01 0.08 0.03 -0.61 0.02 0.00 0.00 177.57 177.09 1mhw h GLN 78 N 0.46 0.07 -0.61 1.57 4.15 -1.15 0.12 115.11 119.72 1mhw h GLN 78 Ca 0.28 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1mhw h GLN 78 Cb 0.28 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1mhw h GLN 78 CO -0.25 0.13 0.33 -0.44 -1.93 0.00 0.00 178.83 176.68 1mhw h ASP 79 N -0.00 0.77 0.90 -0.69 3.32 -0.38 -2.98 116.42 117.36 1mhw h ASP 79 Ca 0.02 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1mhw h ASP 79 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1mhw h ASP 79 CO -0.00 0.64 -0.31 -1.13 -1.72 0.00 0.00 179.24 176.71 1mhw h ASN 80 N 0.83 0.00 0.00 6.45 -1.24 -0.40 -3.47 115.58 117.76 1mhw h ASN 80 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1mhw h ASN 80 Cb 0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1mhw h ASN 80 CO -0.03 0.31 0.00 0.61 -1.29 0.00 0.00 177.43 177.03 1mhw n GLY 81 N 0.23 0.50 0.00 1.57 0.00 0.35 -4.97 105.19 102.88 1mhw n GLY 81 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1mhw n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mhw n GLY 82 N -2.90 -0.13 3.31 -0.02 0.00 -0.83 -4.90 105.19 99.73 1mhw n GLY 82 Ca 0.00 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1mhw n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mhw s LEU 83 N 0.00 -0.27 0.64 0.99 2.96 -0.88 -4.62 118.68 117.50 1mhw s LEU 83 Ca 0.00 0.97 -0.16 0.00 -0.22 0.00 0.00 54.13 54.73 1mhw s LEU 83 Cb 0.00 1.45 -0.01 0.00 0.50 0.00 0.00 46.19 48.13 1mhw s LEU 83 CO 0.00 -0.20 1.10 -1.81 -1.32 0.00 0.00 176.35 174.12 1mhw s ASP 84 N 1.63 5.28 0.68 3.68 1.01 -1.26 -1.64 116.67 126.05 1mhw s ASP 84 Ca -0.08 1.99 -0.14 0.00 0.71 0.00 0.00 52.55 55.02 1mhw s ASP 84 Cb -0.09 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1mhw s ASP 84 CO -0.14 -1.52 1.11 -0.94 0.21 0.00 0.00 175.17 173.90 1mhw s SER 85 N -2.54 4.99 0.29 0.27 1.04 -1.02 -1.42 113.70 115.31 1mhw s SER 85 Ca 0.67 1.98 -0.02 0.00 0.48 0.00 0.00 55.95 59.06 1mhw s SER 85 Cb -0.20 -2.55 0.45 0.00 0.10 0.00 0.00 66.02 63.83 1mhw s SER 85 CO 0.39 -1.71 1.94 -0.08 0.98 0.00 0.00 173.24 174.77 1mhw h GLU 86 N -0.16 1.08 -0.44 4.02 4.57 -0.80 -1.99 114.58 120.87 1mhw h GLU 86 Ca -0.46 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 1mhw h GLU 86 Cb 1.24 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1mhw h GLU 86 CO 0.54 0.72 0.20 1.49 -1.18 0.00 0.00 179.01 180.77 1mhw h GLU 87 N 1.12 0.64 0.00 1.92 4.81 -1.92 -2.62 114.58 118.53 1mhw h GLU 87 Ca 0.34 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1mhw h GLU 87 Cb -0.02 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1mhw h GLU 87 CO -0.09 0.57 -0.16 0.66 -0.73 0.00 0.00 179.01 179.25 1mhw h SER 88 N 0.57 0.00 -2.08 1.04 4.64 -1.86 -3.37 113.55 112.49 1mhw h SER 88 Ca 0.15 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.91 1mhw h SER 88 Cb 0.15 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.86 1mhw h SER 88 CO -0.02 0.16 -1.05 0.00 -0.87 0.00 0.00 176.83 175.05 1mhw n TYR 89 N -3.20 -0.63 -1.56 4.77 4.19 -0.77 -4.99 117.16 114.97 1mhw n TYR 89 Ca 0.02 -3.43 -0.37 0.00 3.31 0.00 0.00 57.90 57.42 1mhw n TYR 89 Cb 0.50 -0.11 0.05 0.00 0.49 0.00 0.00 39.34 40.28 1mhw n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1mhw n PRO 90 N 1.89 0.75 -2.46 2.98 -0.02 -1.00 -4.50 135.00 132.65 1mhw n PRO 90 Ca 0.24 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1mhw n PRO 90 Cb 0.52 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 1mhw n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1mhw s TYR 91 N -1.59 3.49 -0.21 6.00 5.04 -1.26 -4.70 117.35 124.12 1mhw s TYR 91 Ca 0.75 1.42 0.06 0.00 -2.44 0.00 0.00 57.07 56.87 1mhw s TYR 91 Cb -0.41 -3.36 -0.08 0.00 0.35 0.00 0.00 41.96 38.46 1mhw s TYR 91 CO 0.48 -1.00 0.23 0.39 -1.34 0.00 0.00 175.55 174.32 1mhw n GLU 92 N 3.32 3.44 -1.70 4.97 1.02 -1.26 -5.02 120.64 125.41 1mhw n GLU 92 Ca 0.06 -0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1mhw n GLU 92 Cb 0.46 -0.91 -0.04 0.00 -0.02 0.00 0.00 31.44 30.93 1mhw n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mhw n ALA 93 N -1.33 -0.28 -3.54 0.62 0.00 -1.26 -4.99 120.51 109.73 1mhw n ALA 93 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 1mhw n ALA 93 Cb 0.12 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 1mhw n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1mhw s THR 94 N -2.58 0.00 0.19 0.00 -1.32 -1.26 -4.57 115.64 106.11 1mhw s THR 94 Ca 0.00 -0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 1mhw s THR 94 Cb 0.00 -0.97 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 1mhw s THR 94 CO 0.00 -0.01 1.21 -0.70 -2.21 0.00 0.00 174.62 172.91 1mhw s GLU 95 N -0.56 4.48 0.31 7.08 2.12 -1.26 -4.96 118.70 125.90 1mhw s GLU 95 Ca -0.07 1.91 0.03 0.00 0.36 0.00 0.00 54.97 57.20 1mhw s GLU 95 Cb -0.02 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1mhw s GLU 95 CO 0.06 -0.10 0.14 -1.21 -0.54 0.00 0.00 175.26 173.61 1mhw s GLU 96 N -0.31 1.61 0.45 4.30 0.41 -1.26 -5.08 118.70 118.82 1mhw s GLU 96 Ca 0.53 -1.92 -0.24 0.00 -0.41 0.00 0.00 54.97 52.93 1mhw s GLU 96 Cb -0.33 -0.23 -0.08 0.00 -1.78 0.00 0.00 34.13 31.71 1mhw s GLU 96 CO 0.37 -0.41 1.29 -1.54 -0.49 0.00 0.00 175.26 174.48 1mhw s SER 97 N -3.40 6.03 0.08 -0.19 1.04 -1.26 -4.51 113.70 111.49 1mhw s SER 97 Ca 0.35 2.61 -0.32 0.00 0.48 0.00 0.00 55.95 59.08 1mhw s SER 97 Cb 0.05 -2.63 -0.11 0.00 0.10 0.00 0.00 66.02 63.44 1mhw s SER 97 CO 0.16 -1.04 1.85 0.00 0.98 0.00 0.00 173.24 175.20 1mhw n LYS 99 N 6.02 1.28 -1.68 0.00 5.02 -1.26 -5.03 118.16 122.51 1mhw n LYS 99 Ca 0.19 -2.97 -0.44 0.00 -2.02 0.00 0.00 58.31 53.07 1mhw n LYS 99 Cb 0.36 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 1mhw n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1mhw n TYR 100 N -0.89 2.22 -3.83 2.13 9.36 -1.26 -5.00 117.16 119.88 1mhw n TYR 100 Ca 0.16 0.45 -0.28 0.00 3.32 0.00 0.00 57.90 61.55 1mhw n TYR 100 Cb 0.75 -2.46 -0.16 0.00 -0.63 0.00 0.00 39.34 36.84 1mhw n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1mhw s ASN 101 N 0.17 2.90 0.54 2.98 3.84 -1.26 -5.03 114.94 119.09 1mhw s ASN 101 Ca 0.65 -0.75 0.27 0.00 0.21 0.00 0.00 52.86 53.25 1mhw s ASN 101 Cb -0.62 -0.80 1.44 0.00 -0.55 0.00 0.00 41.25 40.72 1mhw s ASN 101 CO 0.52 -0.24 1.97 1.55 -2.79 0.00 0.00 177.10 178.12 1mhw h PRO 102 N 8.16 0.00 0.00 0.43 0.13 -1.99 -0.81 132.00 137.92 1mhw h PRO 102 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1mhw h PRO 102 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1mhw h PRO 102 CO 0.37 0.00 -0.07 -0.22 -0.23 0.00 0.00 178.00 177.84 1mhw h LYS 103 N 0.00 0.00 -0.50 0.86 3.64 -2.02 -2.10 116.57 116.45 1mhw h LYS 103 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1mhw h LYS 103 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1mhw h LYS 103 CO -0.00 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 1mhw n TYR 104 N -4.02 0.66 -2.26 1.91 4.01 -0.31 -4.95 117.16 112.19 1mhw n TYR 104 Ca -0.03 -0.33 -0.42 0.00 -0.16 0.00 0.00 57.90 56.97 1mhw n TYR 104 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1mhw n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1mhw s SER 105 N -1.26 6.91 0.00 7.72 0.15 -0.79 -2.43 113.70 124.00 1mhw s SER 105 Ca 0.41 2.24 0.00 0.00 0.70 0.00 0.00 55.95 59.30 1mhw s SER 105 Cb 0.22 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1mhw s SER 105 CO 0.30 -0.58 0.56 1.33 1.20 0.00 0.00 173.24 176.06 1mhw n VAL 106 N 3.77 0.31 -3.91 4.45 0.24 -0.65 -4.93 118.33 117.60 1mhw n VAL 106 Ca 0.10 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 1mhw n VAL 106 Cb 0.44 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.76 1mhw n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mhw s ALA 107 N -0.31 -0.05 0.08 2.33 0.00 -1.19 -5.02 121.76 117.60 1mhw s ALA 107 Ca 0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 1mhw s ALA 107 Cb 0.00 0.52 0.08 0.00 0.00 0.00 0.00 23.12 23.72 1mhw s ALA 107 CO 0.00 -0.51 0.83 1.21 0.00 0.00 0.00 175.76 177.29 1mhw s ASN 108 N -2.89 -0.37 0.13 0.00 3.04 -1.26 -2.07 114.94 111.52 1mhw s ASN 108 Ca 0.08 -0.11 -0.13 0.00 0.04 0.00 0.00 52.86 52.73 1mhw s ASN 108 Cb 0.05 0.47 0.02 0.00 -1.54 0.00 0.00 41.25 40.25 1mhw s ASN 108 CO -0.09 -0.80 0.34 1.51 -3.04 0.00 0.00 177.10 175.02 1mhw s ASP 109 N -2.65 -0.10 -0.42 -4.21 1.47 -1.26 -5.01 116.67 104.49 1mhw s ASP 109 Ca 0.06 -0.49 0.04 0.00 1.18 0.00 0.00 52.55 53.34 1mhw s ASP 109 Cb -0.01 0.44 0.45 0.00 -0.34 0.00 0.00 42.92 43.46 1mhw s ASP 109 CO -0.07 -0.84 1.41 0.35 0.68 0.00 0.00 175.17 176.70 1mhw n THR 110 N -0.19 2.81 0.00 2.11 -2.24 -1.26 -4.00 114.28 111.52 1mhw n THR 110 Ca -0.14 -4.01 0.00 0.00 -2.27 0.00 0.00 64.05 57.63 1mhw n THR 110 Cb 0.63 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 1mhw n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mhw n GLY 111 N -0.72 -0.25 3.33 3.38 0.00 -1.26 -5.10 105.19 104.57 1mhw n GLY 111 Ca 0.48 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1mhw n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhw s PHE 112 N 0.00 0.27 -0.17 1.61 -0.71 -1.26 -4.93 117.98 112.78 1mhw s PHE 112 Ca 0.00 -0.64 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 1mhw s PHE 112 Cb 0.00 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1mhw s PHE 112 CO 0.00 -0.71 -0.17 0.08 -1.34 0.00 0.00 175.22 173.08 1mhw s VAL 113 N -3.93 2.37 -0.32 -2.49 1.01 -1.26 -5.09 120.40 110.70 1mhw s VAL 113 Ca 0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1mhw s VAL 113 Cb 0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1mhw s VAL 113 CO -0.03 0.52 0.62 -1.81 0.00 0.00 0.00 175.10 174.40 1mhw s ASP 114 N 1.15 6.47 0.32 3.32 1.01 -1.26 -5.04 116.67 122.64 1mhw s ASP 114 Ca 0.01 0.36 -0.28 0.00 0.71 0.00 0.00 52.55 53.35 1mhw s ASP 114 Cb -0.14 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 1mhw s ASP 114 CO -0.07 -0.50 1.13 -0.63 0.21 0.00 0.00 175.17 175.31 1mhw s ILE 115 N 2.61 3.36 0.46 0.77 1.01 -1.26 -4.98 121.20 123.18 1mhw s ILE 115 Ca 0.25 1.30 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 1mhw s ILE 115 Cb -0.15 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.43 1mhw s ILE 115 CO 0.12 0.26 0.95 -2.65 0.00 0.00 0.00 174.94 173.62 1mhw n PRO 116 N 0.83 1.20 -1.07 2.79 -0.02 -1.26 -4.78 135.00 132.69 1mhw n PRO 116 Ca 0.00 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 1mhw n PRO 116 Cb 0.45 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1mhw n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mhw n LYS 117 N -0.04 2.75 -3.82 -0.52 5.02 -1.26 -4.59 118.16 115.70 1mhw n LYS 117 Ca 0.10 -1.87 -0.13 0.00 -2.02 0.00 0.00 58.31 54.39 1mhw n LYS 117 Cb 0.41 -2.69 -0.14 0.00 -0.02 0.00 0.00 35.03 32.59 1mhw n LYS 117 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1mhw s GLN 118 N 3.02 0.09 0.35 1.97 2.00 -1.26 -5.05 119.66 120.78 1mhw s GLN 118 Ca 0.54 0.17 0.02 0.00 -2.00 0.00 0.00 55.36 54.09 1mhw s GLN 118 Cb 0.14 -0.01 0.64 0.00 0.80 0.00 0.00 33.01 34.58 1mhw s GLN 118 CO -0.04 -0.05 2.00 0.93 -0.50 0.00 0.00 175.29 177.64 1mhw h GLU 119 N 6.30 0.81 -0.66 1.67 5.08 -1.99 -0.71 114.58 125.08 1mhw h GLU 119 Ca -0.29 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1mhw h GLU 119 Cb 1.19 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1mhw h GLU 119 CO 0.45 0.55 0.28 0.87 -1.00 0.00 0.00 179.01 180.16 1mhw h LYS 120 N 0.83 0.95 -0.37 2.33 1.79 -1.96 -0.56 116.57 119.58 1mhw h LYS 120 Ca 0.22 -0.15 -0.14 0.00 -2.18 0.00 0.00 60.65 58.41 1mhw h LYS 120 Cb -0.07 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.40 1mhw h LYS 120 CO -0.04 0.76 -0.33 0.00 -1.08 0.00 0.00 179.45 178.76 1mhw h ALA 121 N 1.37 0.73 -0.51 3.86 0.00 -1.58 -2.39 119.26 120.74 1mhw h ALA 121 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1mhw h ALA 121 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1mhw h ALA 121 CO -0.02 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.31 1mhw h LEU 122 N 0.69 0.73 -0.65 0.00 5.85 -0.68 -1.63 115.31 119.62 1mhw h LEU 122 Ca 0.07 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1mhw h LEU 122 Cb 0.88 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1mhw h LEU 122 CO 0.08 0.72 0.40 -0.03 -0.34 0.00 0.00 178.44 179.27 1mhw h MET 123 N 0.69 0.76 -0.72 1.25 4.05 -0.99 0.46 114.93 120.42 1mhw h MET 123 Ca 0.17 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1mhw h MET 123 Cb 0.24 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1mhw h MET 123 CO -0.01 0.50 0.31 0.87 0.23 0.00 0.00 176.91 178.81 1mhw h LYS 124 N 0.78 1.07 -0.12 0.39 1.57 -1.22 -0.69 116.57 118.34 1mhw h LYS 124 Ca 0.26 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1mhw h LYS 124 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1mhw h LYS 124 CO -0.11 0.87 0.05 0.00 -0.57 0.00 0.00 179.45 179.69 1mhw h ALA 125 N 1.15 0.16 -0.87 3.86 0.00 -0.69 -0.93 119.26 121.94 1mhw h ALA 125 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1mhw h ALA 125 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1mhw h ALA 125 CO -0.02 -0.26 0.52 0.28 0.00 0.00 0.00 179.25 179.76 1mhw h VAL 126 N 0.04 1.24 -0.36 0.00 2.07 -0.77 0.41 116.25 118.88 1mhw h VAL 126 Ca 0.04 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.91 1mhw h VAL 126 Cb 0.17 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1mhw h VAL 126 CO -0.00 0.26 -0.19 0.00 0.02 0.00 0.00 177.57 177.65 1mhw h ALA 127 N 1.28 0.98 0.00 1.67 0.00 -0.96 -3.12 119.26 119.11 1mhw h ALA 127 Ca 0.31 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1mhw h ALA 127 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mhw h ALA 127 CO -0.06 0.60 -1.92 0.25 0.00 0.00 0.00 179.25 178.12 1mhw n THR 128 N -4.13 0.13 -0.12 0.00 -2.24 -0.37 -4.75 114.28 102.80 1mhw n THR 128 Ca 0.00 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1mhw n THR 128 Cb 0.40 -0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.55 1mhw n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1mhw n VAL 129 N -2.22 1.37 0.00 2.28 0.31 0.14 -5.07 118.33 115.14 1mhw n VAL 129 Ca -0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1mhw n VAL 129 Cb 0.56 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1mhw n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mhw n GLY 130 N 1.47 0.76 3.72 2.92 0.00 -1.18 -4.91 105.19 107.98 1mhw n GLY 130 Ca -0.45 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.18 1mhw n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1mhw n PRO 131 N 0.00 2.35 -5.23 1.61 -0.02 -1.26 -4.41 135.00 128.05 1mhw n PRO 131 Ca 0.00 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 1mhw n PRO 131 Cb 0.00 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 30.83 1mhw n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mhw s ILE 132 N -0.85 2.11 0.16 4.25 -1.09 -0.26 -4.73 121.20 120.79 1mhw s ILE 132 Ca 0.57 -1.03 -0.30 0.00 -2.23 0.00 0.00 60.65 57.66 1mhw s ILE 132 Cb -0.54 -1.78 -0.07 0.00 -1.58 0.00 0.00 42.46 38.49 1mhw s ILE 132 CO 0.60 0.57 1.16 -0.44 -1.23 0.00 0.00 174.94 175.59 1mhw s SER 133 N 0.01 7.15 0.13 3.58 0.01 -1.26 -0.69 113.70 122.63 1mhw s SER 133 Ca -0.09 2.14 -0.06 0.00 1.31 0.00 0.00 55.95 59.26 1mhw s SER 133 Cb -0.15 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1mhw s SER 133 CO 0.05 -0.34 0.17 0.68 0.41 0.00 0.00 173.24 174.22 1mhw s VAL 134 N 0.09 0.10 -0.04 3.43 -7.23 -0.34 -4.92 120.40 111.49 1mhw s VAL 134 Ca 0.53 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 1mhw s VAL 134 Cb -0.31 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1mhw s VAL 134 CO 0.35 -0.46 -0.24 0.00 -0.31 0.00 0.00 175.10 174.43 1mhw s ALA 135 N -3.98 2.22 0.11 1.32 0.00 -1.26 -0.12 121.76 120.05 1mhw s ALA 135 Ca 0.17 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1mhw s ALA 135 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1mhw s ALA 135 CO -0.02 0.50 -0.08 0.96 0.00 0.00 0.00 175.76 177.12 1mhw s ILE 136 N -0.48 0.86 -0.69 0.00 -4.36 -0.16 -4.92 121.20 111.46 1mhw s ILE 136 Ca 0.06 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.23 1mhw s ILE 136 Cb -0.11 -1.70 0.03 0.00 1.25 0.00 0.00 42.46 41.93 1mhw s ILE 136 CO 0.01 -0.81 1.22 -0.62 0.24 0.00 0.00 174.94 174.98 1mhw s ASP 137 N -3.03 6.24 -0.10 4.36 2.15 -1.26 -1.41 116.67 123.62 1mhw s ASP 137 Ca 0.13 -0.35 0.15 0.00 0.43 0.00 0.00 52.55 52.90 1mhw s ASP 137 Cb 0.04 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.61 1mhw s ASP 137 CO -0.03 -1.70 1.41 0.00 -0.17 0.00 0.00 175.17 174.69 1mhw n ALA 138 N 8.95 2.73 -0.93 3.66 0.00 -1.26 -4.79 120.51 128.88 1mhw n ALA 138 Ca 0.04 -1.70 -0.10 0.00 0.00 0.00 0.00 53.44 51.67 1mhw n ALA 138 Cb 0.49 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 19.11 1mhw n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mhw n GLY 139 N 0.28 2.92 3.05 0.00 0.00 -1.26 -4.69 105.19 105.49 1mhw n GLY 139 Ca 0.19 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1mhw n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mhw s HIS 140 N 0.87 -0.00 0.53 1.61 3.76 -1.26 -5.03 115.29 115.77 1mhw s HIS 140 Ca 0.57 -0.00 0.19 0.00 -0.15 0.00 0.00 55.06 55.67 1mhw s HIS 140 Cb 0.27 -0.03 1.36 0.00 1.11 0.00 0.00 32.58 35.30 1mhw s HIS 140 CO 0.00 -0.19 2.15 1.49 -0.85 0.00 0.00 174.74 177.34 1mhw h GLU 141 N 4.99 0.00 -0.02 1.40 4.81 -2.00 -0.88 114.58 122.87 1mhw h GLU 141 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1mhw h GLU 141 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1mhw h GLU 141 CO 0.41 0.00 -0.05 0.66 -0.73 0.00 0.00 179.01 179.30 1mhw h SER 142 N 0.00 0.03 0.13 1.04 4.64 -1.94 -1.13 113.55 116.31 1mhw h SER 142 Ca 0.03 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 1mhw h SER 142 Cb 0.12 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1mhw h SER 142 CO -0.00 0.09 -0.76 0.15 -0.87 0.00 0.00 176.83 175.44 1mhw h PHE 143 N 0.03 0.51 -0.74 4.77 3.57 -1.47 -2.51 116.94 121.10 1mhw h PHE 143 Ca 0.01 -0.37 0.08 0.00 3.53 0.00 0.00 57.97 61.21 1mhw h PHE 143 Cb 0.12 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1mhw h PHE 143 CO 0.00 1.29 0.41 1.25 -2.23 0.00 0.00 178.31 179.03 1mhw h LEU 144 N -0.40 0.59 -3.63 0.59 5.85 -1.21 -2.50 115.31 114.60 1mhw h LEU 144 Ca -0.13 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1mhw h LEU 144 Cb 1.60 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 1mhw h LEU 144 CO 0.14 0.36 0.08 0.49 -0.34 0.00 0.00 178.44 179.17 1mhw n PHE 145 N -4.78 2.22 -1.75 1.25 3.72 -0.45 -4.99 117.46 112.68 1mhw n PHE 145 Ca 0.11 -0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 56.22 1mhw n PHE 145 Cb 0.23 -0.57 -0.01 0.00 -0.94 0.00 0.00 39.48 38.19 1mhw n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1mhw n TYR 146 N 0.39 2.82 -0.03 1.38 9.36 -0.94 -4.93 117.16 125.22 1mhw n TYR 146 Ca 0.32 0.33 -0.05 0.00 3.32 0.00 0.00 57.90 61.82 1mhw n TYR 146 Cb 1.26 -2.56 -0.02 0.00 -0.63 0.00 0.00 39.34 37.39 1mhw n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1mhw n LYS 147 N 1.62 0.11 -3.89 2.98 5.02 -1.26 -5.07 118.16 117.67 1mhw n LYS 147 Ca 0.07 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.37 1mhw n LYS 147 Cb 0.37 -0.76 0.02 0.00 -0.02 0.00 0.00 35.03 34.64 1mhw n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1mhw s GLU 148 N -2.09 1.25 0.86 1.97 4.04 -1.26 -5.16 118.70 118.30 1mhw s GLU 148 Ca -0.07 -0.80 0.00 0.00 0.04 0.00 0.00 54.97 54.14 1mhw s GLU 148 Cb 0.03 0.35 0.00 0.00 0.02 0.00 0.00 34.13 34.52 1mhw s GLU 148 CO 0.09 -0.58 0.00 0.41 -1.84 0.00 0.00 175.26 173.34 1mhw n GLY 149 N -0.72 -1.97 3.66 -3.83 0.00 -1.26 -4.75 105.19 96.32 1mhw n GLY 149 Ca -0.02 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1mhw n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mhw s ILE 150 N -0.38 4.76 -0.13 -0.61 1.01 -1.26 -5.01 121.20 119.59 1mhw s ILE 150 Ca 0.00 1.84 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 1mhw s ILE 150 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1mhw s ILE 150 CO 0.00 -0.11 1.29 -0.47 0.00 0.00 0.00 174.94 175.65 1mhw s TYR 151 N 2.92 2.84 -0.05 3.97 5.04 -1.26 -5.01 117.35 125.79 1mhw s TYR 151 Ca 0.41 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 1mhw s TYR 151 Cb -0.15 -3.53 0.03 0.00 0.35 0.00 0.00 41.96 38.65 1mhw s TYR 151 CO 0.08 -1.85 0.02 0.12 -1.34 0.00 0.00 175.55 172.58 1mhw s PHE 152 N 3.24 0.37 -0.24 4.97 5.36 -1.26 -5.13 117.98 125.28 1mhw s PHE 152 Ca 0.57 0.03 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 1mhw s PHE 152 Cb -0.24 -0.61 0.06 0.00 -0.34 0.00 0.00 43.02 41.89 1mhw s PHE 152 CO 0.18 -0.24 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.63 1mhw s GLU 153 N 1.89 1.81 0.36 10.12 2.56 -1.26 -5.02 118.70 129.17 1mhw s GLU 153 Ca 0.02 -1.12 0.14 0.00 0.00 0.00 0.00 54.97 54.02 1mhw s GLU 153 Cb -0.12 -2.69 1.00 0.00 2.00 0.00 0.00 34.13 34.32 1mhw s GLU 153 CO -0.04 -0.60 1.76 -1.35 -0.56 0.00 0.00 175.26 174.48 1mhw h PRO 154 N 7.89 0.47 -0.62 4.30 0.11 -2.05 -0.85 132.00 141.25 1mhw h PRO 154 Ca -0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1mhw h PRO 154 Cb 1.06 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1mhw h PRO 154 CO 0.43 0.31 0.00 -0.25 -0.21 0.00 0.00 178.00 178.28 1mhw n ASP 155 N -4.72 2.79 -4.78 -2.05 8.00 -1.26 -4.93 116.55 109.60 1mhw n ASP 155 Ca 0.26 -2.28 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 1mhw n ASP 155 Cb 0.80 -0.45 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1mhw n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mhw s SER 157 N -2.04 3.35 -0.10 0.00 0.15 -1.26 -5.02 113.70 108.78 1mhw s SER 157 Ca 0.70 -0.70 0.16 0.00 0.70 0.00 0.00 55.95 56.80 1mhw s SER 157 Cb -0.21 -0.26 0.58 0.00 -1.71 0.00 0.00 66.02 64.42 1mhw s SER 157 CO 0.28 0.19 1.49 -1.54 1.20 0.00 0.00 173.24 174.87 1mhw n SER 158 N 1.04 4.14 -0.01 5.45 3.41 -1.26 -4.40 113.62 121.99 1mhw n SER 158 Ca -0.18 -2.49 -0.02 0.00 -0.26 0.00 0.00 58.87 55.93 1mhw n SER 158 Cb 0.53 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1mhw n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mhw n GLU 159 N 0.58 2.12 -1.18 4.33 1.02 -1.26 -4.79 120.64 121.46 1mhw n GLU 159 Ca 0.21 0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 57.15 1mhw n GLU 159 Cb 0.79 -1.06 0.16 0.00 -0.02 0.00 0.00 31.44 31.31 1mhw n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mhw n ASP 160 N -2.30 4.15 -4.52 1.62 5.68 -1.26 -5.03 116.55 114.89 1mhw n ASP 160 Ca -0.04 -3.70 -0.56 0.00 -0.50 0.00 0.00 54.79 49.99 1mhw n ASP 160 Cb 0.57 -0.78 -0.07 0.00 -1.14 0.00 0.00 41.12 39.69 1mhw n ASP 160 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1mhw n MET 161 N -1.08 0.37 0.00 0.11 2.81 -1.26 -4.77 117.12 113.29 1mhw n MET 161 Ca 0.53 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 1mhw n MET 161 Cb 1.29 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 1mhw n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mhw n ASP 162 N 1.83 0.69 -3.86 7.83 5.75 -0.67 -4.88 116.55 123.25 1mhw n ASP 162 Ca 0.19 -1.04 -0.26 0.00 -0.01 0.00 0.00 54.79 53.67 1mhw n ASP 162 Cb 0.13 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.05 1mhw n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1mhw s HIS 163 N -0.04 1.24 -0.11 2.11 5.04 -0.50 -4.93 115.29 118.09 1mhw s HIS 163 Ca 0.00 -0.60 -0.24 0.00 -1.54 0.00 0.00 55.06 52.67 1mhw s HIS 163 Cb 0.00 -1.10 -0.03 0.00 0.04 0.00 0.00 32.58 31.49 1mhw s HIS 163 CO 0.00 -0.47 0.76 0.20 -2.34 0.00 0.00 174.74 172.89 1mhw s GLY 164 N 1.79 2.40 0.06 1.59 0.00 -1.26 -0.98 107.32 110.91 1mhw s GLY 164 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1mhw s GLY 164 CO -0.07 1.41 0.04 3.33 0.00 0.00 0.00 173.10 177.81 1mhw n VAL 165 N 4.23 0.00 -3.99 1.40 0.24 0.83 -4.55 118.33 116.49 1mhw n VAL 165 Ca 0.01 -0.41 -0.27 0.00 -2.04 0.00 0.00 64.34 61.63 1mhw n VAL 165 Cb 0.50 0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.89 1mhw n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1mhw s LEU 166 N 0.00 1.30 -0.34 1.34 2.96 -1.26 -1.20 118.68 121.48 1mhw s LEU 166 Ca 0.06 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.39 1mhw s LEU 166 Cb 0.00 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.81 1mhw s LEU 166 CO 0.04 -0.09 0.85 -0.69 -1.32 0.00 0.00 176.35 175.13 1mhw s VAL 167 N 1.57 4.70 -1.36 1.68 1.01 0.13 -4.89 120.40 123.24 1mhw s VAL 167 Ca 0.03 1.15 0.17 0.00 0.00 0.00 0.00 61.98 63.33 1mhw s VAL 167 Cb -0.13 -4.24 0.50 0.00 0.00 0.00 0.00 36.38 32.51 1mhw s VAL 167 CO -0.07 -0.40 1.42 1.33 0.00 0.00 0.00 175.10 177.38 1mhw n VAL 168 N 5.75 1.13 -3.84 2.92 0.24 -1.26 -1.10 118.33 122.17 1mhw n VAL 168 Ca 0.05 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 1mhw n VAL 168 Cb 0.48 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 1mhw n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mhw n GLY 169 N 1.02 -1.00 3.50 7.63 0.00 -1.26 -1.03 105.19 114.04 1mhw n GLY 169 Ca 0.19 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1mhw n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mhw s TYR 170 N -2.97 -0.42 0.00 1.61 -0.85 0.50 -4.96 117.35 110.26 1mhw s TYR 170 Ca 0.00 0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.77 1mhw s TYR 170 Cb 0.00 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.91 1mhw s TYR 170 CO 0.00 -0.76 0.00 0.41 -1.52 0.00 0.00 175.55 173.68 1mhw n GLY 171 N -0.34 1.48 3.19 5.49 0.00 -1.26 -0.56 105.19 113.19 1mhw n GLY 171 Ca -0.12 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1mhw n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mhw s PHE 172 N -2.16 -0.00 0.16 1.61 -0.71 -1.26 -5.04 117.98 110.58 1mhw s PHE 172 Ca 0.00 -0.15 -0.03 0.00 -1.04 0.00 0.00 56.93 55.71 1mhw s PHE 172 Cb 0.00 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1mhw s PHE 172 CO 0.00 -0.42 0.37 -1.21 -1.34 0.00 0.00 175.22 172.62 1mhw s GLU 173 N -2.24 3.57 0.00 1.99 2.02 -1.26 -5.16 118.70 117.62 1mhw s GLU 173 Ca -0.07 -0.21 0.31 0.00 0.02 0.00 0.00 54.97 55.02 1mhw s GLU 173 Cb -0.02 -2.86 1.65 0.00 0.10 0.00 0.00 34.13 33.00 1mhw s GLU 173 CO -0.02 0.45 2.08 0.43 0.02 0.00 0.00 175.26 178.22