#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8c n PRO 2 N 0.00 -0.46 0.03 0.00 -0.04 -1.26 -4.98 135.00 128.30 3h8c n PRO 2 Ca 0.00 -0.10 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 3h8c n PRO 2 Cb 0.00 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 31.61 3h8c n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h8c h ARG 3 N -1.59 -0.14 -5.41 0.54 2.47 -2.03 -3.46 114.38 104.76 3h8c h ARG 3 Ca -0.45 0.01 -0.41 0.00 -1.26 0.00 0.00 59.98 57.87 3h8c h ARG 3 Cb 1.30 0.03 -0.17 0.00 -1.65 0.00 0.00 29.97 29.48 3h8c h ARG 3 CO 0.34 0.34 -0.75 -1.12 0.56 0.00 0.00 179.97 179.34 3h8c s SER 4 N -5.57 2.07 -0.11 7.04 0.01 -1.26 -4.51 113.70 111.37 3h8c s SER 4 Ca -0.14 -0.87 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 3h8c s SER 4 Cb 0.01 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3h8c s SER 4 CO 0.56 -0.17 0.33 -0.69 0.41 0.00 0.00 173.24 173.68 3h8c s VAL 5 N -2.43 0.01 -0.36 3.43 1.01 0.17 -4.94 120.40 117.29 3h8c s VAL 5 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3h8c s VAL 5 Cb -0.03 -0.49 0.17 0.00 0.00 0.00 0.00 36.38 36.03 3h8c s VAL 5 CO 0.03 -0.04 0.53 -0.62 0.00 0.00 0.00 175.10 175.00 3h8c s ASP 6 N -0.06 -0.63 0.00 3.32 -1.08 -1.26 0.07 116.67 117.03 3h8c s ASP 6 Ca -0.02 -0.72 0.02 0.00 -0.52 0.00 0.00 52.55 51.30 3h8c s ASP 6 Cb -0.03 1.52 0.07 0.00 -1.46 0.00 0.00 42.92 43.03 3h8c s ASP 6 CO 0.01 -0.24 0.93 0.79 0.52 0.00 0.00 175.17 177.17 3h8c n TRP 7 N 4.71 0.00 0.12 -5.34 7.02 0.28 -1.70 117.44 122.52 3h8c n TRP 7 Ca 0.08 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.54 3h8c n TRP 7 Cb 0.53 -0.37 0.16 0.00 -2.42 0.00 0.00 31.31 29.21 3h8c n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h8c h ARG 8 N 0.00 0.10 0.00 -0.99 3.08 -1.96 -2.84 114.38 111.77 3h8c h ARG 8 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3h8c h ARG 8 Cb 0.02 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3h8c h ARG 8 CO 0.00 0.66 0.00 0.93 -1.07 0.00 0.00 179.97 180.49 3h8c h GLU 9 N 0.07 0.00 -0.42 0.04 5.08 -1.73 -3.07 114.58 114.55 3h8c h GLU 9 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h8c h GLU 9 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3h8c h GLU 9 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3h8c n LYS 10 N -2.57 2.86 -1.42 2.33 4.76 -1.08 -4.99 118.16 118.04 3h8c n LYS 10 Ca 0.01 -2.18 -0.02 0.00 -2.87 0.00 0.00 58.31 53.25 3h8c n LYS 10 Cb 0.20 -1.34 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3h8c n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8c n GLY 11 N 0.71 0.42 0.10 0.72 0.00 -1.16 -4.95 105.19 101.03 3h8c n GLY 11 Ca 0.14 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.33 3h8c n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h8c n TYR 12 N -3.36 0.85 -4.32 1.61 4.02 -1.16 -4.75 117.16 110.05 3h8c n TYR 12 Ca -0.02 0.25 -0.34 0.00 -0.01 0.00 0.00 57.90 57.78 3h8c n TYR 12 Cb 0.23 -0.90 -0.11 0.00 -0.02 0.00 0.00 39.34 38.54 3h8c n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h8c s VAL 13 N -3.38 4.21 0.65 -0.72 1.01 -1.26 -3.81 120.40 117.10 3h8c s VAL 13 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 3h8c s VAL 13 Cb 0.10 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3h8c s VAL 13 CO 0.81 0.53 0.99 0.42 0.00 0.00 0.00 175.10 177.85 3h8c s THR 14 N -0.13 3.37 1.26 3.92 -4.23 -1.26 -5.03 115.64 113.54 3h8c s THR 14 Ca 0.04 0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.50 3h8c s THR 14 Cb -0.13 -3.39 0.28 0.00 1.34 0.00 0.00 72.50 70.60 3h8c s THR 14 CO 0.02 -0.44 0.70 -2.65 -0.54 0.00 0.00 174.62 171.71 3h8c n PRO 15 N -2.79 -3.15 -2.60 3.99 -0.02 -1.26 -4.92 135.00 124.26 3h8c n PRO 15 Ca 0.06 -0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 60.22 3h8c n PRO 15 Cb 0.58 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 3h8c n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h8c s VAL 16 N -2.24 3.92 0.44 -1.45 1.01 -1.26 -5.05 120.40 115.77 3h8c s VAL 16 Ca 0.62 1.78 0.07 0.00 0.00 0.00 0.00 61.98 64.45 3h8c s VAL 16 Cb -0.17 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3h8c s VAL 16 CO 0.59 0.37 0.29 -0.54 0.00 0.00 0.00 175.10 175.81 3h8c s LYS 17 N -0.82 2.34 -0.20 2.72 1.02 -1.26 -4.71 119.74 118.83 3h8c s LYS 17 Ca 0.45 -1.77 -0.01 0.00 0.02 0.00 0.00 55.97 54.66 3h8c s LYS 17 Cb -0.28 -2.14 0.06 0.00 -0.52 0.00 0.00 37.83 34.94 3h8c s LYS 17 CO 0.35 -0.24 -0.01 1.21 -0.92 0.00 0.00 175.35 175.73 3h8c s ASN 18 N -4.06 3.16 0.00 2.83 3.84 -1.26 -1.77 114.94 117.68 3h8c s ASN 18 Ca 0.42 -0.88 0.11 0.00 0.21 0.00 0.00 52.86 52.72 3h8c s ASN 18 Cb 0.00 -0.85 0.51 0.00 -0.55 0.00 0.00 41.25 40.36 3h8c s ASN 18 CO 0.24 -0.25 1.33 0.00 -2.79 0.00 0.00 177.10 175.62 3h8c n GLN 19 N 4.89 0.05 0.00 0.43 10.64 -0.26 -4.95 117.38 128.19 3h8c n GLN 19 Ca -0.10 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 3h8c n GLN 19 Cb 0.46 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 3h8c n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h8c n GLY 20 N -0.34 0.68 3.20 2.61 0.00 -1.26 -3.63 105.19 106.46 3h8c n GLY 20 Ca 0.04 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 3h8c n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h8c n GLN 21 N 0.00 3.69 -3.66 1.61 6.02 -1.26 -4.85 117.38 118.92 3h8c n GLN 21 Ca 0.00 -4.06 -0.10 0.00 -0.01 0.00 0.00 57.00 52.83 3h8c n GLN 21 Cb 0.00 -2.79 -0.08 0.00 1.02 0.00 0.00 30.24 28.39 3h8c n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h8c n GLY 23 N 3.85 3.39 3.23 0.00 0.00 0.08 -4.93 105.19 110.82 3h8c n GLY 23 Ca -0.19 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 3h8c n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8c s SER 24 N 2.28 5.81 0.00 1.61 1.04 -1.26 -2.99 113.70 120.19 3h8c s SER 24 Ca 0.61 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 55.14 3h8c s SER 24 Cb 0.22 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.29 3h8c s SER 24 CO -0.03 -0.73 0.00 -2.67 0.98 0.00 0.00 173.24 170.80 3h8c n TRP 26 N 4.96 0.00 -0.17 5.02 4.27 -1.26 -2.60 117.44 127.66 3h8c n TRP 26 Ca -0.09 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.41 3h8c n TRP 26 Cb 0.41 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 3h8c n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3h8c h ALA 27 N 0.00 0.69 -0.25 -1.67 0.00 -1.92 -0.65 119.26 115.46 3h8c h ALA 27 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3h8c h ALA 27 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h8c h ALA 27 CO 0.00 0.61 -0.48 0.74 0.00 0.00 0.00 179.25 180.12 3h8c h PHE 28 N 0.83 0.83 -0.63 0.00 -1.00 -1.88 0.18 116.94 115.28 3h8c h PHE 28 Ca 0.13 -0.27 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 3h8c h PHE 28 Cb 0.68 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 3h8c h PHE 28 CO 0.05 1.03 0.32 1.03 -1.61 0.00 0.00 178.31 179.13 3h8c h SER 29 N 0.54 0.81 0.35 2.17 0.87 -1.82 -0.58 113.55 115.88 3h8c h SER 29 Ca 0.03 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3h8c h SER 29 Cb 1.04 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 3h8c h SER 29 CO 0.10 0.70 -0.17 0.00 -0.53 0.00 0.00 176.83 176.93 3h8c h ALA 30 N 1.15 -0.47 -0.92 6.23 0.00 -0.80 -1.97 119.26 122.48 3h8c h ALA 30 Ca 0.22 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3h8c h ALA 30 Cb 0.08 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3h8c h ALA 30 CO -0.03 -0.66 0.60 1.79 0.00 0.00 0.00 179.25 180.95 3h8c h THR 31 N -0.68 1.07 -0.13 0.00 1.35 -0.92 -0.36 112.91 113.23 3h8c h THR 31 Ca -0.05 -0.36 0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3h8c h THR 31 Cb 0.48 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 3h8c h THR 31 CO 0.08 0.19 -0.01 1.23 -0.25 0.00 0.00 175.52 176.76 3h8c h GLY 32 N 1.04 0.12 1.24 5.82 0.00 -0.94 0.43 103.07 110.78 3h8c h GLY 32 Ca 0.40 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 3h8c h GLY 32 CO -0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 176.54 176.28 3h8c h ALA 33 N 1.12 0.91 -0.22 3.60 0.00 -0.79 -2.57 119.26 121.30 3h8c h ALA 33 Ca 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3h8c h ALA 33 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h8c h ALA 33 CO -0.11 0.63 -0.03 1.25 0.00 0.00 0.00 179.25 180.99 3h8c h LEU 34 N 0.82 0.40 -0.82 0.00 6.46 -0.72 -2.42 115.31 119.03 3h8c h LEU 34 Ca 0.14 -0.34 0.11 0.00 -0.12 0.00 0.00 57.88 57.67 3h8c h LEU 34 Cb 0.60 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 3h8c h LEU 34 CO 0.04 0.65 0.45 -0.33 -0.62 0.00 0.00 178.44 178.63 3h8c h GLU 35 N 0.15 0.69 -0.42 1.25 5.08 -0.05 -0.79 114.58 120.48 3h8c h GLU 35 Ca 0.06 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3h8c h GLU 35 Cb 0.46 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3h8c h GLU 35 CO 0.02 0.46 -0.17 0.78 -1.00 0.00 0.00 179.01 179.10 3h8c h GLY 36 N 0.71 0.86 0.54 -3.84 0.00 -1.32 -2.37 103.07 97.66 3h8c h GLY 36 Ca 0.42 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3h8c h GLY 36 CO -0.29 0.64 -0.09 1.46 0.00 0.00 0.00 176.54 178.26 3h8c h GLN 37 N 0.71 0.14 -0.78 4.80 1.08 -0.82 -2.14 115.11 118.10 3h8c h GLN 37 Ca 0.11 -0.09 0.13 0.00 -1.45 0.00 0.00 58.65 57.35 3h8c h GLN 37 Cb 0.67 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.02 3h8c h GLN 37 CO 0.05 0.68 0.37 0.52 -0.95 0.00 0.00 178.83 179.49 3h8c h MET 38 N -0.38 0.54 0.21 1.46 2.86 -1.23 0.28 114.93 118.68 3h8c h MET 38 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3h8c h MET 38 Cb 0.67 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3h8c h MET 38 CO 0.02 0.36 -0.13 0.35 1.06 0.00 0.00 176.91 178.56 3h8c h PHE 39 N 0.56 -0.35 -0.24 -0.22 3.57 -1.38 0.63 116.94 119.51 3h8c h PHE 39 Ca 0.42 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.98 3h8c h PHE 39 Cb 0.57 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3h8c h PHE 39 CO -0.12 -0.21 0.26 -0.09 -2.23 0.00 0.00 178.31 175.92 3h8c h ARG 40 N -0.34 0.00 0.00 1.11 2.43 -0.46 0.66 114.38 117.78 3h8c h ARG 40 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h8c h ARG 40 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3h8c h ARG 40 CO 0.02 0.00 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.07 3h8c h LYS 41 N 0.00 0.00 0.00 0.20 3.64 0.22 -3.42 116.57 117.21 3h8c h LYS 41 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3h8c h LYS 41 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3h8c h LYS 41 CO -0.00 0.00 -0.33 1.79 -2.27 0.00 0.00 179.45 178.64 3h8c h THR 42 N -0.48 0.50 0.00 1.00 1.35 0.23 -3.47 112.91 112.04 3h8c h THR 42 Ca 0.00 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3h8c h THR 42 Cb 0.19 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3h8c h THR 42 CO 0.00 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 3h8c n GLY 43 N 1.18 1.27 3.51 5.82 0.00 0.23 -5.03 105.19 112.18 3h8c n GLY 43 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3h8c n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h8c s ARG 44 N -0.50 3.71 -0.32 1.61 0.52 -1.26 -4.98 118.95 117.74 3h8c s ARG 44 Ca 0.00 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.57 3h8c s ARG 44 Cb 0.00 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.44 3h8c s ARG 44 CO 0.00 0.19 0.36 -1.17 0.02 0.00 0.00 175.30 174.70 3h8c s LEU 45 N 0.52 4.28 -0.07 2.53 2.96 -1.26 -3.83 118.68 123.81 3h8c s LEU 45 Ca -0.02 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3h8c s LEU 45 Cb -0.14 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.20 3h8c s LEU 45 CO 0.02 -0.28 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.06 3h8c s ILE 46 N 2.04 0.87 0.26 6.68 1.09 -1.26 -5.10 121.20 125.78 3h8c s ILE 46 Ca 0.13 -0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 59.10 3h8c s ILE 46 Cb -0.16 -0.86 -0.11 0.00 -1.06 0.00 0.00 42.46 40.26 3h8c s ILE 46 CO 0.11 0.31 1.57 -0.55 -0.10 0.00 0.00 174.94 176.29 3h8c s SER 47 N 1.15 6.46 0.27 3.58 0.15 -1.26 -4.83 113.70 119.22 3h8c s SER 47 Ca -0.06 2.84 0.05 0.00 0.70 0.00 0.00 55.95 59.48 3h8c s SER 47 Cb -0.14 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.52 3h8c s SER 47 CO -0.01 -0.86 0.39 -0.76 1.20 0.00 0.00 173.24 173.20 3h8c s LEU 48 N -0.08 4.21 -0.30 3.45 1.43 -1.26 -0.77 118.68 125.37 3h8c s LEU 48 Ca 0.65 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.53 3h8c s LEU 48 Cb -0.46 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 3h8c s LEU 48 CO 0.43 -0.18 0.65 -0.55 0.23 0.00 0.00 176.35 176.93 3h8c s SER 49 N -4.04 6.53 0.09 2.29 0.15 -0.91 -4.00 113.70 113.80 3h8c s SER 49 Ca 0.37 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.52 3h8c s SER 49 Cb -0.09 -2.34 -0.25 0.00 -1.71 0.00 0.00 66.02 61.62 3h8c s SER 49 CO 0.30 -0.48 1.19 -0.33 1.20 0.00 0.00 173.24 175.11 3h8c h GLU 50 N 8.14 0.16 -0.12 5.44 3.07 -1.89 -3.14 114.58 126.25 3h8c h GLU 50 Ca -0.26 -0.28 -0.04 0.00 -0.50 0.00 0.00 59.36 58.28 3h8c h GLU 50 Cb 1.12 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 3h8c h GLU 50 CO 0.81 1.13 -0.11 0.37 -1.40 0.00 0.00 179.01 179.81 3h8c h GLN 51 N 0.04 0.18 -0.32 2.33 5.75 -1.84 0.24 115.11 121.49 3h8c h GLN 51 Ca -0.09 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 3h8c h GLN 51 Cb 1.90 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.40 3h8c h GLN 51 CO 0.17 0.30 0.15 -0.97 -2.65 0.00 0.00 178.83 175.83 3h8c h ASN 52 N 0.17 0.43 -0.17 -0.69 -0.00 -1.80 -0.43 115.58 113.10 3h8c h ASN 52 Ca 0.04 -0.13 -0.02 0.00 -0.00 0.00 0.00 56.30 56.18 3h8c h ASN 52 Cb 0.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 3h8c h ASN 52 CO 0.02 0.44 0.03 -0.07 -0.00 0.00 0.00 177.43 177.85 3h8c h LEU 53 N 0.38 0.26 -1.28 0.34 3.38 -1.18 -2.64 115.31 114.57 3h8c h LEU 53 Ca 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3h8c h LEU 53 Cb 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3h8c h LEU 53 CO -0.01 0.45 0.39 0.58 0.09 0.00 0.00 178.44 179.93 3h8c h VAL 54 N 0.07 1.18 0.06 1.22 2.07 -0.41 -2.38 116.25 118.05 3h8c h VAL 54 Ca 0.05 -0.41 -0.26 0.00 0.82 0.00 0.00 66.70 66.90 3h8c h VAL 54 Cb 0.30 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3h8c h VAL 54 CO 0.00 0.19 -1.32 0.44 0.02 0.00 0.00 177.57 176.90 3h8c h ASP 55 N 0.89 0.20 -0.01 0.57 3.32 -1.05 -3.36 116.42 116.98 3h8c h ASP 55 Ca 0.23 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3h8c h ASP 55 Cb -0.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3h8c h ASP 55 CO -0.04 1.20 -0.14 0.00 -1.72 0.00 0.00 179.24 178.54 3h8c n SER 57 N -0.29 3.49 -0.18 0.00 3.41 -0.90 -4.29 113.62 114.86 3h8c n SER 57 Ca 0.03 -2.66 -0.09 0.00 -0.26 0.00 0.00 58.87 55.89 3h8c n SER 57 Cb 0.15 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.47 3h8c n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h8c h GLY 58 N 3.57 0.92 0.52 5.00 0.00 -1.84 -2.28 103.07 108.96 3h8c h GLY 58 Ca 0.15 -0.62 0.11 0.00 0.00 0.00 0.00 47.33 46.96 3h8c h GLY 58 CO 0.41 0.58 0.61 -2.55 0.00 0.00 0.00 176.54 175.59 3h8c h PRO 59 N 0.73 0.96 0.00 4.80 0.11 -1.86 -0.62 132.00 136.13 3h8c h PRO 59 Ca 0.15 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3h8c h PRO 59 Cb 0.42 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3h8c h PRO 59 CO 0.01 0.64 0.00 1.96 -0.21 0.00 0.00 178.00 180.40 3h8c h GLN 60 N 0.99 0.00 0.00 1.05 7.50 -1.85 -3.46 115.11 119.34 3h8c h GLN 60 Ca 0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.62 3h8c h GLN 60 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.95 3h8c h GLN 60 CO -0.25 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.49 3h8c n GLY 61 N 0.26 0.83 3.85 3.46 0.00 -0.24 -4.84 105.19 108.51 3h8c n GLY 61 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3h8c n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8c s ASN 62 N -0.47 6.64 -0.31 1.61 0.01 -0.87 -4.84 114.94 116.71 3h8c s ASN 62 Ca 0.00 1.45 0.08 0.00 -0.71 0.00 0.00 52.86 53.68 3h8c s ASN 62 Cb 0.00 -2.46 0.47 0.00 0.41 0.00 0.00 41.25 39.67 3h8c s ASN 62 CO 0.00 -0.49 1.38 -0.62 -1.51 0.00 0.00 177.10 175.87 3h8c n GLU 63 N -1.32 2.37 0.00 -0.60 -0.58 0.25 -4.06 120.64 116.70 3h8c n GLU 63 Ca 0.05 -3.51 0.00 0.00 -0.42 0.00 0.00 57.16 53.28 3h8c n GLU 63 Cb 0.54 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3h8c n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h8c n GLY 64 N -0.99 3.55 0.00 0.62 0.00 -1.18 -0.39 105.19 106.79 3h8c n GLY 64 Ca 0.36 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.55 3h8c n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8c n ASN 66 N -1.06 3.12 0.00 0.00 3.02 0.47 -0.74 115.26 120.07 3h8c n ASN 66 Ca 0.14 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 3h8c n ASN 66 Cb 0.09 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3h8c n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8c n GLY 67 N 1.13 3.04 0.00 7.41 0.00 -1.05 -4.84 105.19 110.88 3h8c n GLY 67 Ca 0.16 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3h8c n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 68 N -1.62 -2.01 3.17 -0.02 0.00 -1.26 0.88 105.19 104.33 3h8c n GLY 68 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 3h8c n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h8c s LEU 69 N 0.00 2.34 0.27 0.99 1.43 -1.26 -4.76 118.68 117.70 3h8c s LEU 69 Ca 0.00 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3h8c s LEU 69 Cb 0.00 -0.41 0.39 0.00 0.03 0.00 0.00 46.19 46.20 3h8c s LEU 69 CO 0.00 -0.17 1.74 0.24 0.23 0.00 0.00 176.35 178.39 3h8c h MET 70 N 3.92 0.60 -0.30 1.70 2.86 -1.98 -2.84 114.93 118.88 3h8c h MET 70 Ca -0.39 -0.20 -0.08 0.00 -2.06 0.00 0.00 59.70 56.98 3h8c h MET 70 Cb 1.19 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3h8c h MET 70 CO 0.46 0.73 -0.15 -0.44 1.06 0.00 0.00 176.91 178.58 3h8c h ASP 71 N 0.54 0.51 0.54 1.22 3.32 -1.96 -0.49 116.42 120.10 3h8c h ASP 71 Ca 0.09 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3h8c h ASP 71 Cb 0.58 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3h8c h ASP 71 CO 0.04 0.69 -0.20 1.88 -1.72 0.00 0.00 179.24 179.92 3h8c h TYR 72 N 0.48 0.00 0.00 4.55 0.05 -1.83 -0.30 116.97 119.92 3h8c h TYR 72 Ca 0.08 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 3h8c h TYR 72 Cb 0.54 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.29 3h8c h TYR 72 CO 0.02 0.20 -0.42 0.00 -1.05 0.00 0.00 178.16 176.91 3h8c h ALA 73 N 1.80 0.05 -0.56 3.88 0.00 -1.03 -1.54 119.26 121.85 3h8c h ALA 73 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3h8c h ALA 73 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3h8c h ALA 73 CO 0.03 0.21 0.32 0.74 0.00 0.00 0.00 179.25 180.55 3h8c h PHE 74 N -0.32 0.77 -0.02 0.00 0.04 -0.83 -0.94 116.94 115.64 3h8c h PHE 74 Ca -0.05 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3h8c h PHE 74 Cb 1.17 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 3h8c h PHE 74 CO 0.17 0.55 -0.11 0.37 -0.60 0.00 0.00 178.31 178.68 3h8c h GLN 75 N 0.76 -0.18 -0.41 1.51 5.75 -1.09 0.28 115.11 121.73 3h8c h GLN 75 Ca 0.20 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.79 3h8c h GLN 75 Cb 0.03 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 3h8c h GLN 75 CO -0.03 -0.12 0.01 -0.92 -2.65 0.00 0.00 178.83 175.12 3h8c h TYR 76 N -0.19 -0.01 -0.08 3.99 3.20 -1.00 0.25 116.97 123.14 3h8c h TYR 76 Ca 0.05 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3h8c h TYR 76 Cb 0.25 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3h8c h TYR 76 CO -0.18 -0.07 0.07 0.28 -1.64 0.00 0.00 178.16 176.61 3h8c h VAL 77 N 0.12 0.81 0.03 1.81 2.07 -0.50 0.16 116.25 120.74 3h8c h VAL 77 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 3h8c h VAL 77 Cb 0.28 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3h8c h VAL 77 CO -0.33 0.00 -0.25 -0.61 0.02 0.00 0.00 177.57 176.40 3h8c h GLN 78 N 0.00 0.12 0.00 1.57 4.15 0.14 -2.83 115.11 118.26 3h8c h GLN 78 Ca 0.04 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3h8c h GLN 78 Cb 0.18 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 3h8c h GLN 78 CO -0.00 1.01 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.46 3h8c h ASP 79 N -0.70 0.00 0.16 -0.69 3.32 -0.35 -2.96 116.42 115.20 3h8c h ASP 79 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3h8c h ASP 79 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3h8c h ASP 79 CO 0.05 0.01 -0.85 -3.20 -1.72 0.00 0.00 179.24 173.53 3h8c n ASN 80 N -3.11 0.84 -3.30 6.45 5.15 0.01 -5.02 115.26 116.28 3h8c n ASN 80 Ca 0.01 -0.76 -0.10 0.00 -0.60 0.00 0.00 54.58 53.13 3h8c n ASN 80 Cb 0.33 0.77 0.01 0.00 -0.53 0.00 0.00 39.78 40.36 3h8c n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h8c n GLY 81 N 1.50 -1.22 0.00 8.20 0.00 -1.08 -4.92 105.19 107.67 3h8c n GLY 81 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3h8c n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 82 N -1.68 3.06 3.31 -0.02 0.00 -1.16 -5.04 105.19 103.66 3h8c n GLY 82 Ca -0.08 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 3h8c n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h8c s LEU 83 N 0.00 -0.18 0.42 0.99 2.96 -0.66 -4.77 118.68 117.45 3h8c s LEU 83 Ca 0.00 0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 54.62 3h8c s LEU 83 Cb 0.00 1.46 -0.08 0.00 0.50 0.00 0.00 46.19 48.07 3h8c s LEU 83 CO 0.00 -0.20 1.28 -1.81 -1.32 0.00 0.00 176.35 174.30 3h8c s ASP 84 N 1.42 6.21 0.93 3.68 1.01 -1.26 -1.12 116.67 127.54 3h8c s ASP 84 Ca -0.10 2.60 -0.11 0.00 0.71 0.00 0.00 52.55 55.66 3h8c s ASP 84 Cb -0.08 -2.63 0.15 0.00 1.01 0.00 0.00 42.92 41.37 3h8c s ASP 84 CO -0.13 -0.91 1.10 -0.94 0.21 0.00 0.00 175.17 174.49 3h8c s SER 85 N -0.86 3.04 0.19 0.27 1.04 -1.17 -2.14 113.70 114.07 3h8c s SER 85 Ca 0.59 1.77 -0.11 0.00 0.48 0.00 0.00 55.95 58.68 3h8c s SER 85 Cb -0.37 -2.38 0.11 0.00 0.10 0.00 0.00 66.02 63.48 3h8c s SER 85 CO 0.46 -2.96 1.78 -0.08 0.98 0.00 0.00 173.24 173.43 3h8c h GLU 86 N -1.77 0.95 0.01 4.02 4.57 -1.08 -1.80 114.58 119.49 3h8c h GLU 86 Ca -0.49 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3h8c h GLU 86 Cb 1.28 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3h8c h GLU 86 CO 0.49 0.75 -0.01 1.49 -1.18 0.00 0.00 179.01 180.56 3h8c h GLU 87 N 0.91 -0.02 -0.70 1.92 4.81 -1.92 -2.15 114.58 117.45 3h8c h GLU 87 Ca 0.23 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3h8c h GLU 87 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3h8c h GLU 87 CO -0.03 -0.01 0.22 0.66 -0.73 0.00 0.00 179.01 179.12 3h8c h SER 88 N -0.02 1.00 -2.67 1.04 4.64 -1.91 -3.32 113.55 112.31 3h8c h SER 88 Ca -0.00 -0.18 -0.61 0.00 -0.47 0.00 0.00 61.79 60.53 3h8c h SER 88 Cb 0.02 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 61.43 3h8c h SER 88 CO 0.00 0.93 -0.65 0.00 -0.87 0.00 0.00 176.83 176.24 3h8c n TYR 89 N -4.26 2.78 -1.50 4.77 4.19 -0.69 -5.01 117.16 117.44 3h8c n TYR 89 Ca 0.06 -4.13 -0.37 0.00 3.31 0.00 0.00 57.90 56.77 3h8c n TYR 89 Cb 0.22 -0.50 0.07 0.00 0.49 0.00 0.00 39.34 39.62 3h8c n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3h8c n PRO 90 N 1.65 0.71 -2.86 2.98 -0.04 -0.82 -4.57 135.00 132.06 3h8c n PRO 90 Ca 0.24 0.29 -0.41 0.00 -0.04 0.00 0.00 63.50 63.59 3h8c n PRO 90 Cb 0.39 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 3h8c n PRO 90 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h8c s TYR 91 N -1.65 3.73 0.00 0.54 5.04 -1.26 -4.71 117.35 119.03 3h8c s TYR 91 Ca 0.76 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.98 3h8c s TYR 91 Cb -0.37 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 38.99 3h8c s TYR 91 CO 0.48 0.18 0.73 0.39 -1.34 0.00 0.00 175.55 175.98 3h8c n GLU 92 N 3.10 1.14 -4.09 4.97 1.02 -1.26 -5.02 120.64 120.50 3h8c n GLU 92 Ca 0.01 -0.98 -0.33 0.00 -0.02 0.00 0.00 57.16 55.84 3h8c n GLU 92 Cb 0.50 -0.94 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 3h8c n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h8c n ALA 93 N -0.25 -1.38 -3.57 0.62 0.00 -1.26 -4.92 120.51 109.75 3h8c n ALA 93 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 3h8c n ALA 93 Cb 0.17 -3.49 -0.05 0.00 0.00 0.00 0.00 19.45 16.09 3h8c n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h8c s THR 94 N -3.39 0.00 -0.21 0.00 -1.32 -1.26 -4.69 115.64 104.76 3h8c s THR 94 Ca 0.61 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.80 3h8c s THR 94 Cb -0.32 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.67 3h8c s THR 94 CO 0.89 0.00 1.04 -0.70 -2.21 0.00 0.00 174.62 173.64 3h8c s GLU 95 N -1.34 4.28 0.17 7.08 2.12 -1.26 -4.97 118.70 124.78 3h8c s GLU 95 Ca -0.01 1.37 0.01 0.00 0.36 0.00 0.00 54.97 56.70 3h8c s GLU 95 Cb -0.01 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3h8c s GLU 95 CO 0.00 -0.60 0.05 0.39 -0.54 0.00 0.00 175.26 174.57 3h8c n GLU 96 N 6.18 1.45 -2.81 4.30 -0.58 -1.26 -5.10 120.64 122.83 3h8c n GLU 96 Ca 0.12 -1.19 -0.35 0.00 -0.42 0.00 0.00 57.16 55.32 3h8c n GLU 96 Cb 0.46 0.25 -0.07 0.00 -0.57 0.00 0.00 31.44 31.51 3h8c n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h8c s SER 97 N -1.98 7.12 0.19 1.62 1.04 -1.26 -4.71 113.70 115.72 3h8c s SER 97 Ca 0.04 1.75 -0.32 0.00 0.48 0.00 0.00 55.95 57.90 3h8c s SER 97 Cb -0.00 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 3h8c s SER 97 CO 0.02 -0.22 1.64 0.00 0.98 0.00 0.00 173.24 175.67 3h8c n LYS 99 N 3.94 0.53 -1.64 0.00 5.02 -1.26 -5.05 118.16 119.69 3h8c n LYS 99 Ca 0.15 -2.43 -0.40 0.00 -2.02 0.00 0.00 58.31 53.60 3h8c n LYS 99 Cb 0.37 -0.55 0.02 0.00 -0.02 0.00 0.00 35.03 34.85 3h8c n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h8c n TYR 100 N -0.05 1.44 -3.48 2.13 9.36 -1.26 -5.00 117.16 120.30 3h8c n TYR 100 Ca 0.10 0.52 -0.21 0.00 3.32 0.00 0.00 57.90 61.63 3h8c n TYR 100 Cb 0.99 -2.26 -0.13 0.00 -0.63 0.00 0.00 39.34 37.31 3h8c n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3h8c s ASN 101 N -0.77 2.09 0.51 2.98 3.84 -1.26 -5.02 114.94 117.31 3h8c s ASN 101 Ca 0.65 -0.71 0.37 0.00 0.21 0.00 0.00 52.86 53.38 3h8c s ASN 101 Cb -0.51 0.20 1.53 0.00 -0.55 0.00 0.00 41.25 41.92 3h8c s ASN 101 CO 0.55 -0.38 1.70 -0.65 -2.79 0.00 0.00 177.10 175.53 3h8c h PRO 102 N 8.33 0.06 0.00 0.43 0.11 -1.96 0.46 132.00 139.43 3h8c h PRO 102 Ca -0.16 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3h8c h PRO 102 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3h8c h PRO 102 CO 0.34 0.04 -0.00 -0.22 -0.21 0.00 0.00 178.00 177.95 3h8c h LYS 103 N 0.06 0.00 -0.01 1.05 3.64 -2.01 -2.59 116.57 116.70 3h8c h LYS 103 Ca 0.73 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.11 3h8c h LYS 103 Cb 2.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 3h8c h LYS 103 CO -0.13 0.00 -0.07 0.66 -2.27 0.00 0.00 179.45 177.65 3h8c n TYR 104 N -3.48 0.00 -1.71 1.91 4.01 0.16 -5.00 117.16 113.05 3h8c n TYR 104 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 3h8c n TYR 104 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3h8c n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h8c n SER 105 N 0.46 3.65 0.00 7.72 2.88 -0.98 -3.01 113.62 124.34 3h8c n SER 105 Ca 0.07 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 3h8c n SER 105 Cb 0.30 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 3h8c n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h8c n VAL 106 N 3.35 0.22 -3.90 2.46 0.24 -0.28 -4.87 118.33 115.56 3h8c n VAL 106 Ca 0.15 -0.53 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 3h8c n VAL 106 Cb 0.33 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.67 3h8c n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h8c s ALA 107 N -0.22 -0.51 -0.21 2.33 0.00 -1.21 -5.00 121.76 116.94 3h8c s ALA 107 Ca 0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 51.96 51.03 3h8c s ALA 107 Cb 0.00 0.95 0.15 0.00 0.00 0.00 0.00 23.12 24.22 3h8c s ALA 107 CO 0.00 -0.82 1.20 1.21 0.00 0.00 0.00 175.76 177.36 3h8c s ASN 108 N -2.95 -0.16 0.36 0.00 3.04 -1.26 -1.65 114.94 112.31 3h8c s ASN 108 Ca 0.16 0.11 0.04 0.00 0.04 0.00 0.00 52.86 53.22 3h8c s ASN 108 Cb -0.01 0.15 -0.03 0.00 -1.54 0.00 0.00 41.25 39.82 3h8c s ASN 108 CO 0.03 -0.19 0.17 1.51 -3.04 0.00 0.00 177.10 175.58 3h8c s ASP 109 N -1.49 2.11 -0.34 -4.21 1.47 -1.26 -4.54 116.67 108.41 3h8c s ASP 109 Ca 0.06 -1.66 0.15 0.00 1.18 0.00 0.00 52.55 52.29 3h8c s ASP 109 Cb -0.01 0.48 0.46 0.00 -0.34 0.00 0.00 42.92 43.50 3h8c s ASP 109 CO -0.04 -0.95 1.02 1.07 0.68 0.00 0.00 175.17 176.95 3h8c n THR 110 N -0.73 1.44 0.00 2.11 5.66 0.73 -4.50 114.28 118.99 3h8c n THR 110 Ca -0.00 -3.56 0.00 0.00 -3.05 0.00 0.00 64.05 57.44 3h8c n THR 110 Cb 0.64 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 3h8c n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h8c n GLY 111 N -0.26 0.49 3.63 1.09 0.00 -1.25 -4.82 105.19 104.07 3h8c n GLY 111 Ca 0.18 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.90 3h8c n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8c s PHE 112 N -0.04 -0.28 -0.23 1.61 -0.71 -1.26 -1.83 117.98 115.23 3h8c s PHE 112 Ca 0.00 0.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.94 3h8c s PHE 112 Cb 0.00 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.46 3h8c s PHE 112 CO 0.00 -0.79 -0.11 0.08 -1.34 0.00 0.00 175.22 173.06 3h8c s VAL 113 N -3.38 1.98 -0.17 -2.49 1.01 0.23 -4.89 120.40 112.68 3h8c s VAL 113 Ca 0.08 -1.37 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 3h8c s VAL 113 Cb -0.02 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3h8c s VAL 113 CO -0.04 0.08 1.11 -1.81 0.00 0.00 0.00 175.10 174.44 3h8c s ASP 114 N 1.22 7.08 0.26 3.32 1.01 -1.26 -2.83 116.67 125.47 3h8c s ASP 114 Ca -0.05 1.54 -0.28 0.00 0.71 0.00 0.00 52.55 54.47 3h8c s ASP 114 Cb -0.18 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.11 3h8c s ASP 114 CO -0.07 -0.65 0.92 -0.63 0.21 0.00 0.00 175.17 174.95 3h8c s ILE 115 N 2.96 4.17 0.30 0.77 1.01 -0.98 -5.00 121.20 124.44 3h8c s ILE 115 Ca 0.49 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.77 3h8c s ILE 115 Cb -0.18 -4.18 -0.13 0.00 0.01 0.00 0.00 42.46 37.98 3h8c s ILE 115 CO 0.12 0.36 1.25 -2.65 0.00 0.00 0.00 174.94 174.02 3h8c n PRO 116 N 1.13 1.89 -0.52 2.79 -0.02 -1.26 -4.68 135.00 134.33 3h8c n PRO 116 Ca -0.01 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3h8c n PRO 116 Cb 0.48 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3h8c n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h8c n LYS 117 N 1.00 1.23 -4.19 -0.52 5.02 -1.26 -4.55 118.16 114.88 3h8c n LYS 117 Ca 0.08 -0.76 -0.17 0.00 -2.02 0.00 0.00 58.31 55.44 3h8c n LYS 117 Cb 0.33 -1.96 -0.15 0.00 -0.02 0.00 0.00 35.03 33.24 3h8c n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h8c s GLN 118 N 2.61 0.57 0.46 1.97 1.11 -1.26 -4.80 119.66 120.32 3h8c s GLN 118 Ca 0.32 -0.18 0.15 0.00 0.01 0.00 0.00 55.36 55.65 3h8c s GLN 118 Cb 0.13 -0.57 1.11 0.00 -1.01 0.00 0.00 33.01 32.67 3h8c s GLN 118 CO -0.01 0.08 2.04 0.93 0.01 0.00 0.00 175.29 178.34 3h8c h GLU 119 N 6.31 0.27 -0.36 2.91 5.08 -1.86 0.29 114.58 127.22 3h8c h GLU 119 Ca -0.32 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3h8c h GLU 119 Cb 1.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3h8c h GLU 119 CO 0.49 0.18 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.35 3h8c h LYS 120 N 0.28 0.63 -0.46 2.33 3.64 -1.96 -1.08 116.57 119.95 3h8c h LYS 120 Ca 0.18 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 3h8c h LYS 120 Cb 0.34 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3h8c h LYS 120 CO -0.04 0.73 -0.20 0.00 -2.27 0.00 0.00 179.45 177.67 3h8c h ALA 121 N 1.30 0.65 -0.50 5.00 0.00 -1.27 -2.91 119.26 121.53 3h8c h ALA 121 Ca 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3h8c h ALA 121 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3h8c h ALA 121 CO 0.03 0.62 0.20 1.25 0.00 0.00 0.00 179.25 181.35 3h8c h LEU 122 N 0.80 0.69 -1.48 0.00 5.85 -0.90 -2.74 115.31 117.54 3h8c h LEU 122 Ca 0.11 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3h8c h LEU 122 Cb 0.77 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3h8c h LEU 122 CO 0.06 0.68 0.48 -0.03 -0.34 0.00 0.00 178.44 179.29 3h8c h MET 123 N 0.67 0.56 0.09 1.25 4.05 -1.07 0.08 114.93 120.55 3h8c h MET 123 Ca 0.17 -0.03 -0.27 0.00 -0.28 0.00 0.00 59.70 59.28 3h8c h MET 123 Cb 0.20 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3h8c h MET 123 CO -0.01 0.37 -1.15 0.87 0.23 0.00 0.00 176.91 177.22 3h8c h LYS 124 N 0.58 0.44 -0.37 0.39 1.57 -1.32 -0.96 116.57 116.90 3h8c h LYS 124 Ca 0.33 -0.59 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3h8c h LYS 124 Cb 0.53 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3h8c h LYS 124 CO -0.12 1.24 0.04 0.00 -0.57 0.00 0.00 179.45 180.05 3h8c h ALA 125 N 0.53 0.49 -0.31 3.86 0.00 -1.11 0.27 119.26 123.00 3h8c h ALA 125 Ca -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3h8c h ALA 125 Cb 1.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3h8c h ALA 125 CO 0.20 0.22 0.14 0.28 0.00 0.00 0.00 179.25 180.09 3h8c h VAL 126 N 0.45 1.16 -0.00 0.00 2.07 -1.04 0.55 116.25 119.44 3h8c h VAL 126 Ca 0.11 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3h8c h VAL 126 Cb 0.39 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3h8c h VAL 126 CO 0.01 0.17 -0.49 0.00 0.02 0.00 0.00 177.57 177.27 3h8c h ALA 127 N 1.00 1.18 -0.08 1.67 0.00 -1.00 -3.19 119.26 118.84 3h8c h ALA 127 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3h8c h ALA 127 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h8c h ALA 127 CO -0.01 0.62 0.00 0.25 0.00 0.00 0.00 179.25 180.11 3h8c n THR 128 N -3.95 0.52 0.00 0.00 -2.24 0.95 -4.81 114.28 104.74 3h8c n THR 128 Ca -0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3h8c n THR 128 Cb 0.51 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3h8c n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h8c n VAL 129 N 0.09 0.00 0.00 2.28 0.31 0.19 -5.01 118.33 116.19 3h8c n VAL 129 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3h8c n VAL 129 Cb 0.22 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3h8c n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8c n GLY 130 N 2.69 0.65 3.70 2.92 0.00 -1.18 -4.90 105.19 109.05 3h8c n GLY 130 Ca 0.00 -2.06 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 3h8c n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h8c n PRO 131 N 0.00 2.40 -4.97 1.61 -0.02 -1.26 -4.39 135.00 128.37 3h8c n PRO 131 Ca 0.00 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.02 3h8c n PRO 131 Cb 0.00 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 30.69 3h8c n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8c s ILE 132 N 0.64 2.68 0.10 4.25 -1.09 -0.63 -4.69 121.20 122.46 3h8c s ILE 132 Ca 0.73 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 3h8c s ILE 132 Cb -0.59 -2.07 -0.06 0.00 -1.58 0.00 0.00 42.46 38.16 3h8c s ILE 132 CO 0.40 0.55 1.14 -0.44 -1.23 0.00 0.00 174.94 175.36 3h8c s SER 133 N 0.06 7.18 0.19 3.58 0.01 -0.61 -1.01 113.70 123.09 3h8c s SER 133 Ca -0.07 2.00 -0.04 0.00 1.31 0.00 0.00 55.95 59.15 3h8c s SER 133 Cb -0.15 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3h8c s SER 133 CO 0.05 -0.36 0.20 0.68 0.41 0.00 0.00 173.24 174.22 3h8c s VAL 134 N 0.57 0.03 -0.07 3.43 -7.23 -0.46 -1.15 120.40 115.52 3h8c s VAL 134 Ca 0.54 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 3h8c s VAL 134 Cb -0.28 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3h8c s VAL 134 CO 0.31 -0.12 -0.18 0.00 -0.31 0.00 0.00 175.10 174.80 3h8c s ALA 135 N -4.09 1.65 0.31 1.32 0.00 -1.26 0.02 121.76 119.72 3h8c s ALA 135 Ca 0.31 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.63 3h8c s ALA 135 Cb 0.05 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 3h8c s ALA 135 CO 0.08 0.23 -0.02 0.96 0.00 0.00 0.00 175.76 177.01 3h8c s ILE 136 N 0.33 1.61 -0.47 0.00 -4.36 0.03 -3.91 121.20 114.42 3h8c s ILE 136 Ca -0.12 -2.08 -0.22 0.00 -0.26 0.00 0.00 60.65 57.97 3h8c s ILE 136 Cb -0.15 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.96 3h8c s ILE 136 CO 0.05 -0.17 0.78 -0.62 0.24 0.00 0.00 174.94 175.21 3h8c s ASP 137 N -3.50 6.36 -0.15 4.36 -1.08 -0.94 -1.56 116.67 120.16 3h8c s ASP 137 Ca 0.32 -0.28 0.18 0.00 -0.52 0.00 0.00 52.55 52.25 3h8c s ASP 137 Cb 0.06 -2.37 0.36 0.00 -1.46 0.00 0.00 42.92 39.50 3h8c s ASP 137 CO 0.14 -0.95 1.22 0.00 0.52 0.00 0.00 175.17 176.10 3h8c n ALA 138 N 6.73 2.51 0.58 3.66 0.00 -1.26 -4.76 120.51 127.96 3h8c n ALA 138 Ca 0.01 -2.58 -0.04 0.00 0.00 0.00 0.00 53.44 50.84 3h8c n ALA 138 Cb 0.48 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.48 3h8c n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8c n GLY 139 N -1.20 2.40 3.18 0.00 0.00 -1.26 -4.68 105.19 103.64 3h8c n GLY 139 Ca 0.18 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3h8c n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h8c s HIS 140 N -0.47 2.18 0.51 1.61 3.76 -1.26 -5.01 115.29 116.60 3h8c s HIS 140 Ca 0.08 -0.77 0.32 0.00 -0.15 0.00 0.00 55.06 54.54 3h8c s HIS 140 Cb 0.07 -1.46 1.44 0.00 1.11 0.00 0.00 32.58 33.73 3h8c s HIS 140 CO 0.01 -0.29 1.80 1.05 -0.85 0.00 0.00 174.74 176.46 3h8c h GLU 141 N 6.48 0.10 -0.64 1.40 4.11 -2.00 0.22 114.58 124.24 3h8c h GLU 141 Ca -0.27 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.10 3h8c h GLU 141 Cb 1.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3h8c h GLU 141 CO 0.47 0.06 0.17 0.66 0.07 0.00 0.00 179.01 180.45 3h8c h SER 142 N 0.10 0.94 -0.19 3.06 4.64 -1.95 -1.39 113.55 118.76 3h8c h SER 142 Ca 0.56 -0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.64 3h8c h SER 142 Cb 2.04 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.88 3h8c h SER 142 CO -0.09 0.90 -0.14 0.15 -0.87 0.00 0.00 176.83 176.78 3h8c h PHE 143 N 0.96 0.50 -0.99 4.77 3.57 -0.90 -0.94 116.94 123.91 3h8c h PHE 143 Ca 0.21 -0.14 0.13 0.00 3.53 0.00 0.00 57.97 61.70 3h8c h PHE 143 Cb 0.32 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.86 3h8c h PHE 143 CO 0.02 0.76 0.62 1.25 -2.23 0.00 0.00 178.31 178.73 3h8c h LEU 144 N 0.10 0.89 -3.70 0.59 5.85 -1.22 -1.51 115.31 116.31 3h8c h LEU 144 Ca 0.04 0.06 -0.33 0.00 0.84 0.00 0.00 57.88 58.48 3h8c h LEU 144 Cb 0.65 -0.12 -0.19 0.00 0.37 0.00 0.00 40.66 41.37 3h8c h LEU 144 CO 0.04 0.45 0.31 0.49 -0.34 0.00 0.00 178.44 179.39 3h8c n PHE 145 N -4.65 2.21 -2.07 1.25 3.72 -0.55 -4.86 117.46 112.51 3h8c n PHE 145 Ca 0.19 -1.60 -0.42 0.00 -0.05 0.00 0.00 57.45 55.57 3h8c n PHE 145 Cb 0.38 -0.72 -0.03 0.00 -0.94 0.00 0.00 39.48 38.17 3h8c n PHE 145 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3h8c s TYR 146 N -3.20 3.15 -0.19 1.38 5.04 -0.37 -4.90 117.35 118.25 3h8c s TYR 146 Ca 0.52 0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 55.98 3h8c s TYR 146 Cb 0.44 -3.78 -0.10 0.00 0.35 0.00 0.00 41.96 38.87 3h8c s TYR 146 CO 0.08 -2.73 -0.22 1.63 -1.34 0.00 0.00 175.55 172.97 3h8c n LYS 147 N 3.54 0.44 -3.61 4.97 5.02 -1.26 -3.15 118.16 124.12 3h8c n LYS 147 Ca 0.11 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 3h8c n LYS 147 Cb 0.41 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 3h8c n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h8c s GLU 148 N -2.37 0.23 0.00 1.97 4.04 -1.26 -3.34 118.70 117.96 3h8c s GLU 148 Ca -0.27 -0.10 0.00 0.00 0.04 0.00 0.00 54.97 54.65 3h8c s GLU 148 Cb 0.09 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.34 3h8c s GLU 148 CO 0.39 -0.10 0.00 0.41 -1.84 0.00 0.00 175.26 174.12 3h8c n GLY 149 N -0.16 -0.66 3.50 -3.83 0.00 -1.26 -4.91 105.19 97.87 3h8c n GLY 149 Ca -0.00 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 3h8c n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8c s ILE 150 N 0.00 5.07 0.17 -0.61 1.01 -1.26 -3.88 121.20 121.70 3h8c s ILE 150 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.13 3h8c s ILE 150 Cb 0.00 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 3h8c s ILE 150 CO 0.00 -0.39 1.34 -0.47 0.00 0.00 0.00 174.94 175.42 3h8c s TYR 151 N 2.20 3.24 -0.13 3.97 5.04 0.18 -4.80 117.35 127.05 3h8c s TYR 151 Ca 0.13 1.12 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 3h8c s TYR 151 Cb -0.17 -3.64 0.07 0.00 0.35 0.00 0.00 41.96 38.57 3h8c s TYR 151 CO 0.14 -2.08 0.23 0.12 -1.34 0.00 0.00 175.55 172.61 3h8c s PHE 152 N 0.44 -0.33 -0.36 4.97 5.36 -1.26 -1.39 117.98 125.41 3h8c s PHE 152 Ca 0.59 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 3h8c s PHE 152 Cb -0.37 -0.16 0.10 0.00 -0.34 0.00 0.00 43.02 42.25 3h8c s PHE 152 CO 0.36 -0.38 0.09 -2.00 -1.46 0.00 0.00 175.22 171.82 3h8c s GLU 153 N 2.37 1.77 0.00 10.12 2.56 -1.26 -4.95 118.70 129.31 3h8c s GLU 153 Ca 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 54.97 53.22 3h8c s GLU 153 Cb -0.13 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.69 3h8c s GLU 153 CO -0.08 -0.94 0.35 -0.35 -0.56 0.00 0.00 175.26 173.68 3h8c n PRO 154 N 4.40 0.36 0.00 4.30 -0.04 -1.26 -0.39 135.00 142.37 3h8c n PRO 154 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3h8c n PRO 154 Cb 0.42 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3h8c n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h8c n ASP 155 N -0.49 0.54 -4.77 3.54 2.03 -1.26 -5.05 116.55 111.10 3h8c n ASP 155 Ca 0.00 -0.79 -0.41 0.00 0.52 0.00 0.00 54.79 54.11 3h8c n ASP 155 Cb 0.00 0.31 -0.01 0.00 -0.72 0.00 0.00 41.12 40.70 3h8c n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h8c s SER 157 N -0.06 6.70 0.00 0.00 0.15 -1.26 -4.64 113.70 114.59 3h8c s SER 157 Ca 0.54 0.83 0.26 0.00 0.70 0.00 0.00 55.95 58.28 3h8c s SER 157 Cb -0.44 -2.21 0.57 0.00 -1.71 0.00 0.00 66.02 62.23 3h8c s SER 157 CO 0.54 0.30 1.47 -1.54 1.20 0.00 0.00 173.24 175.21 3h8c n SER 158 N 2.10 2.12 -0.00 5.45 3.41 -1.26 -3.74 113.62 121.69 3h8c n SER 158 Ca -0.14 -1.65 0.03 0.00 -0.26 0.00 0.00 58.87 56.85 3h8c n SER 158 Cb 0.53 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3h8c n SER 158 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3h8c n GLU 159 N 0.56 1.57 -3.49 4.33 0.28 -1.26 -4.22 120.64 118.41 3h8c n GLU 159 Ca 0.15 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.16 56.85 3h8c n GLU 159 Cb 0.47 -1.03 -0.09 0.00 1.43 0.00 0.00 31.44 32.22 3h8c n GLU 159 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3h8c n ASP 160 N -1.54 3.12 -4.75 -1.84 5.68 -1.26 -5.07 116.55 110.89 3h8c n ASP 160 Ca -0.00 -3.29 -0.41 0.00 -0.50 0.00 0.00 54.79 50.59 3h8c n ASP 160 Cb 0.13 -0.68 -0.04 0.00 -1.14 0.00 0.00 41.12 39.39 3h8c n ASP 160 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3h8c s MET 161 N -2.08 4.64 0.00 0.11 -1.94 -1.26 -4.62 119.30 114.16 3h8c s MET 161 Ca 0.36 1.73 0.00 0.00 -1.71 0.00 0.00 55.69 56.07 3h8c s MET 161 Cb 0.11 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.71 3h8c s MET 161 CO -0.06 0.18 0.27 -0.40 -0.01 0.00 0.00 175.02 175.00 3h8c n ASP 162 N 1.79 0.54 -3.92 3.03 5.68 -0.60 -4.88 116.55 118.18 3h8c n ASP 162 Ca 0.01 -0.83 -0.28 0.00 -0.50 0.00 0.00 54.79 53.19 3h8c n ASP 162 Cb 0.46 0.21 -0.17 0.00 -1.14 0.00 0.00 41.12 40.48 3h8c n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3h8c s HIS 163 N -0.21 1.71 0.26 2.11 5.04 -0.66 -4.95 115.29 118.59 3h8c s HIS 163 Ca 0.00 -0.97 -0.26 0.00 -1.54 0.00 0.00 55.06 52.30 3h8c s HIS 163 Cb 0.00 -1.34 -0.09 0.00 0.04 0.00 0.00 32.58 31.19 3h8c s HIS 163 CO 0.00 -0.58 0.88 0.20 -2.34 0.00 0.00 174.74 172.90 3h8c s GLY 164 N 1.63 2.87 0.24 1.59 0.00 -1.26 -0.79 107.32 111.60 3h8c s GLY 164 Ca 0.03 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.18 3h8c s GLY 164 CO -0.08 0.93 0.37 3.33 0.00 0.00 0.00 173.10 177.64 3h8c n VAL 165 N 0.99 0.00 -4.35 1.40 0.24 0.10 -4.72 118.33 112.00 3h8c n VAL 165 Ca -0.01 -1.03 -0.30 0.00 -2.04 0.00 0.00 64.34 60.96 3h8c n VAL 165 Cb 0.49 0.70 -0.17 0.00 -1.47 0.00 0.00 33.84 33.39 3h8c n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h8c s LEU 166 N 0.00 1.82 -0.32 1.34 2.96 -0.88 -1.36 118.68 122.25 3h8c s LEU 166 Ca 0.17 -0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 53.39 3h8c s LEU 166 Cb -0.01 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.45 3h8c s LEU 166 CO 0.12 0.01 0.58 -0.69 -1.32 0.00 0.00 176.35 175.05 3h8c s VAL 167 N 1.12 4.97 -2.31 1.68 1.01 -0.18 0.95 120.40 127.64 3h8c s VAL 167 Ca -0.02 0.69 0.20 0.00 0.00 0.00 0.00 61.98 62.85 3h8c s VAL 167 Cb -0.14 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.39 3h8c s VAL 167 CO -0.05 -0.14 1.09 1.33 0.00 0.00 0.00 175.10 177.32 3h8c n VAL 168 N 5.39 0.00 -3.69 2.92 0.24 0.48 -1.60 118.33 122.08 3h8c n VAL 168 Ca -0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3h8c n VAL 168 Cb 0.49 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 3h8c n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8c n GLY 169 N 1.14 -0.71 3.56 7.63 0.00 -1.21 -0.56 105.19 115.04 3h8c n GLY 169 Ca 0.11 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.07 3h8c n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h8c s TYR 170 N -3.00 -0.26 0.00 1.61 -0.85 0.11 -0.68 117.35 114.28 3h8c s TYR 170 Ca 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.81 3h8c s TYR 170 Cb 0.00 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3h8c s TYR 170 CO 0.00 -0.35 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 3h8c n GLY 171 N 0.09 2.06 3.54 5.49 0.00 -0.85 0.44 105.19 115.97 3h8c n GLY 171 Ca -0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 3h8c n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8c s PHE 172 N 0.13 -0.44 0.03 1.61 -0.71 -1.26 -1.93 117.98 115.41 3h8c s PHE 172 Ca 0.00 0.65 -0.02 0.00 -1.04 0.00 0.00 56.93 56.52 3h8c s PHE 172 Cb 0.00 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.23 3h8c s PHE 172 CO 0.00 -0.47 0.21 -1.21 -1.34 0.00 0.00 175.22 172.41 3h8c s GLU 173 N -1.66 3.46 -0.59 1.99 2.02 -1.26 -5.02 118.70 117.64 3h8c s GLU 173 Ca -0.02 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 3h8c s GLU 173 Cb -0.00 -3.06 -0.11 0.00 0.10 0.00 0.00 34.13 31.06 3h8c s GLU 173 CO 0.01 0.63 2.37 0.43 0.02 0.00 0.00 175.26 178.72 3h8c n SER 174 N 0.63 4.63 0.00 -0.19 7.64 -1.26 -4.94 113.62 120.14 3h8c n SER 174 Ca -0.08 -2.26 0.00 0.00 1.01 0.00 0.00 58.87 57.54 3h8c n SER 174 Cb 0.52 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3h8c n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h8c n ASN 180 N 3.47 0.00 -4.87 6.43 6.94 -1.26 -5.35 115.26 120.63 3h8c n ASN 180 Ca 0.41 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.60 3h8c n ASN 180 Cb 0.34 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 3h8c n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h8c s LYS 181 N 0.00 3.62 0.06 -3.83 1.02 -1.26 -4.26 119.74 115.08 3h8c s LYS 181 Ca 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 3h8c s LYS 181 Cb 0.00 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 3h8c s LYS 181 CO 0.00 0.71 0.04 1.52 -0.92 0.00 0.00 175.35 176.70 3h8c s TYR 182 N -1.14 0.38 -0.16 3.18 -0.85 -0.81 -0.44 117.35 117.51 3h8c s TYR 182 Ca 0.22 -0.86 -0.07 0.00 -0.52 0.00 0.00 57.07 55.83 3h8c s TYR 182 Cb -0.14 -0.27 -0.04 0.00 0.38 0.00 0.00 41.96 41.89 3h8c s TYR 182 CO 0.11 -0.41 0.08 -1.58 -1.52 0.00 0.00 175.55 172.23 3h8c s TRP 183 N -3.62 3.34 -0.35 -3.49 0.52 0.11 -2.00 118.94 113.46 3h8c s TRP 183 Ca 0.04 0.23 -0.25 0.00 0.02 0.00 0.00 56.10 56.14 3h8c s TRP 183 Cb 0.05 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3h8c s TRP 183 CO -0.09 0.34 0.87 -1.17 0.02 0.00 0.00 176.95 176.92 3h8c s LEU 184 N -0.09 4.05 -0.15 2.99 0.20 0.14 -1.05 118.68 124.77 3h8c s LEU 184 Ca 0.08 0.59 0.02 0.00 0.69 0.00 0.00 54.13 55.51 3h8c s LEU 184 Cb -0.12 -3.18 0.01 0.00 -0.43 0.00 0.00 46.19 42.47 3h8c s LEU 184 CO 0.01 -0.77 -0.21 -0.69 -0.29 0.00 0.00 176.35 174.40 3h8c s VAL 185 N 3.27 2.04 -0.23 1.68 1.01 0.12 -0.39 120.40 127.90 3h8c s VAL 185 Ca 0.36 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 3h8c s VAL 185 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3h8c s VAL 185 CO 0.16 0.54 0.81 -0.75 0.00 0.00 0.00 175.10 175.86 3h8c s LYS 186 N 0.93 4.20 0.48 2.72 2.20 0.27 -1.17 119.74 129.37 3h8c s LYS 186 Ca -0.04 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 3h8c s LYS 186 Cb -0.15 -3.63 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3h8c s LYS 186 CO -0.04 -0.47 0.66 1.21 -0.36 0.00 0.00 175.35 176.35 3h8c s ASN 187 N 1.31 5.50 -0.31 1.43 3.84 -0.13 -2.08 114.94 124.50 3h8c s ASN 187 Ca 0.34 -0.20 0.08 0.00 0.21 0.00 0.00 52.86 53.29 3h8c s ASN 187 Cb -0.15 -0.80 0.46 0.00 -0.55 0.00 0.00 41.25 40.20 3h8c s ASN 187 CO 0.08 -0.92 1.17 -1.54 -2.79 0.00 0.00 177.10 173.10 3h8c n SER 188 N -2.08 4.55 -0.47 -4.21 3.41 -1.26 -4.55 113.62 109.01 3h8c n SER 188 Ca 0.07 -3.58 0.05 0.00 -0.26 0.00 0.00 58.87 55.15 3h8c n SER 188 Cb 0.59 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 64.30 3h8c n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h8c n TRP 189 N -0.65 0.39 0.00 7.33 8.01 -1.22 -1.10 117.44 130.19 3h8c n TRP 189 Ca 0.39 -0.60 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3h8c n TRP 189 Cb 0.90 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 30.11 3h8c n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h8c n GLY 190 N -0.07 1.31 0.11 6.99 0.00 -0.73 -4.55 105.19 108.24 3h8c n GLY 190 Ca 0.11 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.30 3h8c n GLY 190 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h8c h GLU 191 N 0.00 0.00 0.00 1.61 4.11 -1.84 -3.13 114.58 115.32 3h8c h GLU 191 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h8c h GLU 191 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3h8c h GLU 191 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.01 3h8c h GLU 192 N 0.00 0.00 -6.78 1.06 4.39 -1.87 -3.04 114.58 108.34 3h8c h GLU 192 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 3h8c h GLU 192 Cb 0.76 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 3h8c h GLU 192 CO 0.00 0.00 0.34 -0.46 -1.16 0.00 0.00 179.01 177.73 3h8c s TRP 193 N -3.48 3.92 0.00 4.33 -0.00 -1.18 -4.83 118.94 117.69 3h8c s TRP 193 Ca 0.04 1.88 0.00 0.00 -0.00 0.00 0.00 56.10 58.02 3h8c s TRP 193 Cb 0.08 -2.96 0.00 0.00 -0.00 0.00 0.00 33.47 30.59 3h8c s TRP 193 CO 0.57 0.40 0.00 0.41 -0.00 0.00 0.00 176.95 178.33 3h8c n GLY 194 N 1.27 2.34 2.92 5.86 0.00 -1.19 0.10 105.19 116.48 3h8c n GLY 194 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3h8c n GLY 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h8c n MET 195 N 14.00 3.70 -1.90 1.61 2.81 -0.43 -4.41 117.12 132.51 3h8c n MET 195 Ca 0.00 -3.66 -0.09 0.00 -1.81 0.00 0.00 57.70 52.14 3h8c n MET 195 Cb 0.00 -2.88 -0.02 0.00 -0.71 0.00 0.00 33.22 29.61 3h8c n MET 195 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h8c n GLY 196 N 2.71 0.33 0.59 3.03 0.00 -1.18 -2.61 105.19 108.06 3h8c n GLY 196 Ca 0.38 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3h8c n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 197 N -1.27 0.61 3.65 -0.02 0.00 0.28 -4.52 105.19 103.92 3h8c n GLY 197 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3h8c n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8c s TYR 198 N -2.39 2.70 -0.01 1.61 1.51 -1.07 -0.95 117.35 118.75 3h8c s TYR 198 Ca 0.00 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 3h8c s TYR 198 Cb 0.00 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 3h8c s TYR 198 CO 0.00 0.59 0.06 0.54 -1.11 0.00 0.00 175.55 175.63 3h8c s VAL 199 N -2.34 0.04 -0.31 0.71 0.11 -0.31 -1.31 120.40 116.99 3h8c s VAL 199 Ca 0.32 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 3h8c s VAL 199 Cb -0.06 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3h8c s VAL 199 CO 0.20 -0.20 0.19 -0.54 -3.33 0.00 0.00 175.10 171.43 3h8c s LYS 200 N -0.61 3.53 -0.05 1.54 1.02 -1.25 -0.71 119.74 123.22 3h8c s LYS 200 Ca -0.07 -0.60 0.02 0.00 0.02 0.00 0.00 55.97 55.34 3h8c s LYS 200 Cb -0.04 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 3h8c s LYS 200 CO 0.00 -0.37 -0.07 -1.64 -0.92 0.00 0.00 175.35 172.35 3h8c s MET 201 N 1.69 2.69 -0.32 1.68 -1.94 -0.22 0.50 119.30 123.39 3h8c s MET 201 Ca 0.06 -0.60 -0.44 0.00 -1.71 0.00 0.00 55.69 53.00 3h8c s MET 201 Cb -0.17 -2.57 -0.19 0.00 2.01 0.00 0.00 34.83 33.91 3h8c s MET 201 CO 0.09 0.65 1.48 0.00 -0.01 0.00 0.00 175.02 177.22 3h8c n ALA 202 N 2.03 -1.75 -2.58 3.03 0.00 -0.48 0.09 120.51 120.85 3h8c n ALA 202 Ca -0.17 0.51 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3h8c n ALA 202 Cb 0.53 -1.93 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 3h8c n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h8c s LYS 203 N 2.21 2.55 -1.48 0.00 2.20 0.41 -4.56 119.74 121.07 3h8c s LYS 203 Ca 1.00 -0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 55.83 3h8c s LYS 203 Cb -1.36 -2.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 3h8c s LYS 203 CO 0.72 0.61 0.77 -0.25 -0.36 0.00 0.00 175.35 176.84 3h8c n ASP 204 N 1.69 -5.88 -2.69 1.43 8.00 -1.26 -4.61 116.55 113.22 3h8c n ASP 204 Ca -0.16 -0.40 -0.29 0.00 0.71 0.00 0.00 54.79 54.65 3h8c n ASP 204 Cb 0.53 -4.72 -0.01 0.00 -0.02 0.00 0.00 41.12 36.90 3h8c n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h8c n ARG 205 N -4.31 3.40 -3.18 -1.24 5.12 -1.26 -4.89 116.66 110.30 3h8c n ARG 205 Ca -0.06 -4.52 -0.14 0.00 -1.93 0.00 0.00 57.85 51.20 3h8c n ARG 205 Cb 0.59 -2.26 0.07 0.00 -1.16 0.00 0.00 32.46 29.71 3h8c n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h8c n ARG 206 N -0.41 -5.22 -3.68 5.56 1.74 -1.26 -3.51 116.66 109.88 3h8c n ARG 206 Ca 0.39 0.72 -0.25 0.00 -0.77 0.00 0.00 57.85 57.94 3h8c n ARG 206 Cb 0.53 -5.33 0.01 0.00 -1.02 0.00 0.00 32.46 26.65 3h8c n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h8c n ASN 207 N -2.82 -5.36 -4.67 0.55 5.15 -1.26 -4.79 115.26 102.06 3h8c n ASN 207 Ca -0.23 -0.87 -0.42 0.00 -0.60 0.00 0.00 54.58 52.47 3h8c n ASN 207 Cb 0.64 -2.61 -0.03 0.00 -0.53 0.00 0.00 39.78 37.25 3h8c n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3h8c s HIS 208 N -3.15 1.83 -1.52 1.20 5.65 -1.23 -1.29 115.29 116.79 3h8c s HIS 208 Ca 0.15 -0.09 0.00 0.00 0.25 0.00 0.00 55.06 55.37 3h8c s HIS 208 Cb -0.07 -4.12 0.00 0.00 -1.18 0.00 0.00 32.58 27.21 3h8c s HIS 208 CO 0.88 -4.77 0.00 0.00 -0.65 0.00 0.00 174.74 170.19 3h8c n GLY 210 N -0.67 0.42 0.44 0.00 0.00 -0.41 -2.22 105.19 102.75 3h8c n GLY 210 Ca -0.14 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.13 3h8c n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h8c h ILE 211 N 0.00 0.61 -0.55 -0.61 2.10 -1.65 0.15 117.51 117.57 3h8c h ILE 211 Ca -0.47 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.45 3h8c h ILE 211 Cb 1.36 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 3h8c h ILE 211 CO 0.59 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.67 3h8c n ALA 212 N -2.67 2.41 0.38 0.18 0.00 -1.26 -4.34 120.51 115.20 3h8c n ALA 212 Ca 0.16 -1.08 0.12 0.00 0.00 0.00 0.00 53.44 52.64 3h8c n ALA 212 Cb 0.84 -0.93 0.15 0.00 0.00 0.00 0.00 19.45 19.51 3h8c n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h8c h SER 213 N 4.06 0.00 -0.41 0.00 0.02 -0.98 -3.35 113.55 112.88 3h8c h SER 213 Ca 0.00 -0.08 -0.24 0.00 -0.84 0.00 0.00 61.79 60.63 3h8c h SER 213 Cb 0.91 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 3h8c h SER 213 CO 0.00 0.04 -1.11 0.00 -1.14 0.00 0.00 176.83 174.62 3h8c n ALA 214 N -1.98 2.61 -1.79 3.77 0.00 -1.26 -4.84 120.51 117.02 3h8c n ALA 214 Ca 0.03 -2.75 -0.35 0.00 0.00 0.00 0.00 53.44 50.37 3h8c n ALA 214 Cb 0.49 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 3h8c n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8c s ALA 215 N -3.57 2.98 -0.05 0.00 0.00 -1.26 -4.17 121.76 115.69 3h8c s ALA 215 Ca 0.28 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 3h8c s ALA 215 Cb 0.33 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 20.30 3h8c s ALA 215 CO -0.05 -0.24 1.10 -1.54 0.00 0.00 0.00 175.76 175.04 3h8c s SER 216 N -1.81 -0.18 -0.07 0.00 1.04 -0.30 -2.31 113.70 110.07 3h8c s SER 216 Ca 0.63 -0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.74 3h8c s SER 216 Cb -0.18 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.25 3h8c s SER 216 CO 0.23 -0.46 0.51 -0.72 0.98 0.00 0.00 173.24 173.78 3h8c s TYR 217 N -2.74 -0.46 0.55 5.02 1.13 -1.13 -1.58 117.35 118.14 3h8c s TYR 217 Ca 0.10 0.86 -0.16 0.00 -1.41 0.00 0.00 57.07 56.46 3h8c s TYR 217 Cb 0.00 0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 41.05 3h8c s TYR 217 CO -0.04 -0.46 1.02 -1.25 -2.51 0.00 0.00 175.55 172.30 3h8c s PRO 218 N -0.93 3.69 -0.26 -3.49 0.04 -1.26 -0.60 135.00 132.19 3h8c s PRO 218 Ca -0.10 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 3h8c s PRO 218 Cb -0.03 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 3h8c s PRO 218 CO 0.06 -0.49 0.02 0.95 0.04 0.00 0.00 177.00 177.58 3h8c s THR 219 N -2.55 3.67 -2.20 1.26 -4.23 -0.76 -4.85 115.64 105.97 3h8c s THR 219 Ca 0.61 -0.59 0.18 0.00 -1.18 0.00 0.00 61.69 60.70 3h8c s THR 219 Cb -0.12 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.06 3h8c s THR 219 CO 0.34 0.25 1.06 1.33 -0.54 0.00 0.00 174.62 177.05