#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8b n PRO 2 N 0.00 0.04 0.10 0.00 -0.02 -1.26 -4.90 135.00 128.96 3h8b n PRO 2 Ca 0.00 0.06 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 3h8b n PRO 2 Cb 0.00 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 3h8b n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h8b h ARG 3 N -0.91 0.13 -3.76 -0.52 2.47 -2.03 -3.45 114.38 106.32 3h8b h ARG 3 Ca -0.45 -0.10 -0.21 0.00 -1.26 0.00 0.00 59.98 57.96 3h8b h ARG 3 Cb 1.32 0.02 -0.26 0.00 -1.65 0.00 0.00 29.97 29.40 3h8b h ARG 3 CO 0.39 0.75 -0.69 -1.12 0.56 0.00 0.00 179.97 179.86 3h8b s SER 4 N -6.88 0.05 -0.03 7.04 0.01 -1.26 -4.53 113.70 108.11 3h8b s SER 4 Ca -0.03 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 3h8b s SER 4 Cb 0.12 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.43 3h8b s SER 4 CO 0.79 -0.10 0.06 -0.69 0.41 0.00 0.00 173.24 173.70 3h8b s VAL 5 N -0.46 -0.03 -0.32 3.43 1.01 -0.17 -4.96 120.40 118.91 3h8b s VAL 5 Ca -0.05 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3h8b s VAL 5 Cb -0.03 -0.10 0.15 0.00 0.00 0.00 0.00 36.38 36.39 3h8b s VAL 5 CO -0.00 0.04 0.34 -0.62 0.00 0.00 0.00 175.10 174.86 3h8b s ASP 6 N 0.54 1.33 0.40 3.32 -1.08 -1.26 -0.22 116.67 119.69 3h8b s ASP 6 Ca -0.04 -0.97 0.28 0.00 -0.52 0.00 0.00 52.55 51.30 3h8b s ASP 6 Cb -0.06 0.61 1.31 0.00 -1.46 0.00 0.00 42.92 43.32 3h8b s ASP 6 CO -0.02 -0.34 1.85 -0.50 0.52 0.00 0.00 175.17 176.68 3h8b h TRP 7 N 7.86 0.00 -0.25 -5.34 4.06 -1.40 -2.11 115.95 118.77 3h8b h TRP 7 Ca -0.07 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 3h8b h TRP 7 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3h8b h TRP 7 CO 0.29 0.00 0.09 0.00 -3.56 0.00 0.00 178.44 175.26 3h8b h ARG 8 N 0.00 0.35 0.00 0.49 3.08 -1.95 -1.62 114.38 114.73 3h8b h ARG 8 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3h8b h ARG 8 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3h8b h ARG 8 CO 0.00 0.30 -0.08 0.93 -1.07 0.00 0.00 179.97 180.06 3h8b h GLU 9 N 0.35 0.00 -0.47 0.04 5.08 -1.78 -2.89 114.58 114.91 3h8b h GLU 9 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3h8b h GLU 9 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3h8b h GLU 9 CO -0.01 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 3h8b n LYS 10 N -3.98 2.54 -0.80 2.33 4.76 -0.62 -4.97 118.16 117.43 3h8b n LYS 10 Ca -0.03 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.05 3h8b n LYS 10 Cb 0.16 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3h8b n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8b n GLY 11 N 1.49 0.53 0.15 0.72 0.00 -1.09 -4.95 105.19 102.04 3h8b n GLY 11 Ca 0.20 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.68 3h8b n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h8b n TYR 12 N -2.80 0.00 -4.56 1.61 4.02 -1.14 -4.77 117.16 109.52 3h8b n TYR 12 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3h8b n TYR 12 Cb 0.00 -0.18 -0.17 0.00 -0.02 0.00 0.00 39.34 38.97 3h8b n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h8b s VAL 13 N -2.56 1.34 0.76 -0.72 1.01 -1.26 -3.77 120.40 115.20 3h8b s VAL 13 Ca 0.25 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3h8b s VAL 13 Cb 0.19 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.40 3h8b s VAL 13 CO 0.52 0.41 1.10 0.42 0.00 0.00 0.00 175.10 177.54 3h8b s THR 14 N 0.81 3.26 1.00 3.92 -4.23 -1.26 -5.00 115.64 114.14 3h8b s THR 14 Ca -0.11 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 3h8b s THR 14 Cb -0.16 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 70.60 3h8b s THR 14 CO 0.02 -0.53 0.91 -2.65 -0.54 0.00 0.00 174.62 171.82 3h8b n PRO 15 N -3.26 -0.98 -2.12 3.99 -0.02 -1.26 -4.90 135.00 126.45 3h8b n PRO 15 Ca 0.07 -0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 3h8b n PRO 15 Cb 0.56 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3h8b n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h8b s VAL 16 N -2.52 3.04 0.49 -1.45 1.01 -1.26 -5.03 120.40 114.69 3h8b s VAL 16 Ca 0.65 0.80 0.08 0.00 0.00 0.00 0.00 61.98 63.51 3h8b s VAL 16 Cb -0.23 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3h8b s VAL 16 CO 0.62 0.09 0.54 -0.54 0.00 0.00 0.00 175.10 175.81 3h8b s LYS 17 N 0.45 2.45 -0.18 2.72 1.02 -1.26 -4.71 119.74 120.24 3h8b s LYS 17 Ca 0.62 -1.64 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 3h8b s LYS 17 Cb -0.39 -2.45 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 3h8b s LYS 17 CO 0.35 -0.51 -0.01 1.21 -0.92 0.00 0.00 175.35 175.48 3h8b s ASN 18 N -4.36 2.84 0.27 2.83 3.84 -1.26 -1.49 114.94 117.61 3h8b s ASN 18 Ca 0.50 -0.73 0.25 0.00 0.21 0.00 0.00 52.86 53.08 3h8b s ASN 18 Cb -0.05 -0.74 0.98 0.00 -0.55 0.00 0.00 41.25 40.89 3h8b s ASN 18 CO 0.30 -0.25 1.74 0.06 -2.79 0.00 0.00 177.10 176.16 3h8b h GLN 19 N 8.18 0.00 0.00 0.43 3.07 -0.72 -3.47 115.11 122.60 3h8b h GLN 19 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.55 3h8b h GLN 19 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 3h8b h GLN 19 CO 0.36 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.69 3h8b n GLY 20 N 0.19 0.66 2.60 0.06 0.00 -1.26 -3.87 105.19 103.57 3h8b n GLY 20 Ca 0.03 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3h8b n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h8b n GLN 21 N 0.00 3.92 -3.69 1.61 6.02 -1.26 -4.82 117.38 119.15 3h8b n GLN 21 Ca 0.00 -3.14 -0.12 0.00 -0.01 0.00 0.00 57.00 53.73 3h8b n GLN 21 Cb 0.00 -2.83 -0.09 0.00 1.02 0.00 0.00 30.24 28.33 3h8b n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h8b n GLY 23 N 3.33 4.45 0.79 0.00 0.00 0.33 -4.46 105.19 109.63 3h8b n GLY 23 Ca -0.17 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.31 3h8b n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h8b n SER 24 N 3.17 3.54 -0.30 1.61 3.41 -1.26 -2.16 113.62 121.63 3h8b n SER 24 Ca 0.75 -2.70 0.22 0.00 -0.26 0.00 0.00 58.87 56.89 3h8b n SER 24 Cb 0.24 -0.44 0.52 0.00 -0.26 0.00 0.00 64.21 64.27 3h8b n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h8b h TRP 26 N 0.37 0.47 -0.22 0.00 5.08 -1.84 0.30 115.95 120.11 3h8b h TRP 26 Ca 0.55 -0.01 -0.19 0.00 1.08 0.00 0.00 58.89 60.31 3h8b h TRP 26 Cb 1.44 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3h8b h TRP 26 CO -0.00 0.38 -0.62 0.00 -1.28 0.00 0.00 178.44 176.92 3h8b h ALA 27 N 1.67 0.49 -0.35 0.11 0.00 -1.18 -1.40 119.26 118.60 3h8b h ALA 27 Ca 0.12 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 3h8b h ALA 27 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3h8b h ALA 27 CO -0.01 0.69 -0.37 0.74 0.00 0.00 0.00 179.25 180.30 3h8b h PHE 28 N 0.56 0.98 -0.58 0.00 -1.00 -1.17 0.11 116.94 115.84 3h8b h PHE 28 Ca -0.01 -0.28 -0.07 0.00 2.81 0.00 0.00 57.97 60.42 3h8b h PHE 28 Cb 1.21 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.54 3h8b h PHE 28 CO 0.07 1.06 0.08 1.03 -1.61 0.00 0.00 178.31 178.94 3h8b h SER 29 N 0.68 0.94 -0.31 2.17 0.87 -0.97 -1.45 113.55 115.48 3h8b h SER 29 Ca 0.06 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 3h8b h SER 29 Cb 0.93 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3h8b h SER 29 CO 0.09 0.97 -0.02 0.00 -0.53 0.00 0.00 176.83 177.33 3h8b h ALA 30 N 1.00 0.43 -0.24 6.23 0.00 -1.04 -1.62 119.26 124.02 3h8b h ALA 30 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3h8b h ALA 30 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3h8b h ALA 30 CO 0.01 0.20 -0.11 1.79 0.00 0.00 0.00 179.25 181.14 3h8b h THR 31 N 0.36 1.21 -0.20 0.00 1.35 -0.92 -0.67 112.91 114.04 3h8b h THR 31 Ca 0.09 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 3h8b h THR 31 Cb 0.48 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3h8b h THR 31 CO 0.02 0.29 0.09 1.23 -0.25 0.00 0.00 175.52 176.91 3h8b h GLY 32 N 0.85 0.30 1.04 5.82 0.00 -0.94 0.35 103.07 110.49 3h8b h GLY 32 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3h8b h GLY 32 CO 0.02 0.14 0.09 0.00 0.00 0.00 0.00 176.54 176.80 3h8b h ALA 33 N 0.96 0.81 -0.52 3.60 0.00 -0.99 -2.59 119.26 120.53 3h8b h ALA 33 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3h8b h ALA 33 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h8b h ALA 33 CO -0.01 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.64 3h8b h LEU 34 N 0.92 1.00 -0.89 0.00 3.38 -0.92 -1.89 115.31 116.91 3h8b h LEU 34 Ca 0.18 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 57.88 3h8b h LEU 34 Cb 0.44 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3h8b h LEU 34 CO 0.01 1.12 0.55 -0.33 0.09 0.00 0.00 178.44 179.88 3h8b h GLU 35 N 0.86 0.94 -0.17 1.13 5.08 -0.21 0.91 114.58 123.13 3h8b h GLU 35 Ca 0.14 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3h8b h GLU 35 Cb 0.67 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3h8b h GLU 35 CO 0.05 0.62 -0.00 0.78 -1.00 0.00 0.00 179.01 179.46 3h8b h GLY 36 N 0.97 0.33 1.42 -3.84 0.00 -1.27 -1.29 103.07 99.39 3h8b h GLY 36 Ca 0.40 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.35 3h8b h GLY 36 CO -0.19 0.22 -0.39 1.46 0.00 0.00 0.00 176.54 177.64 3h8b h GLN 37 N 0.05 0.63 -0.68 4.80 1.08 -0.99 -0.73 115.11 119.28 3h8b h GLN 37 Ca 0.05 -0.32 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 3h8b h GLN 37 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3h8b h GLN 37 CO 0.01 0.92 0.32 0.52 -0.95 0.00 0.00 178.83 179.65 3h8b h MET 38 N 0.52 0.99 -0.31 1.46 2.86 -0.83 -2.09 114.93 117.53 3h8b h MET 38 Ca 0.05 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3h8b h MET 38 Cb 0.91 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3h8b h MET 38 CO 0.08 0.78 0.15 0.35 1.06 0.00 0.00 176.91 179.33 3h8b h PHE 39 N 0.95 0.44 -0.59 -0.22 3.57 -0.95 0.40 116.94 120.54 3h8b h PHE 39 Ca 0.23 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.80 3h8b h PHE 39 Cb 0.12 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3h8b h PHE 39 CO 0.01 0.39 0.40 -0.09 -2.23 0.00 0.00 178.31 176.78 3h8b h ARG 40 N 0.37 0.45 0.05 1.11 2.43 -0.85 0.35 114.38 118.29 3h8b h ARG 40 Ca 0.11 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 3h8b h ARG 40 Cb 0.11 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3h8b h ARG 40 CO -0.01 0.30 -0.59 -0.22 -1.51 0.00 0.00 179.97 177.93 3h8b h LYS 41 N 0.46 0.11 0.00 0.20 3.64 -0.99 -3.41 116.57 116.58 3h8b h LYS 41 Ca 0.27 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3h8b h LYS 41 Cb 0.45 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3h8b h LYS 41 CO -0.08 1.09 -1.79 0.25 -2.27 0.00 0.00 179.45 176.65 3h8b n THR 42 N -4.36 0.00 -0.95 1.00 -2.24 0.09 -4.98 114.28 102.83 3h8b n THR 42 Ca -0.16 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3h8b n THR 42 Cb 0.66 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3h8b n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h8b n GLY 43 N 1.35 0.62 3.25 3.38 0.00 0.12 -5.02 105.19 108.89 3h8b n GLY 43 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3h8b n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h8b s ARG 44 N -0.05 3.12 -0.33 1.61 0.52 -1.26 -5.03 118.95 117.54 3h8b s ARG 44 Ca 0.00 -0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 3h8b s ARG 44 Cb 0.00 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 3h8b s ARG 44 CO 0.00 0.17 0.39 -1.17 0.02 0.00 0.00 175.30 174.71 3h8b s LEU 45 N 0.39 4.36 -0.10 2.53 2.96 -1.26 -3.95 118.68 123.60 3h8b s LEU 45 Ca -0.16 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3h8b s LEU 45 Cb -0.17 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.14 3h8b s LEU 45 CO 0.07 -0.34 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.03 3h8b s ILE 46 N 2.09 1.15 0.20 6.68 1.01 -1.26 -5.11 121.20 125.96 3h8b s ILE 46 Ca 0.13 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 3h8b s ILE 46 Cb -0.16 -1.11 -0.10 0.00 0.01 0.00 0.00 42.46 41.09 3h8b s ILE 46 CO 0.12 0.38 1.57 -0.55 0.00 0.00 0.00 174.94 176.45 3h8b s SER 47 N 1.32 6.55 0.24 3.58 0.15 -1.26 -4.83 113.70 119.45 3h8b s SER 47 Ca -0.02 2.70 0.06 0.00 0.70 0.00 0.00 55.95 59.39 3h8b s SER 47 Cb -0.14 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.54 3h8b s SER 47 CO -0.04 -0.83 0.29 -0.76 1.20 0.00 0.00 173.24 173.09 3h8b s LEU 48 N 0.65 4.11 -0.58 3.45 1.43 -1.26 -0.85 118.68 125.63 3h8b s LEU 48 Ca 0.68 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.46 3h8b s LEU 48 Cb -0.45 -2.65 0.03 0.00 0.03 0.00 0.00 46.19 43.15 3h8b s LEU 48 CO 0.36 -0.05 1.13 -0.55 0.23 0.00 0.00 176.35 177.47 3h8b s SER 49 N -3.85 6.41 0.32 2.29 0.15 -0.52 -4.03 113.70 114.46 3h8b s SER 49 Ca 0.33 -0.04 0.11 0.00 0.70 0.00 0.00 55.95 57.06 3h8b s SER 49 Cb -0.09 -2.52 0.52 0.00 -1.71 0.00 0.00 66.02 62.22 3h8b s SER 49 CO 0.27 -1.43 1.71 -0.33 1.20 0.00 0.00 173.24 174.66 3h8b h GLU 50 N 9.50 0.01 -0.52 5.44 3.07 -1.88 -3.08 114.58 127.11 3h8b h GLU 50 Ca -0.25 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 3h8b h GLU 50 Cb 1.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 3h8b h GLU 50 CO 1.16 0.51 0.19 0.37 -1.40 0.00 0.00 179.01 179.84 3h8b h GLN 51 N 0.01 0.80 -0.65 2.33 5.75 -1.84 -0.28 115.11 121.23 3h8b h GLN 51 Ca -0.00 -0.16 0.12 0.00 -0.15 0.00 0.00 58.65 58.46 3h8b h GLN 51 Cb 0.89 -0.12 -0.09 0.00 1.07 0.00 0.00 27.48 29.23 3h8b h GLN 51 CO 0.07 0.72 0.19 -0.97 -2.65 0.00 0.00 178.83 176.19 3h8b h ASN 52 N 0.71 0.12 -0.29 -0.69 -0.00 -1.77 0.16 115.58 113.81 3h8b h ASN 52 Ca 0.17 0.11 -0.04 0.00 -0.00 0.00 0.00 56.30 56.53 3h8b h ASN 52 Cb 0.23 0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 3h8b h ASN 52 CO -0.01 0.06 0.01 -0.07 -0.00 0.00 0.00 177.43 177.42 3h8b h LEU 53 N 0.34 0.50 -0.76 0.34 3.38 -1.39 -1.27 115.31 116.45 3h8b h LEU 53 Ca 0.34 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h8b h LEU 53 Cb 0.50 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3h8b h LEU 53 CO -0.39 0.67 0.50 0.58 0.09 0.00 0.00 178.44 179.90 3h8b h VAL 54 N 0.31 1.20 0.00 1.22 2.07 -0.46 -2.46 116.25 118.13 3h8b h VAL 54 Ca 0.08 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 3h8b h VAL 54 Cb 0.41 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3h8b h VAL 54 CO 0.01 0.19 -0.75 0.44 0.02 0.00 0.00 177.57 177.49 3h8b h ASP 55 N 1.03 0.00 -0.00 0.57 3.32 -0.67 -3.37 116.42 117.31 3h8b h ASP 55 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3h8b h ASP 55 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3h8b h ASP 55 CO -0.06 0.63 -0.06 0.00 -1.72 0.00 0.00 179.24 178.03 3h8b n SER 57 N -0.76 4.36 -0.20 0.00 3.41 -0.93 -4.46 113.62 115.03 3h8b n SER 57 Ca 0.00 -3.21 -0.05 0.00 -0.26 0.00 0.00 58.87 55.35 3h8b n SER 57 Cb 0.03 -0.75 0.11 0.00 -0.26 0.00 0.00 64.21 63.34 3h8b n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h8b h GLY 58 N 2.44 1.08 1.30 5.00 0.00 -1.84 -2.58 103.07 108.46 3h8b h GLY 58 Ca 0.34 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 47.09 3h8b h GLY 58 CO 0.78 0.61 0.31 -2.55 0.00 0.00 0.00 176.54 175.69 3h8b h PRO 59 N 0.96 0.34 0.00 4.80 0.11 -1.86 -0.61 132.00 135.74 3h8b h PRO 59 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3h8b h PRO 59 Cb 0.33 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3h8b h PRO 59 CO -0.00 0.22 0.00 1.04 -0.21 0.00 0.00 178.00 179.05 3h8b n GLN 60 N -4.47 0.17 0.00 1.05 3.00 -1.09 -4.89 117.38 111.14 3h8b n GLN 60 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3h8b n GLN 60 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.02 3h8b n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h8b n GLY 61 N 1.39 1.46 3.83 1.08 0.00 -0.24 -4.84 105.19 107.87 3h8b n GLY 61 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3h8b n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8b s ASN 62 N -1.89 6.29 -0.27 1.61 0.01 -0.99 -4.89 114.94 114.80 3h8b s ASN 62 Ca 0.00 1.67 0.08 0.00 -0.71 0.00 0.00 52.86 53.91 3h8b s ASN 62 Cb 0.00 -2.52 0.45 0.00 0.41 0.00 0.00 41.25 39.59 3h8b s ASN 62 CO 0.00 -0.82 1.19 -0.62 -1.51 0.00 0.00 177.10 175.34 3h8b n GLU 63 N -1.75 3.11 0.00 -0.60 -0.58 0.10 -4.09 120.64 116.84 3h8b n GLU 63 Ca 0.07 -3.95 0.00 0.00 -0.42 0.00 0.00 57.16 52.86 3h8b n GLU 63 Cb 0.53 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 3h8b n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h8b n GLY 64 N -0.78 3.45 0.00 0.62 0.00 -1.23 -0.91 105.19 106.35 3h8b n GLY 64 Ca 0.37 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.65 3h8b n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8b n ASN 66 N -1.11 4.81 0.00 0.00 3.02 -0.08 -0.52 115.26 121.38 3h8b n ASN 66 Ca 0.17 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.09 3h8b n ASN 66 Cb 0.14 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3h8b n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8b n GLY 67 N 0.73 2.57 0.00 7.41 0.00 -0.92 -4.85 105.19 110.13 3h8b n GLY 67 Ca 0.25 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3h8b n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 68 N -0.72 -1.01 2.94 -0.02 0.00 -1.26 0.03 105.19 105.15 3h8b n GLY 68 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 3h8b n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h8b s LEU 69 N 0.00 2.14 0.31 0.99 1.43 -1.26 -4.81 118.68 117.48 3h8b s LEU 69 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3h8b s LEU 69 Cb 0.00 0.05 0.50 0.00 0.03 0.00 0.00 46.19 46.76 3h8b s LEU 69 CO 0.00 -0.17 1.84 0.24 0.23 0.00 0.00 176.35 178.50 3h8b h MET 70 N 5.28 0.67 -0.23 1.70 2.86 -1.97 -2.22 114.93 121.02 3h8b h MET 70 Ca -0.29 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 3h8b h MET 70 Cb 1.21 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3h8b h MET 70 CO 0.45 0.65 -0.11 -0.44 1.06 0.00 0.00 176.91 178.53 3h8b h ASP 71 N 0.64 0.35 -0.27 1.22 3.32 -1.96 -0.94 116.42 118.79 3h8b h ASP 71 Ca 0.14 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3h8b h ASP 71 Cb 0.33 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3h8b h ASP 71 CO 0.01 0.50 -0.25 1.88 -1.72 0.00 0.00 179.24 179.66 3h8b h TYR 72 N 0.35 0.86 -0.27 4.55 0.05 -1.74 -1.64 116.97 119.12 3h8b h TYR 72 Ca 0.07 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 3h8b h TYR 72 Cb 0.41 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3h8b h TYR 72 CO 0.01 0.92 0.07 0.00 -1.05 0.00 0.00 178.16 178.12 3h8b h ALA 73 N 1.07 0.36 -0.94 3.88 0.00 -0.93 -1.59 119.26 121.10 3h8b h ALA 73 Ca 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3h8b h ALA 73 Cb 0.76 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3h8b h ALA 73 CO 0.06 0.00 0.62 0.74 0.00 0.00 0.00 179.25 180.67 3h8b h PHE 74 N 0.27 1.19 -0.52 0.00 0.04 -1.05 -1.67 116.94 115.20 3h8b h PHE 74 Ca 0.09 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.81 3h8b h PHE 74 Cb 0.26 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3h8b h PHE 74 CO 0.01 0.75 0.02 0.37 -0.60 0.00 0.00 178.31 178.86 3h8b h GLN 75 N 1.28 0.86 -0.48 1.51 5.75 -1.15 -2.41 115.11 120.47 3h8b h GLN 75 Ca 0.35 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3h8b h GLN 75 Cb -0.14 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.28 3h8b h GLN 75 CO -0.07 0.85 0.30 -0.92 -2.65 0.00 0.00 178.83 176.34 3h8b h TYR 76 N 0.80 0.61 -0.86 3.99 3.20 -0.60 0.11 116.97 124.22 3h8b h TYR 76 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3h8b h TYR 76 Cb 0.46 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3h8b h TYR 76 CO 0.03 0.41 0.55 0.28 -1.64 0.00 0.00 178.16 177.78 3h8b h VAL 77 N 0.64 1.23 0.19 1.81 2.07 -0.93 0.25 116.25 121.51 3h8b h VAL 77 Ca 0.17 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3h8b h VAL 77 Cb -0.04 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3h8b h VAL 77 CO -0.04 0.23 -0.09 -0.61 0.02 0.00 0.00 177.57 177.08 3h8b h GLN 78 N 1.17 -0.25 -0.50 1.57 4.15 -1.13 -1.88 115.11 118.25 3h8b h GLN 78 Ca 0.31 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.85 3h8b h GLN 78 Cb -0.09 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.57 3h8b h GLN 78 CO -0.06 0.14 -0.01 -0.44 -1.93 0.00 0.00 178.83 176.52 3h8b h ASP 79 N -0.73 -0.25 0.99 -0.69 3.32 -0.48 -2.16 116.42 116.42 3h8b h ASP 79 Ca -0.03 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3h8b h ASP 79 Cb 0.50 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 3h8b h ASP 79 CO 0.04 -0.09 -0.13 -1.13 -1.72 0.00 0.00 179.24 176.21 3h8b h ASN 80 N 0.10 0.00 0.00 6.45 -1.24 -0.57 -3.47 115.58 116.85 3h8b h ASN 80 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.26 3h8b h ASN 80 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 3h8b h ASN 80 CO -0.43 0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.45 3h8b n GLY 81 N 0.12 0.43 0.00 1.57 0.00 -0.75 -4.97 105.19 101.59 3h8b n GLY 81 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3h8b n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 82 N -2.96 1.17 3.26 -0.02 0.00 -0.92 -4.99 105.19 100.73 3h8b n GLY 82 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3h8b n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h8b s LEU 83 N 0.00 0.18 0.64 0.99 2.96 -1.05 -4.67 118.68 117.73 3h8b s LEU 83 Ca 0.00 0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 3h8b s LEU 83 Cb 0.00 1.29 -0.02 0.00 0.50 0.00 0.00 46.19 47.97 3h8b s LEU 83 CO 0.00 -0.17 1.05 -1.81 -1.32 0.00 0.00 176.35 174.10 3h8b s ASP 84 N 0.92 5.70 0.72 3.68 1.01 -1.26 -1.46 116.67 125.98 3h8b s ASP 84 Ca -0.06 1.65 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 3h8b s ASP 84 Cb -0.06 -2.50 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3h8b s ASP 84 CO -0.07 -1.23 1.07 -0.94 0.21 0.00 0.00 175.17 174.22 3h8b s SER 85 N -3.49 5.06 0.22 0.27 1.04 -1.02 -1.44 113.70 114.34 3h8b s SER 85 Ca 0.59 1.72 -0.09 0.00 0.48 0.00 0.00 55.95 58.66 3h8b s SER 85 Cb -0.14 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.66 3h8b s SER 85 CO 0.48 -1.66 1.87 -0.08 0.98 0.00 0.00 173.24 174.83 3h8b h GLU 86 N -0.78 1.13 -0.66 4.02 4.57 -1.13 -2.03 114.58 119.71 3h8b h GLU 86 Ca -0.44 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 3h8b h GLU 86 Cb 1.22 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3h8b h GLU 86 CO 0.55 0.79 0.39 1.49 -1.18 0.00 0.00 179.01 181.04 3h8b h GLU 87 N 1.15 0.90 0.00 1.92 4.81 -1.92 -2.69 114.58 118.75 3h8b h GLU 87 Ca 0.30 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3h8b h GLU 87 Cb -0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3h8b h GLU 87 CO -0.06 0.65 -0.40 0.66 -0.73 0.00 0.00 179.01 179.13 3h8b h SER 88 N 0.90 0.00 -2.07 1.04 4.64 -1.88 -3.38 113.55 112.80 3h8b h SER 88 Ca 0.24 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.99 3h8b h SER 88 Cb -0.01 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.69 3h8b h SER 88 CO -0.04 0.40 -1.08 0.00 -0.87 0.00 0.00 176.83 175.24 3h8b n TYR 89 N -3.35 -0.39 -1.53 4.77 4.19 -0.78 -4.99 117.16 115.08 3h8b n TYR 89 Ca 0.01 -3.53 -0.40 0.00 3.31 0.00 0.00 57.90 57.30 3h8b n TYR 89 Cb 0.60 -0.24 0.03 0.00 0.49 0.00 0.00 39.34 40.21 3h8b n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3h8b n PRO 90 N 1.66 0.80 -2.61 2.98 -0.02 -1.03 -4.41 135.00 132.36 3h8b n PRO 90 Ca 0.23 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 3h8b n PRO 90 Cb 0.52 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3h8b n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h8b s TYR 91 N -1.52 3.64 -0.11 6.00 5.04 -1.26 -4.69 117.35 124.45 3h8b s TYR 91 Ca 0.68 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.94 3h8b s TYR 91 Cb -0.50 -3.20 -0.00 0.00 0.35 0.00 0.00 41.96 38.61 3h8b s TYR 91 CO 0.54 -0.34 0.29 0.39 -1.34 0.00 0.00 175.55 175.09 3h8b n GLU 92 N 3.32 3.01 -2.40 4.97 1.02 -1.26 -5.02 120.64 124.27 3h8b n GLU 92 Ca 0.05 -0.28 -0.20 0.00 -0.02 0.00 0.00 57.16 56.71 3h8b n GLU 92 Cb 0.49 -0.78 -0.01 0.00 -0.02 0.00 0.00 31.44 31.11 3h8b n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h8b n ALA 93 N -0.49 -0.64 -3.59 0.62 0.00 -1.26 -4.95 120.51 110.19 3h8b n ALA 93 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 3h8b n ALA 93 Cb 0.03 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 3h8b n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h8b s THR 94 N -2.99 0.00 0.21 0.00 -1.32 -1.26 -4.61 115.64 105.67 3h8b s THR 94 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 3h8b s THR 94 Cb 0.00 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.91 3h8b s THR 94 CO 0.00 0.00 1.14 -0.70 -2.21 0.00 0.00 174.62 172.85 3h8b s GLU 95 N -0.19 4.56 0.37 7.08 2.12 -1.26 -4.98 118.70 126.40 3h8b s GLU 95 Ca -0.03 1.82 0.06 0.00 0.36 0.00 0.00 54.97 57.18 3h8b s GLU 95 Cb -0.03 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3h8b s GLU 95 CO 0.03 0.04 0.22 -1.21 -0.54 0.00 0.00 175.26 173.81 3h8b s GLU 96 N -0.67 1.86 0.53 4.30 0.41 -1.26 -5.09 118.70 118.78 3h8b s GLU 96 Ca 0.49 -2.11 -0.21 0.00 -0.41 0.00 0.00 54.97 52.73 3h8b s GLU 96 Cb -0.32 -0.05 -0.05 0.00 -1.78 0.00 0.00 34.13 31.93 3h8b s GLU 96 CO 0.38 -0.60 1.25 -1.54 -0.49 0.00 0.00 175.26 174.26 3h8b s SER 97 N -3.48 5.57 0.10 -0.19 1.04 -1.26 -4.62 113.70 110.86 3h8b s SER 97 Ca 0.33 2.51 -0.31 0.00 0.48 0.00 0.00 55.95 58.96 3h8b s SER 97 Cb 0.02 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 3h8b s SER 97 CO 0.23 -1.34 1.69 0.00 0.98 0.00 0.00 173.24 174.79 3h8b n LYS 99 N 5.39 1.26 -1.71 0.00 5.02 -1.26 -5.06 118.16 121.80 3h8b n LYS 99 Ca 0.16 -2.88 -0.43 0.00 -2.02 0.00 0.00 58.31 53.14 3h8b n LYS 99 Cb 0.40 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 3h8b n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h8b n TYR 100 N -0.95 2.44 -3.80 2.13 9.36 -1.26 -4.99 117.16 120.10 3h8b n TYR 100 Ca 0.16 0.41 -0.27 0.00 3.32 0.00 0.00 57.90 61.52 3h8b n TYR 100 Cb 0.73 -2.49 -0.17 0.00 -0.63 0.00 0.00 39.34 36.79 3h8b n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3h8b s ASN 101 N 0.17 2.76 0.64 2.98 3.84 -1.26 -5.03 114.94 119.04 3h8b s ASN 101 Ca 0.63 -0.69 0.37 0.00 0.21 0.00 0.00 52.86 53.38 3h8b s ASN 101 Cb -0.57 -0.70 2.09 0.00 -0.55 0.00 0.00 41.25 41.52 3h8b s ASN 101 CO 0.54 -0.25 2.25 1.55 -2.79 0.00 0.00 177.10 178.39 3h8b h PRO 102 N 8.20 0.00 -0.06 0.43 0.13 -1.99 -1.92 132.00 136.79 3h8b h PRO 102 Ca -0.19 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.96 3h8b h PRO 102 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3h8b h PRO 102 CO 0.35 0.00 0.05 -0.22 -0.23 0.00 0.00 178.00 177.94 3h8b h LYS 103 N 0.00 0.00 -0.40 0.86 3.64 -2.02 -2.01 116.57 116.64 3h8b h LYS 103 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3h8b h LYS 103 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3h8b h LYS 103 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3h8b n TYR 104 N -4.38 1.29 -2.33 1.91 4.01 -0.72 -4.99 117.16 111.94 3h8b n TYR 104 Ca -0.02 -0.77 -0.42 0.00 -0.16 0.00 0.00 57.90 56.53 3h8b n TYR 104 Cb 0.15 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 3h8b n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h8b s SER 105 N -1.42 7.01 0.00 7.72 0.15 -0.76 -2.43 113.70 123.97 3h8b s SER 105 Ca 0.45 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.27 3h8b s SER 105 Cb 0.34 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 3h8b s SER 105 CO 0.13 -0.50 0.30 1.33 1.20 0.00 0.00 173.24 175.71 3h8b n VAL 106 N 3.51 0.03 -4.05 4.45 0.24 -0.53 -4.93 118.33 117.05 3h8b n VAL 106 Ca 0.08 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.34 62.01 3h8b n VAL 106 Cb 0.45 1.42 -0.09 0.00 -1.47 0.00 0.00 33.84 34.15 3h8b n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h8b s ALA 107 N -0.03 0.42 0.37 2.33 0.00 -1.20 -5.02 121.76 118.63 3h8b s ALA 107 Ca 0.00 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 3h8b s ALA 107 Cb 0.00 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.88 3h8b s ALA 107 CO 0.00 -0.51 0.75 1.21 0.00 0.00 0.00 175.76 177.21 3h8b s ASN 108 N -2.98 0.08 -0.12 0.00 3.04 -1.26 -2.54 114.94 111.16 3h8b s ASN 108 Ca 0.17 -1.15 -0.30 0.00 0.04 0.00 0.00 52.86 51.62 3h8b s ASN 108 Cb 0.06 0.82 0.09 0.00 -1.54 0.00 0.00 41.25 40.69 3h8b s ASN 108 CO -0.02 -1.63 0.80 1.51 -3.04 0.00 0.00 177.10 174.72 3h8b s ASP 109 N -3.08 -0.56 -0.29 -4.21 1.47 -1.26 -4.66 116.67 104.08 3h8b s ASP 109 Ca 0.17 0.69 0.09 0.00 1.18 0.00 0.00 52.55 54.67 3h8b s ASP 109 Cb -0.05 0.56 0.51 0.00 -0.34 0.00 0.00 42.92 43.60 3h8b s ASP 109 CO 0.12 -0.47 1.47 1.07 0.68 0.00 0.00 175.17 178.04 3h8b n THR 110 N 1.07 2.56 0.00 2.11 5.66 0.15 -3.94 114.28 121.90 3h8b n THR 110 Ca -0.15 -2.76 0.00 0.00 -3.05 0.00 0.00 64.05 58.09 3h8b n THR 110 Cb 0.57 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 3h8b n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h8b n GLY 111 N -1.12 0.69 3.50 1.09 0.00 -1.24 -4.90 105.19 103.21 3h8b n GLY 111 Ca 0.33 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 3h8b n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8b s PHE 112 N -1.15 -0.14 -0.15 1.61 -0.71 -1.26 -1.18 117.98 115.00 3h8b s PHE 112 Ca 0.00 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.72 3h8b s PHE 112 Cb 0.00 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 42.22 3h8b s PHE 112 CO 0.00 -0.90 -0.19 0.08 -1.34 0.00 0.00 175.22 172.87 3h8b s VAL 113 N -3.86 1.88 -0.29 -2.49 1.01 0.95 -4.90 120.40 112.70 3h8b s VAL 113 Ca 0.08 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3h8b s VAL 113 Cb -0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3h8b s VAL 113 CO -0.04 0.51 0.66 -1.81 0.00 0.00 0.00 175.10 174.42 3h8b s ASP 114 N 1.08 6.55 0.28 3.32 1.01 -1.26 -1.95 116.67 125.70 3h8b s ASP 114 Ca -0.02 0.55 -0.29 0.00 0.71 0.00 0.00 52.55 53.50 3h8b s ASP 114 Cb -0.14 -2.35 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 3h8b s ASP 114 CO -0.06 -0.47 1.06 -0.63 0.21 0.00 0.00 175.17 175.28 3h8b s ILE 115 N 2.64 3.63 0.55 0.77 -1.09 -0.23 -5.01 121.20 122.45 3h8b s ILE 115 Ca 0.27 1.60 -0.20 0.00 -2.23 0.00 0.00 60.65 60.09 3h8b s ILE 115 Cb -0.15 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 3h8b s ILE 115 CO 0.11 0.35 0.82 -2.65 -1.23 0.00 0.00 174.94 172.34 3h8b n PRO 116 N 1.12 0.86 -1.17 2.79 -0.02 -1.26 -4.69 135.00 132.63 3h8b n PRO 116 Ca -0.01 0.33 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 3h8b n PRO 116 Cb 0.46 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 3h8b n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h8b n LYS 117 N -0.40 3.14 -3.93 -0.52 5.02 -1.26 -4.58 118.16 115.63 3h8b n LYS 117 Ca 0.12 -1.85 -0.14 0.00 -2.02 0.00 0.00 58.31 54.42 3h8b n LYS 117 Cb 0.45 -2.59 -0.15 0.00 -0.02 0.00 0.00 35.03 32.73 3h8b n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h8b s GLN 118 N 2.09 0.14 0.46 1.97 1.11 -1.26 -4.80 119.66 119.38 3h8b s GLN 118 Ca 0.65 -0.01 0.17 0.00 0.01 0.00 0.00 55.36 56.18 3h8b s GLN 118 Cb 0.20 -0.19 1.14 0.00 -1.01 0.00 0.00 33.01 33.14 3h8b s GLN 118 CO -0.04 -0.01 2.00 0.93 0.01 0.00 0.00 175.29 178.17 3h8b h GLU 119 N 6.41 0.27 -0.42 2.91 5.08 -1.89 -0.58 114.58 126.36 3h8b h GLU 119 Ca -0.30 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3h8b h GLU 119 Cb 1.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3h8b h GLU 119 CO 0.50 0.18 0.26 -0.22 -1.00 0.00 0.00 179.01 178.72 3h8b h LYS 120 N 0.27 0.57 -0.47 2.33 3.11 -1.95 0.80 116.57 121.24 3h8b h LYS 120 Ca 0.24 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.93 3h8b h LYS 120 Cb 0.60 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 3h8b h LYS 120 CO -0.05 0.42 -0.13 0.00 -2.81 0.00 0.00 179.45 176.89 3h8b h ALA 121 N 1.12 0.90 -0.65 5.00 0.00 -1.45 -2.39 119.26 121.79 3h8b h ALA 121 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3h8b h ALA 121 Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3h8b h ALA 121 CO -0.03 0.63 0.32 1.25 0.00 0.00 0.00 179.25 181.42 3h8b h LEU 122 N 0.77 0.85 -0.75 0.00 5.85 -0.74 -1.64 115.31 119.65 3h8b h LEU 122 Ca 0.12 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3h8b h LEU 122 Cb 0.64 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3h8b h LEU 122 CO 0.04 0.74 0.47 -0.03 -0.34 0.00 0.00 178.44 179.33 3h8b h MET 123 N 0.90 0.88 -0.43 1.25 4.05 -0.62 0.11 114.93 121.06 3h8b h MET 123 Ca 0.22 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.49 3h8b h MET 123 Cb 0.12 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 3h8b h MET 123 CO -0.03 0.58 -0.13 0.87 0.23 0.00 0.00 176.91 178.43 3h8b h LYS 124 N 0.91 0.85 -0.49 0.39 1.57 -1.19 -0.72 116.57 117.88 3h8b h LYS 124 Ca 0.31 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3h8b h LYS 124 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3h8b h LYS 124 CO -0.12 0.97 0.20 0.00 -0.57 0.00 0.00 179.45 179.93 3h8b h ALA 125 N 0.85 0.64 -0.66 3.86 0.00 -0.76 -0.32 119.26 122.88 3h8b h ALA 125 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3h8b h ALA 125 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3h8b h ALA 125 CO 0.05 0.25 0.31 0.28 0.00 0.00 0.00 179.25 180.14 3h8b h VAL 126 N 0.66 1.23 0.00 0.00 2.07 -0.69 0.32 116.25 119.83 3h8b h VAL 126 Ca 0.16 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 3h8b h VAL 126 Cb 0.19 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3h8b h VAL 126 CO -0.01 0.26 -0.49 0.00 0.02 0.00 0.00 177.57 177.35 3h8b h ALA 127 N 1.14 1.16 0.00 1.67 0.00 -0.87 -3.28 119.26 119.09 3h8b h ALA 127 Ca 0.23 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3h8b h ALA 127 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h8b h ALA 127 CO -0.03 0.62 -1.66 0.25 0.00 0.00 0.00 179.25 178.42 3h8b n THR 128 N -3.92 0.32 -0.14 0.00 -2.24 -0.15 -4.82 114.28 103.33 3h8b n THR 128 Ca -0.01 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 3h8b n THR 128 Cb 0.51 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 3h8b n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h8b n VAL 129 N -2.14 1.52 0.00 2.28 0.31 0.11 -5.08 118.33 115.34 3h8b n VAL 129 Ca -0.09 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3h8b n VAL 129 Cb 0.55 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3h8b n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8b n GLY 130 N 1.53 0.81 3.68 2.92 0.00 -1.23 -4.90 105.19 108.00 3h8b n GLY 130 Ca -0.52 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.03 3h8b n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h8b n PRO 131 N 0.00 2.08 -4.97 1.61 -0.02 -1.26 -4.46 135.00 127.98 3h8b n PRO 131 Ca 0.00 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3h8b n PRO 131 Cb 0.00 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 3h8b n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8b s ILE 132 N -0.29 2.74 0.12 4.25 -1.09 -0.18 -4.71 121.20 122.04 3h8b s ILE 132 Ca 0.65 -0.81 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 3h8b s ILE 132 Cb -0.62 -2.08 -0.06 0.00 -1.58 0.00 0.00 42.46 38.11 3h8b s ILE 132 CO 0.52 0.56 1.07 -0.44 -1.23 0.00 0.00 174.94 175.43 3h8b s SER 133 N -0.19 7.30 0.10 3.58 0.01 -0.26 -0.75 113.70 123.48 3h8b s SER 133 Ca -0.01 1.96 -0.04 0.00 1.31 0.00 0.00 55.95 59.17 3h8b s SER 133 Cb -0.13 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 3h8b s SER 133 CO 0.03 -0.24 0.10 0.68 0.41 0.00 0.00 173.24 174.22 3h8b s VAL 134 N 0.19 0.14 -0.05 3.43 -7.23 -0.89 -1.13 120.40 114.86 3h8b s VAL 134 Ca 0.51 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 3h8b s VAL 134 Cb -0.27 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 3h8b s VAL 134 CO 0.32 -0.64 -0.20 0.00 -0.31 0.00 0.00 175.10 174.26 3h8b s ALA 135 N -3.95 2.39 0.20 1.32 0.00 -1.22 -0.66 121.76 119.83 3h8b s ALA 135 Ca 0.13 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3h8b s ALA 135 Cb 0.06 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 3h8b s ALA 135 CO -0.05 0.48 -0.09 0.42 0.00 0.00 0.00 175.76 176.51 3h8b s ILE 136 N -0.42 1.38 -0.80 0.00 1.09 -0.20 -4.01 121.20 118.25 3h8b s ILE 136 Ca 0.04 -2.11 -0.23 0.00 -1.10 0.00 0.00 60.65 57.25 3h8b s ILE 136 Cb -0.12 -2.07 0.06 0.00 -1.06 0.00 0.00 42.46 39.28 3h8b s ILE 136 CO 0.02 -0.57 1.18 -0.62 -0.10 0.00 0.00 174.94 174.85 3h8b s ASP 137 N -3.27 6.32 -0.32 3.58 2.15 -0.39 -1.49 116.67 123.24 3h8b s ASP 137 Ca 0.22 -1.11 0.10 0.00 0.43 0.00 0.00 52.55 52.18 3h8b s ASP 137 Cb 0.02 -2.49 0.69 0.00 -0.30 0.00 0.00 42.92 40.84 3h8b s ASP 137 CO 0.05 -1.51 1.75 0.00 -0.17 0.00 0.00 175.17 175.29 3h8b n ALA 138 N 8.24 4.53 -0.91 3.66 0.00 -1.26 -4.77 120.51 129.99 3h8b n ALA 138 Ca 0.11 -2.51 -0.11 0.00 0.00 0.00 0.00 53.44 50.92 3h8b n ALA 138 Cb 0.48 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 3h8b n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8b n GLY 139 N -0.44 3.22 3.24 0.00 0.00 -1.26 -4.80 105.19 105.14 3h8b n GLY 139 Ca 0.41 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3h8b n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h8b s HIS 140 N -0.12 -0.23 0.27 1.61 3.76 -1.26 -5.04 115.29 114.27 3h8b s HIS 140 Ca 0.41 0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 55.75 3h8b s HIS 140 Cb 0.22 0.11 0.57 0.00 1.11 0.00 0.00 32.58 34.60 3h8b s HIS 140 CO -0.04 -0.35 1.74 0.93 -0.85 0.00 0.00 174.74 176.18 3h8b h GLU 141 N 4.25 0.53 -0.37 1.40 5.08 -2.00 -0.95 114.58 122.52 3h8b h GLU 141 Ca -0.29 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3h8b h GLU 141 Cb 1.18 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3h8b h GLU 141 CO 0.37 0.35 0.26 0.66 -1.00 0.00 0.00 179.01 179.66 3h8b h SER 142 N 0.55 0.09 0.23 1.42 4.64 -1.96 -0.35 113.55 118.17 3h8b h SER 142 Ca 0.48 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.55 3h8b h SER 142 Cb 0.75 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3h8b h SER 142 CO -0.41 0.06 -1.06 0.15 -0.87 0.00 0.00 176.83 174.69 3h8b h PHE 143 N 0.10 0.80 -0.34 4.77 3.57 -1.50 -2.21 116.94 122.13 3h8b h PHE 143 Ca 0.17 -0.46 -0.09 0.00 3.53 0.00 0.00 57.97 61.12 3h8b h PHE 143 Cb 0.57 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3h8b h PHE 143 CO -0.00 1.30 -0.16 1.25 -2.23 0.00 0.00 178.31 178.47 3h8b h LEU 144 N 0.27 0.60 -1.67 0.59 5.85 -1.04 -2.95 115.31 116.96 3h8b h LEU 144 Ca -0.12 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3h8b h LEU 144 Cb 1.72 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3h8b h LEU 144 CO 0.19 0.78 0.00 0.49 -0.34 0.00 0.00 178.44 179.56 3h8b n PHE 145 N -4.16 0.45 -1.85 1.25 3.72 -0.29 -4.96 117.46 111.63 3h8b n PHE 145 Ca 0.01 -0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 56.77 3h8b n PHE 145 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3h8b n PHE 145 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3h8b s TYR 146 N -1.55 2.80 0.00 1.38 5.04 -0.83 -4.93 117.35 119.26 3h8b s TYR 146 Ca 0.34 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 3h8b s TYR 146 Cb 0.19 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.50 3h8b s TYR 146 CO 0.26 -3.25 0.00 1.63 -1.34 0.00 0.00 175.55 172.85 3h8b n LYS 147 N 1.97 0.00 -3.67 4.97 4.01 -1.26 -2.00 118.16 122.18 3h8b n LYS 147 Ca 0.07 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 3h8b n LYS 147 Cb 0.38 -0.61 -0.02 0.00 -0.51 0.00 0.00 35.03 34.27 3h8b n LYS 147 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3h8b s GLU 148 N -1.94 1.57 0.12 1.97 4.04 -1.26 -2.78 118.70 120.42 3h8b s GLU 148 Ca 0.00 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.24 3h8b s GLU 148 Cb 0.00 0.60 0.00 0.00 0.02 0.00 0.00 34.13 34.75 3h8b s GLU 148 CO 0.00 -0.71 0.00 0.41 -1.84 0.00 0.00 175.26 173.12 3h8b n GLY 149 N -0.43 -2.94 3.58 -3.83 0.00 -1.26 -4.85 105.19 95.46 3h8b n GLY 149 Ca -0.10 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 3h8b n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8b s ILE 150 N -0.57 4.61 -0.01 -0.61 1.01 -1.26 -3.99 121.20 120.38 3h8b s ILE 150 Ca 0.00 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 3h8b s ILE 150 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 3h8b s ILE 150 CO 0.00 -0.60 1.40 -0.47 0.00 0.00 0.00 174.94 175.27 3h8b s TYR 151 N 3.40 2.82 -0.24 3.97 5.04 0.25 -4.83 117.35 127.76 3h8b s TYR 151 Ca 0.35 0.81 -0.03 0.00 -2.44 0.00 0.00 57.07 55.75 3h8b s TYR 151 Cb -0.12 -3.66 0.10 0.00 0.35 0.00 0.00 41.96 38.63 3h8b s TYR 151 CO 0.20 -2.44 0.21 0.12 -1.34 0.00 0.00 175.55 172.30 3h8b s PHE 152 N 2.52 -0.16 -0.35 4.97 5.36 -1.26 -1.77 117.98 127.28 3h8b s PHE 152 Ca 0.64 -0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 56.34 3h8b s PHE 152 Cb -0.31 -0.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 3h8b s PHE 152 CO 0.26 -0.71 0.24 -2.00 -1.46 0.00 0.00 175.22 171.55 3h8b s GLU 153 N 2.27 3.33 0.44 10.12 2.56 -1.26 -4.97 118.70 131.20 3h8b s GLU 153 Ca 0.07 -0.76 0.17 0.00 0.00 0.00 0.00 54.97 54.45 3h8b s GLU 153 Cb -0.15 -3.82 1.10 0.00 2.00 0.00 0.00 34.13 33.25 3h8b s GLU 153 CO -0.21 -0.52 1.94 -1.35 -0.56 0.00 0.00 175.26 174.56 3h8b h PRO 154 N 8.51 0.35 -0.48 4.30 0.11 -2.04 -1.07 132.00 141.67 3h8b h PRO 154 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3h8b h PRO 154 Cb 1.15 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h8b h PRO 154 CO 0.65 0.23 0.00 -3.47 -0.21 0.00 0.00 178.00 175.20 3h8b n ASP 155 N -4.46 2.26 -4.77 -2.05 2.03 -1.26 -4.94 116.55 103.35 3h8b n ASP 155 Ca 0.13 -2.12 -0.37 0.00 0.52 0.00 0.00 54.79 52.95 3h8b n ASP 155 Cb 0.51 -0.33 -0.01 0.00 -0.72 0.00 0.00 41.12 40.56 3h8b n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h8b s SER 157 N -1.37 3.94 -0.08 0.00 0.15 -1.26 -4.73 113.70 110.35 3h8b s SER 157 Ca 0.63 -0.25 0.17 0.00 0.70 0.00 0.00 55.95 57.20 3h8b s SER 157 Cb -0.28 -0.78 0.61 0.00 -1.71 0.00 0.00 66.02 63.86 3h8b s SER 157 CO 0.34 0.33 1.50 -1.54 1.20 0.00 0.00 173.24 175.07 3h8b n SER 158 N 2.19 4.01 0.00 5.45 3.41 -1.26 -3.50 113.62 123.92 3h8b n SER 158 Ca -0.17 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 3h8b n SER 158 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3h8b n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h8b n GLU 159 N 1.04 2.86 -1.17 4.33 1.02 -1.26 -4.50 120.64 122.95 3h8b n GLU 159 Ca 0.22 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.28 3h8b n GLU 159 Cb 0.73 -0.69 0.14 0.00 -0.02 0.00 0.00 31.44 31.60 3h8b n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h8b n ASP 160 N -0.97 3.25 -4.54 1.62 5.75 -1.26 -5.06 116.55 115.35 3h8b n ASP 160 Ca 0.00 -3.83 -0.56 0.00 -0.01 0.00 0.00 54.79 50.40 3h8b n ASP 160 Cb 0.00 -0.51 -0.07 0.00 -1.03 0.00 0.00 41.12 39.51 3h8b n ASP 160 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3h8b n MET 161 N -0.97 0.50 -0.02 0.11 2.81 -1.26 -4.80 117.12 113.49 3h8b n MET 161 Ca 0.33 0.18 0.01 0.00 -1.81 0.00 0.00 57.70 56.40 3h8b n MET 161 Cb 0.86 -1.73 0.01 0.00 -0.71 0.00 0.00 33.22 31.64 3h8b n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3h8b n ASP 162 N 1.94 1.28 -3.64 7.83 5.75 -0.55 -4.86 116.55 124.30 3h8b n ASP 162 Ca 0.19 -1.73 -0.16 0.00 -0.01 0.00 0.00 54.79 53.08 3h8b n ASP 162 Cb 0.13 -0.03 -0.14 0.00 -1.03 0.00 0.00 41.12 40.05 3h8b n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h8b s HIS 163 N -0.74 -0.28 0.09 2.11 5.04 -0.83 -4.90 115.29 115.78 3h8b s HIS 163 Ca 0.02 0.69 -0.28 0.00 -1.54 0.00 0.00 55.06 53.94 3h8b s HIS 163 Cb 0.02 -0.20 -0.06 0.00 0.04 0.00 0.00 32.58 32.38 3h8b s HIS 163 CO 0.00 -0.35 0.89 0.20 -2.34 0.00 0.00 174.74 173.15 3h8b s GLY 164 N 2.34 2.93 0.05 1.59 0.00 -1.26 -1.03 107.32 111.94 3h8b s GLY 164 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3h8b s GLY 164 CO -0.08 1.32 0.05 3.33 0.00 0.00 0.00 173.10 177.73 3h8b n VAL 165 N 2.78 0.00 -4.18 1.40 0.24 0.17 -4.67 118.33 114.06 3h8b n VAL 165 Ca 0.01 -0.28 -0.25 0.00 -2.04 0.00 0.00 64.34 61.78 3h8b n VAL 165 Cb 0.50 0.15 -0.17 0.00 -1.47 0.00 0.00 33.84 32.85 3h8b n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h8b s LEU 166 N 0.00 1.35 -0.36 1.34 2.96 -0.86 -2.09 118.68 121.02 3h8b s LEU 166 Ca 0.04 -0.27 -0.23 0.00 -0.22 0.00 0.00 54.13 53.45 3h8b s LEU 166 Cb 0.00 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3h8b s LEU 166 CO 0.03 -0.06 0.77 -0.69 -1.32 0.00 0.00 176.35 175.09 3h8b s VAL 167 N 1.24 4.75 -2.13 1.68 1.01 0.07 -0.42 120.40 126.60 3h8b s VAL 167 Ca -0.04 0.88 0.19 0.00 0.00 0.00 0.00 61.98 63.01 3h8b s VAL 167 Cb -0.14 -4.20 0.31 0.00 0.00 0.00 0.00 36.38 32.35 3h8b s VAL 167 CO -0.03 -0.42 1.26 1.33 0.00 0.00 0.00 175.10 177.24 3h8b n VAL 168 N 5.76 0.41 -3.85 2.92 0.24 -0.01 -1.01 118.33 122.79 3h8b n VAL 168 Ca 0.03 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3h8b n VAL 168 Cb 0.48 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3h8b n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8b n GLY 169 N 1.18 -0.74 3.59 7.63 0.00 -1.21 -0.85 105.19 114.78 3h8b n GLY 169 Ca 0.15 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 3h8b n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h8b s TYR 170 N -3.00 -0.33 0.00 1.61 -0.85 0.69 -0.94 117.35 114.54 3h8b s TYR 170 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3h8b s TYR 170 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3h8b s TYR 170 CO 0.00 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 173.65 3h8b n GLY 171 N -0.36 1.85 3.21 5.49 0.00 -0.36 -1.00 105.19 114.02 3h8b n GLY 171 Ca -0.10 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 3h8b n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8b s PHE 172 N -2.14 -0.14 0.15 1.61 -0.71 -1.26 -1.63 117.98 113.85 3h8b s PHE 172 Ca 0.00 0.21 0.05 0.00 -1.04 0.00 0.00 56.93 56.15 3h8b s PHE 172 Cb 0.00 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 3h8b s PHE 172 CO 0.00 -0.36 0.11 -1.21 -1.34 0.00 0.00 175.22 172.43 3h8b s GLU 173 N -1.26 2.86 0.00 1.99 2.02 -1.26 -5.01 118.70 118.04 3h8b s GLU 173 Ca -0.13 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 3h8b s GLU 173 Cb -0.06 -2.64 -0.16 0.00 0.10 0.00 0.00 34.13 31.37 3h8b s GLU 173 CO 0.03 0.50 2.44 0.43 0.02 0.00 0.00 175.26 178.68 3h8b n SER 174 N -0.15 3.40 0.00 -0.19 7.64 -1.26 -4.90 113.62 118.15 3h8b n SER 174 Ca -0.08 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.68 3h8b n SER 174 Cb 0.54 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 3h8b n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h8b n ASN 180 N 2.61 0.00 -4.93 6.43 6.94 -1.26 -5.29 115.26 119.76 3h8b n ASN 180 Ca 0.26 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.54 3h8b n ASN 180 Cb 0.58 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 3h8b n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h8b s LYS 181 N 0.00 3.48 0.11 -3.83 1.02 -1.26 -4.36 119.74 114.90 3h8b s LYS 181 Ca 0.00 -0.43 -0.17 0.00 0.02 0.00 0.00 55.97 55.39 3h8b s LYS 181 Cb 0.00 -2.93 0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3h8b s LYS 181 CO 0.00 0.49 0.42 1.52 -0.92 0.00 0.00 175.35 176.86 3h8b s TYR 182 N -1.73 -0.25 -0.14 3.18 -0.85 -0.64 -1.80 117.35 115.12 3h8b s TYR 182 Ca 0.37 0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.83 3h8b s TYR 182 Cb -0.12 0.27 -0.05 0.00 0.38 0.00 0.00 41.96 42.45 3h8b s TYR 182 CO 0.28 -0.68 0.20 -1.58 -1.52 0.00 0.00 175.55 172.25 3h8b s TRP 183 N -3.45 3.52 -0.43 -3.49 0.52 0.11 -1.22 118.94 114.49 3h8b s TRP 183 Ca 0.01 0.53 -0.24 0.00 0.02 0.00 0.00 56.10 56.41 3h8b s TRP 183 Cb 0.01 -2.15 0.02 0.00 -1.15 0.00 0.00 33.47 30.20 3h8b s TRP 183 CO -0.09 0.46 0.85 -1.17 0.02 0.00 0.00 176.95 177.01 3h8b s LEU 184 N -0.20 4.11 -0.14 2.99 0.20 -0.11 -1.57 118.68 123.95 3h8b s LEU 184 Ca 0.14 0.14 0.01 0.00 0.69 0.00 0.00 54.13 55.11 3h8b s LEU 184 Cb -0.12 -3.09 -0.00 0.00 -0.43 0.00 0.00 46.19 42.54 3h8b s LEU 184 CO 0.03 -0.92 -0.18 -0.69 -0.29 0.00 0.00 176.35 174.30 3h8b s VAL 185 N 3.45 2.48 -0.21 1.68 1.01 -0.33 -0.83 120.40 127.64 3h8b s VAL 185 Ca 0.34 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.26 3h8b s VAL 185 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3h8b s VAL 185 CO 0.22 0.53 0.64 -0.75 0.00 0.00 0.00 175.10 175.75 3h8b s LYS 186 N 0.69 4.20 0.54 2.72 2.20 0.44 -0.75 119.74 129.77 3h8b s LYS 186 Ca -0.08 0.63 0.08 0.00 -0.36 0.00 0.00 55.97 56.23 3h8b s LYS 186 Cb -0.16 -3.59 0.06 0.00 -1.51 0.00 0.00 37.83 32.63 3h8b s LYS 186 CO 0.02 -0.28 0.74 1.21 -0.36 0.00 0.00 175.35 176.67 3h8b s ASN 187 N 1.25 5.22 -0.31 1.43 2.47 -0.64 -2.02 114.94 122.34 3h8b s ASN 187 Ca 0.29 -0.60 0.10 0.00 0.42 0.00 0.00 52.86 53.06 3h8b s ASN 187 Cb -0.16 -0.13 0.46 0.00 -1.45 0.00 0.00 41.25 39.98 3h8b s ASN 187 CO 0.10 -1.19 1.16 -1.54 -3.72 0.00 0.00 177.10 171.91 3h8b n SER 188 N -2.18 4.27 -0.93 -4.21 3.41 -1.26 -4.54 113.62 108.17 3h8b n SER 188 Ca 0.13 -3.44 0.02 0.00 -0.26 0.00 0.00 58.87 55.31 3h8b n SER 188 Cb 0.60 -0.38 0.21 0.00 -0.26 0.00 0.00 64.21 64.38 3h8b n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h8b n TRP 189 N -0.64 0.86 0.00 7.33 8.01 -1.21 0.08 117.44 131.87 3h8b n TRP 189 Ca 0.37 -1.32 0.00 0.00 -1.31 0.00 0.00 57.50 55.23 3h8b n TRP 189 Cb 0.90 -0.39 0.00 0.00 -2.01 0.00 0.00 31.31 29.81 3h8b n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h8b n GLY 190 N -0.98 -1.37 0.33 6.99 0.00 -0.56 -4.44 105.19 105.16 3h8b n GLY 190 Ca 0.27 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.84 3h8b n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h8b n GLU 191 N -1.51 1.44 0.00 1.61 0.28 -1.26 -3.67 120.64 117.54 3h8b n GLU 191 Ca 0.00 -0.65 0.13 0.00 -0.16 0.00 0.00 57.16 56.48 3h8b n GLU 191 Cb 0.00 -1.45 0.34 0.00 1.43 0.00 0.00 31.44 31.76 3h8b n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3h8b n GLU 192 N -0.19 1.29 -3.97 3.44 -0.58 -1.26 -3.37 120.64 116.01 3h8b n GLU 192 Ca 0.19 -0.86 -0.35 0.00 -0.42 0.00 0.00 57.16 55.72 3h8b n GLU 192 Cb 0.26 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 3h8b n GLU 192 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3h8b s TRP 193 N -2.30 3.50 0.00 -0.32 -0.00 -1.24 -4.93 118.94 113.65 3h8b s TRP 193 Ca 0.28 0.41 0.00 0.00 -0.00 0.00 0.00 56.10 56.78 3h8b s TRP 193 Cb 0.20 -1.87 0.00 0.00 -0.00 0.00 0.00 33.47 31.80 3h8b s TRP 193 CO 0.45 0.66 0.00 0.41 -0.00 0.00 0.00 176.95 178.47 3h8b n GLY 194 N 1.61 2.07 3.40 5.86 0.00 -0.85 -0.29 105.19 116.99 3h8b n GLY 194 Ca -0.16 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 3h8b n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h8b s MET 195 N 0.00 3.92 -1.56 1.61 -1.94 -0.17 -4.33 119.30 116.83 3h8b s MET 195 Ca 0.00 -2.57 -0.02 0.00 -1.71 0.00 0.00 55.69 51.39 3h8b s MET 195 Cb 0.00 -4.76 0.00 0.00 2.01 0.00 0.00 34.83 32.08 3h8b s MET 195 CO 0.00 -1.52 0.30 0.41 -0.01 0.00 0.00 175.02 174.20 3h8b n GLY 196 N 3.97 -0.44 1.33 -0.03 0.00 -1.24 -1.94 105.19 106.84 3h8b n GLY 196 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3h8b n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8b n GLY 197 N -1.26 0.74 3.71 -0.02 0.00 0.60 -4.60 105.19 104.36 3h8b n GLY 197 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3h8b n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8b s TYR 198 N -2.87 2.86 -0.00 1.61 1.51 -0.82 -1.62 117.35 118.02 3h8b s TYR 198 Ca 0.00 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3h8b s TYR 198 Cb 0.00 -1.29 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 3h8b s TYR 198 CO 0.00 0.58 -0.03 0.54 -1.11 0.00 0.00 175.55 175.52 3h8b s VAL 199 N -2.19 0.27 -0.56 0.71 0.11 0.07 -1.00 120.40 117.81 3h8b s VAL 199 Ca 0.31 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.98 3h8b s VAL 199 Cb -0.07 -0.24 0.08 0.00 -1.53 0.00 0.00 36.38 34.62 3h8b s VAL 199 CO 0.21 0.04 0.68 -0.54 -3.33 0.00 0.00 175.10 172.16 3h8b s LYS 200 N -0.17 3.08 0.05 1.54 1.02 -1.26 -1.19 119.74 122.82 3h8b s LYS 200 Ca 0.00 -1.13 -0.20 0.00 0.02 0.00 0.00 55.97 54.67 3h8b s LYS 200 Cb -0.02 -4.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.03 3h8b s LYS 200 CO -0.00 -1.41 0.58 -1.64 -0.92 0.00 0.00 175.35 171.96 3h8b s MET 201 N 2.70 4.25 -0.03 1.68 -1.94 -0.61 0.84 119.30 126.19 3h8b s MET 201 Ca 0.13 0.75 -0.37 0.00 -1.71 0.00 0.00 55.69 54.50 3h8b s MET 201 Cb -0.22 -3.27 -0.15 0.00 2.01 0.00 0.00 34.83 33.20 3h8b s MET 201 CO 0.09 0.55 1.57 0.00 -0.01 0.00 0.00 175.02 177.22 3h8b n ALA 202 N 2.05 -0.08 -2.63 3.03 0.00 -0.73 0.05 120.51 122.20 3h8b n ALA 202 Ca -0.09 0.44 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 3h8b n ALA 202 Cb 0.51 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3h8b n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h8b s LYS 203 N 1.93 2.61 -1.43 0.00 2.20 -0.74 -4.58 119.74 119.72 3h8b s LYS 203 Ca 0.89 -0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 55.71 3h8b s LYS 203 Cb -0.90 -2.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3h8b s LYS 203 CO 0.51 0.60 0.88 -0.25 -0.36 0.00 0.00 175.35 176.73 3h8b n ASP 204 N 1.38 -3.41 -2.86 1.43 8.00 -1.26 -4.60 116.55 115.23 3h8b n ASP 204 Ca -0.15 -0.78 -0.24 0.00 0.71 0.00 0.00 54.79 54.33 3h8b n ASP 204 Cb 0.52 -4.03 -0.03 0.00 -0.02 0.00 0.00 41.12 37.57 3h8b n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h8b n ARG 205 N -4.54 2.81 -3.54 -1.24 5.12 -1.26 -4.93 116.66 109.08 3h8b n ARG 205 Ca -0.10 -4.46 -0.20 0.00 -1.93 0.00 0.00 57.85 51.17 3h8b n ARG 205 Cb 0.59 -2.10 0.07 0.00 -1.16 0.00 0.00 32.46 29.87 3h8b n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h8b n ARG 206 N -0.21 -6.44 -3.68 5.56 1.74 -1.26 -2.61 116.66 109.76 3h8b n ARG 206 Ca 0.30 0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 57.95 3h8b n ARG 206 Cb 0.52 -5.71 0.03 0.00 -1.02 0.00 0.00 32.46 26.28 3h8b n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h8b n ASN 207 N -3.08 -1.67 -4.66 0.55 5.15 -1.26 -4.82 115.26 105.47 3h8b n ASN 207 Ca -0.23 -0.83 -0.49 0.00 -0.60 0.00 0.00 54.58 52.43 3h8b n ASN 207 Cb 0.65 -4.04 -0.05 0.00 -0.53 0.00 0.00 39.78 35.80 3h8b n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h8b n HIS 208 N -4.22 2.09 -1.33 1.20 -0.00 -1.07 -0.90 115.22 110.99 3h8b n HIS 208 Ca -0.28 0.32 -0.11 0.00 -0.00 0.00 0.00 57.72 57.65 3h8b n HIS 208 Cb 0.67 -2.51 -0.05 0.00 -0.00 0.00 0.00 29.99 28.10 3h8b n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h8b n GLY 210 N -0.49 0.93 0.41 0.00 0.00 -0.08 -1.26 105.19 104.70 3h8b n GLY 210 Ca -0.11 -0.38 0.20 0.00 0.00 0.00 0.00 46.02 45.73 3h8b n GLY 210 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h8b h ILE 211 N 0.00 0.64 -0.04 -0.61 2.04 -1.68 -0.68 117.51 117.18 3h8b h ILE 211 Ca -0.29 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3h8b h ILE 211 Cb 0.98 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3h8b h ILE 211 CO 0.39 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.62 3h8b n ALA 212 N -2.51 2.54 0.53 1.87 0.00 -1.26 -4.38 120.51 117.29 3h8b n ALA 212 Ca 0.21 -0.52 0.12 0.00 0.00 0.00 0.00 53.44 53.25 3h8b n ALA 212 Cb 0.75 -1.07 0.26 0.00 0.00 0.00 0.00 19.45 19.39 3h8b n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h8b h SER 213 N 2.94 0.00 -1.00 0.00 0.02 -1.41 -3.36 113.55 110.73 3h8b h SER 213 Ca 0.00 -0.08 -0.36 0.00 -0.84 0.00 0.00 61.79 60.51 3h8b h SER 213 Cb 0.63 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.82 3h8b h SER 213 CO 0.00 0.04 -1.02 0.00 -1.14 0.00 0.00 176.83 174.71 3h8b n ALA 214 N -1.86 2.52 -2.72 3.77 0.00 -1.26 -4.90 120.51 116.05 3h8b n ALA 214 Ca 0.04 -2.80 -0.37 0.00 0.00 0.00 0.00 53.44 50.31 3h8b n ALA 214 Cb 0.45 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.88 3h8b n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8b s ALA 215 N -2.25 3.70 0.23 0.00 0.00 -1.26 -3.41 121.76 118.77 3h8b s ALA 215 Ca 0.29 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 3h8b s ALA 215 Cb 0.42 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3h8b s ALA 215 CO -0.01 0.32 0.63 -1.54 0.00 0.00 0.00 175.76 175.16 3h8b s SER 216 N -0.27 -0.32 0.05 0.00 1.04 -0.29 -1.07 113.70 112.84 3h8b s SER 216 Ca 0.17 -0.46 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 3h8b s SER 216 Cb -0.13 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3h8b s SER 216 CO 0.05 -1.19 0.33 -0.72 0.98 0.00 0.00 173.24 172.70 3h8b s TYR 217 N -3.88 -0.15 0.38 5.02 1.13 -0.82 -1.10 117.35 117.93 3h8b s TYR 217 Ca 0.09 0.03 -0.09 0.00 -1.41 0.00 0.00 57.07 55.70 3h8b s TYR 217 Cb -0.03 0.13 -0.06 0.00 -1.10 0.00 0.00 41.96 40.90 3h8b s TYR 217 CO 0.00 -0.52 0.71 -1.25 -2.51 0.00 0.00 175.55 171.98 3h8b s PRO 218 N -2.56 3.72 -0.32 -3.49 0.04 -1.26 -0.03 135.00 131.10 3h8b s PRO 218 Ca -0.05 0.32 -0.07 0.00 0.04 0.00 0.00 61.00 61.24 3h8b s PRO 218 Cb -0.01 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.09 3h8b s PRO 218 CO -0.03 0.02 0.10 0.95 0.04 0.00 0.00 177.00 178.08 3h8b s THR 219 N -2.32 3.93 -2.24 1.26 -4.23 -0.33 -4.88 115.64 106.83 3h8b s THR 219 Ca 0.49 -0.88 0.18 0.00 -1.18 0.00 0.00 61.69 60.30 3h8b s THR 219 Cb -0.10 -3.12 0.14 0.00 1.34 0.00 0.00 72.50 70.76 3h8b s THR 219 CO 0.32 -0.04 1.07 1.33 -0.54 0.00 0.00 174.62 176.75