#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8b s PRO 2 N 0.00 1.24 0.37 0.00 0.02 -1.26 -4.91 135.00 130.46 3h8b s PRO 2 Ca 0.00 1.61 0.13 0.00 0.02 0.00 0.00 61.00 62.76 3h8b s PRO 2 Cb 0.00 -1.75 0.73 0.00 0.02 0.00 0.00 34.50 33.50 3h8b s PRO 2 CO 0.00 -2.48 1.82 0.00 -0.33 0.00 0.00 177.00 176.01 3h8b h ARG 3 N -1.55 0.00 -3.15 5.54 2.47 -2.03 -3.44 114.38 112.22 3h8b h ARG 3 Ca -0.44 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.12 3h8b h ARG 3 Cb 1.28 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.34 3h8b h ARG 3 CO 0.43 0.38 -0.43 -1.12 0.56 0.00 0.00 179.97 179.79 3h8b s SER 4 N -6.88 -0.24 -0.01 7.04 0.01 -1.26 -4.47 113.70 107.88 3h8b s SER 4 Ca -0.03 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.70 3h8b s SER 4 Cb 0.14 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.86 3h8b s SER 4 CO 0.72 -0.11 -0.04 -0.69 0.41 0.00 0.00 173.24 173.53 3h8b s VAL 5 N 0.03 0.38 -0.34 3.43 1.01 0.28 -4.95 120.40 120.23 3h8b s VAL 5 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3h8b s VAL 5 Cb -0.02 -0.35 0.16 0.00 0.00 0.00 0.00 36.38 36.17 3h8b s VAL 5 CO 0.01 0.13 0.42 -0.62 0.00 0.00 0.00 175.10 175.03 3h8b s ASP 6 N 0.13 0.55 0.31 3.32 -1.08 -1.26 -0.58 116.67 118.06 3h8b s ASP 6 Ca -0.01 -0.98 0.23 0.00 -0.52 0.00 0.00 52.55 51.26 3h8b s ASP 6 Cb -0.05 0.95 1.12 0.00 -1.46 0.00 0.00 42.92 43.48 3h8b s ASP 6 CO -0.00 -0.29 1.69 0.79 0.52 0.00 0.00 175.17 177.88 3h8b n TRP 7 N 4.74 0.79 0.23 -5.34 7.02 -0.42 -1.64 117.44 122.82 3h8b n TRP 7 Ca 0.06 0.37 0.06 0.00 -1.02 0.00 0.00 57.50 56.98 3h8b n TRP 7 Cb 0.48 -1.09 0.54 0.00 -2.42 0.00 0.00 31.31 28.82 3h8b n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h8b h ARG 8 N 0.00 0.00 0.00 -0.99 3.08 -1.95 -1.88 114.38 112.63 3h8b h ARG 8 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3h8b h ARG 8 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3h8b h ARG 8 CO 0.00 0.15 -0.13 0.93 -1.07 0.00 0.00 179.97 179.85 3h8b h GLU 9 N 0.00 0.00 -0.37 0.04 5.08 -1.72 -3.02 114.58 114.59 3h8b h GLU 9 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h8b h GLU 9 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3h8b h GLU 9 CO 0.02 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3h8b n LYS 10 N -3.75 2.46 -0.85 2.33 4.76 -0.71 -4.97 118.16 117.43 3h8b n LYS 10 Ca -0.02 -2.25 0.00 0.00 -2.87 0.00 0.00 58.31 53.17 3h8b n LYS 10 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 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 1.44 0.52 0.13 0.72 0.00 -1.14 -4.94 105.19 101.91 3h8b n GLY 11 Ca 0.19 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3h8b n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h8b h TYR 12 N 0.00 0.00 -3.77 1.61 -1.99 -1.79 -3.45 116.97 107.58 3h8b h TYR 12 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 3h8b h TYR 12 Cb 0.00 0.00 -0.29 0.00 2.00 0.00 0.00 36.73 38.44 3h8b h TYR 12 CO 0.00 0.00 -0.83 0.08 -0.00 0.00 0.00 178.16 177.41 3h8b s VAL 13 N -3.14 2.48 0.75 -2.88 1.01 -1.26 -3.64 120.40 113.72 3h8b s VAL 13 Ca 0.09 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3h8b s VAL 13 Cb 0.11 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.59 3h8b s VAL 13 CO 0.63 0.56 1.10 0.42 0.00 0.00 0.00 175.10 177.81 3h8b s THR 14 N -0.09 2.30 0.97 3.92 -4.23 -1.26 -5.02 115.64 112.24 3h8b s THR 14 Ca -0.04 -0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.29 3h8b s THR 14 Cb -0.14 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.82 3h8b s THR 14 CO 0.04 -0.07 1.11 -2.84 -0.54 0.00 0.00 174.62 172.31 3h8b s PRO 15 N -5.41 0.58 0.21 3.99 0.02 -1.26 -4.91 135.00 128.21 3h8b s PRO 15 Ca 0.61 1.27 -0.30 0.00 0.02 0.00 0.00 61.00 62.60 3h8b s PRO 15 Cb -0.11 -1.70 -0.09 0.00 0.02 0.00 0.00 34.50 32.63 3h8b s PRO 15 CO 0.47 -2.84 1.30 0.08 -0.33 0.00 0.00 177.00 175.68 3h8b s VAL 16 N -2.64 3.21 0.51 3.83 1.01 -1.26 -5.03 120.40 120.02 3h8b s VAL 16 Ca 0.67 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.73 3h8b s VAL 16 Cb -0.23 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3h8b s VAL 16 CO 0.60 0.16 0.49 -0.54 0.00 0.00 0.00 175.10 175.80 3h8b s LYS 17 N -0.22 2.37 -0.18 2.72 1.02 -1.26 -4.72 119.74 119.48 3h8b s LYS 17 Ca 0.56 -1.75 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 3h8b s LYS 17 Cb -0.36 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.67 3h8b s LYS 17 CO 0.39 -0.52 -0.01 1.21 -0.92 0.00 0.00 175.35 175.50 3h8b s ASN 18 N -4.32 2.87 0.38 2.83 3.84 -1.26 -1.15 114.94 118.14 3h8b s ASN 18 Ca 0.46 -0.74 0.28 0.00 0.21 0.00 0.00 52.86 53.06 3h8b s ASN 18 Cb -0.04 -0.75 1.12 0.00 -0.55 0.00 0.00 41.25 41.03 3h8b s ASN 18 CO 0.28 -0.25 1.83 0.06 -2.79 0.00 0.00 177.10 176.23 3h8b h GLN 19 N 8.18 0.00 0.00 0.43 3.07 -0.96 -3.47 115.11 122.35 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 0.11 0.44 2.68 0.06 0.00 -1.26 -3.83 105.19 103.38 3h8b n GLY 20 Ca 0.02 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 3.55 -3.66 1.61 6.02 -1.26 -4.81 117.38 118.83 3h8b n GLN 21 Ca 0.00 -3.03 -0.11 0.00 -0.01 0.00 0.00 57.00 53.85 3h8b n GLN 21 Cb 0.00 -2.97 -0.08 0.00 1.02 0.00 0.00 30.24 28.21 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 3.57 3.87 1.22 0.00 0.00 0.43 -4.43 105.19 109.85 3h8b n GLY 23 Ca -0.18 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.54 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 3.35 4.27 -0.26 1.61 3.41 -1.26 -3.12 113.62 121.61 3h8b n SER 24 Ca 0.68 -2.62 0.16 0.00 -0.26 0.00 0.00 58.87 56.83 3h8b n SER 24 Cb 0.39 -0.52 0.44 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.55 0.17 -0.10 0.00 5.08 -1.82 -0.47 115.95 119.37 3h8b h TRP 26 Ca 0.47 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 60.24 3h8b h TRP 26 Cb 0.98 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3h8b h TRP 26 CO -0.00 0.11 -0.80 0.00 -1.28 0.00 0.00 178.44 176.47 3h8b h ALA 27 N 1.91 0.42 -0.10 0.11 0.00 -1.27 -1.99 119.26 118.33 3h8b h ALA 27 Ca 0.05 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 3h8b h ALA 27 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h8b h ALA 27 CO -0.01 0.73 -0.55 0.74 0.00 0.00 0.00 179.25 180.16 3h8b h PHE 28 N 0.39 0.39 -0.39 0.00 -1.00 -1.13 0.15 116.94 115.35 3h8b h PHE 28 Ca -0.05 -0.14 -0.11 0.00 2.81 0.00 0.00 57.97 60.48 3h8b h PHE 28 Cb 1.41 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.88 3h8b h PHE 28 CO 0.07 0.79 -0.20 1.03 -1.61 0.00 0.00 178.31 178.38 3h8b h SER 29 N 0.24 0.86 -0.09 2.17 0.87 -1.13 -1.08 113.55 115.39 3h8b h SER 29 Ca 0.00 -0.41 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 3h8b h SER 29 Cb 1.04 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3h8b h SER 29 CO 0.09 1.08 0.02 0.00 -0.53 0.00 0.00 176.83 177.49 3h8b h ALA 30 N 0.81 0.12 -0.25 6.23 0.00 -1.07 -1.12 119.26 123.98 3h8b h ALA 30 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h8b h ALA 30 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h8b h ALA 30 CO 0.06 -0.23 0.01 1.79 0.00 0.00 0.00 179.25 180.88 3h8b h THR 31 N -0.08 1.15 -0.31 0.00 1.35 -0.99 -0.85 112.91 113.19 3h8b h THR 31 Ca 0.03 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 3h8b h THR 31 Cb 0.28 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3h8b h THR 31 CO 0.00 0.19 0.09 1.23 -0.25 0.00 0.00 175.52 176.79 3h8b h GLY 32 N 0.65 0.51 1.34 5.82 0.00 -0.85 0.59 103.07 111.14 3h8b h GLY 32 Ca 0.08 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 3h8b h GLY 32 CO 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 176.54 176.55 3h8b h ALA 33 N 0.93 0.84 -0.32 3.60 0.00 -0.76 -2.69 119.26 120.87 3h8b h ALA 33 Ca 0.10 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3h8b h ALA 33 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h8b h ALA 33 CO -0.00 0.64 -0.33 1.25 0.00 0.00 0.00 179.25 180.80 3h8b h LEU 34 N 0.64 0.85 -0.82 0.00 6.46 -1.06 -2.16 115.31 119.22 3h8b h LEU 34 Ca 0.08 -0.47 0.13 0.00 -0.12 0.00 0.00 57.88 57.49 3h8b h LEU 34 Cb 0.80 -0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.40 3h8b h LEU 34 CO 0.07 1.15 0.42 -0.33 -0.62 0.00 0.00 178.44 179.13 3h8b h GLU 35 N 0.56 0.62 -0.24 1.25 5.08 -0.77 0.41 114.58 121.50 3h8b h GLU 35 Ca 0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3h8b h GLU 35 Cb 0.92 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3h8b h GLU 35 CO 0.08 0.41 0.01 0.78 -1.00 0.00 0.00 179.01 179.29 3h8b h GLY 36 N 0.64 0.44 1.37 -3.84 0.00 -1.32 -1.91 103.07 98.45 3h8b h GLY 36 Ca 0.43 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 3h8b h GLY 36 CO -0.33 0.29 -0.24 1.46 0.00 0.00 0.00 176.54 177.72 3h8b h GLN 37 N 0.19 0.72 -0.60 4.80 1.08 -0.65 -1.22 115.11 119.42 3h8b h GLN 37 Ca 0.07 -0.29 -0.07 0.00 -1.45 0.00 0.00 58.65 56.91 3h8b h GLN 37 Cb 0.38 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 3h8b h GLN 37 CO 0.01 0.89 0.10 0.52 -0.95 0.00 0.00 178.83 179.39 3h8b h MET 38 N 0.63 0.98 -0.31 1.46 2.86 -0.17 -2.36 114.93 118.02 3h8b h MET 38 Ca 0.09 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3h8b h MET 38 Cb 0.74 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3h8b h MET 38 CO 0.06 0.90 0.08 0.35 1.06 0.00 0.00 176.91 179.36 3h8b h PHE 39 N 0.92 0.51 -0.05 -0.22 3.57 -1.07 0.26 116.94 120.86 3h8b h PHE 39 Ca 0.19 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3h8b h PHE 39 Cb 0.40 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3h8b h PHE 39 CO 0.03 0.54 0.08 -0.09 -2.23 0.00 0.00 178.31 176.64 3h8b h ARG 40 N 0.33 0.00 0.06 1.11 2.43 -1.02 0.32 114.38 117.61 3h8b h ARG 40 Ca 0.10 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.91 3h8b h ARG 40 Cb 0.29 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3h8b h ARG 40 CO 0.00 0.00 -2.10 1.17 -1.51 0.00 0.00 179.97 177.53 3h8b n LYS 41 N -3.62 0.71 -0.00 0.20 4.81 -0.72 -4.61 118.16 114.92 3h8b n LYS 41 Ca -0.02 0.22 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 3h8b n LYS 41 Cb 0.17 -1.66 0.01 0.00 0.02 0.00 0.00 35.03 33.57 3h8b n LYS 41 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3h8b n THR 42 N -3.30 0.03 -0.95 3.15 -2.24 0.85 -4.97 114.28 106.86 3h8b n THR 42 Ca -0.33 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3h8b n THR 42 Cb 1.04 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.31 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 0.13 0.17 3.38 3.38 0.00 0.11 -4.96 105.19 107.40 3h8b n GLY 43 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.31 2.74 -0.37 1.61 0.52 -1.26 -5.03 118.95 115.85 3h8b s ARG 44 Ca 0.00 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 3h8b s ARG 44 Cb 0.00 -2.37 0.03 0.00 0.52 0.00 0.00 34.95 33.13 3h8b s ARG 44 CO 0.00 0.44 0.20 -1.17 0.02 0.00 0.00 175.30 174.79 3h8b s LEU 45 N -0.26 4.69 -0.14 2.53 2.96 -1.26 -3.59 118.68 123.61 3h8b s LEU 45 Ca 0.01 -1.01 0.02 0.00 -0.22 0.00 0.00 54.13 52.93 3h8b s LEU 45 Cb -0.13 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.56 3h8b s LEU 45 CO 0.03 -0.38 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.86 3h8b s ILE 46 N 1.54 1.82 0.42 6.68 -1.09 -1.26 -5.11 121.20 124.20 3h8b s ILE 46 Ca 0.02 -0.82 -0.26 0.00 -2.23 0.00 0.00 60.65 57.36 3h8b s ILE 46 Cb -0.19 -1.64 -0.08 0.00 -1.58 0.00 0.00 42.46 38.96 3h8b s ILE 46 CO 0.06 0.50 1.31 -0.55 -1.23 0.00 0.00 174.94 175.03 3h8b s SER 47 N 1.03 6.22 0.19 3.58 0.15 -1.26 -4.83 113.70 118.78 3h8b s SER 47 Ca -0.03 2.66 0.08 0.00 0.70 0.00 0.00 55.95 59.35 3h8b s SER 47 Cb -0.15 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.49 3h8b s SER 47 CO -0.05 -0.91 -0.03 -0.76 1.20 0.00 0.00 173.24 172.69 3h8b s LEU 48 N -2.54 3.18 -0.53 3.45 1.43 -1.26 -1.54 118.68 120.87 3h8b s LEU 48 Ca 0.58 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 3h8b s LEU 48 Cb -0.38 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3h8b s LEU 48 CO 0.48 0.08 1.27 -0.55 0.23 0.00 0.00 176.35 177.87 3h8b s SER 49 N -3.00 6.38 0.25 2.29 0.15 -0.65 -4.16 113.70 114.97 3h8b s SER 49 Ca 0.27 0.32 0.05 0.00 0.70 0.00 0.00 55.95 57.30 3h8b s SER 49 Cb -0.09 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 61.97 3h8b s SER 49 CO 0.18 -1.49 1.59 -0.33 1.20 0.00 0.00 173.24 174.39 3h8b h GLU 50 N 10.05 0.21 -0.34 5.44 3.07 -1.88 -2.97 114.58 128.16 3h8b h GLU 50 Ca -0.25 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.42 3h8b h GLU 50 Cb 1.07 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.98 3h8b h GLU 50 CO 1.16 0.72 -0.02 0.37 -1.40 0.00 0.00 179.01 179.85 3h8b h GLN 51 N 0.16 0.54 -0.30 2.33 5.75 -1.84 -0.61 115.11 121.14 3h8b h GLN 51 Ca -0.00 -0.12 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3h8b h GLN 51 Cb 1.05 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.49 3h8b h GLN 51 CO 0.09 0.58 0.08 -0.97 -2.65 0.00 0.00 178.83 175.95 3h8b h ASN 52 N 0.52 0.06 -0.23 -0.69 -0.00 -1.78 -0.74 115.58 112.71 3h8b h ASN 52 Ca 0.11 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.44 3h8b h ASN 52 Cb 0.36 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.71 3h8b h ASN 52 CO 0.01 0.07 0.12 -0.07 -0.00 0.00 0.00 177.43 177.56 3h8b h LEU 53 N 0.20 0.29 -0.84 0.34 3.38 -1.36 -2.10 115.31 115.22 3h8b h LEU 53 Ca 0.14 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3h8b h LEU 53 Cb 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3h8b h LEU 53 CO -0.16 0.32 0.54 0.58 0.09 0.00 0.00 178.44 179.81 3h8b h VAL 54 N 0.25 1.13 0.00 1.22 2.07 -0.73 -1.47 116.25 118.71 3h8b h VAL 54 Ca 0.08 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 3h8b h VAL 54 Cb 0.10 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3h8b h VAL 54 CO -0.01 0.19 -0.65 0.44 0.02 0.00 0.00 177.57 177.56 3h8b h ASP 55 N 1.05 0.00 0.00 0.57 3.32 -1.06 -3.38 116.42 116.92 3h8b h ASP 55 Ca 0.34 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3h8b h ASP 55 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3h8b h ASP 55 CO -0.12 0.64 -1.27 0.00 -1.72 0.00 0.00 179.24 176.77 3h8b n SER 57 N -1.79 0.23 -0.13 0.00 3.41 -0.56 -4.10 113.62 110.67 3h8b n SER 57 Ca -0.03 -1.61 -0.04 0.00 -0.26 0.00 0.00 58.87 56.94 3h8b n SER 57 Cb 0.25 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.13 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 4.65 0.45 0.30 5.00 0.00 -1.82 -2.17 103.07 109.48 3h8b h GLY 58 Ca 0.00 0.04 0.17 0.00 0.00 0.00 0.00 47.33 47.54 3h8b h GLY 58 CO 0.00 -0.11 0.61 -2.55 0.00 0.00 0.00 176.54 174.50 3h8b h PRO 59 N 0.12 0.75 0.00 4.80 0.11 -1.86 0.14 132.00 136.06 3h8b h PRO 59 Ca 0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3h8b h PRO 59 Cb 0.31 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3h8b h PRO 59 CO -0.35 0.49 0.00 1.04 -0.21 0.00 0.00 178.00 178.97 3h8b n GLN 60 N -4.66 0.20 0.00 1.05 3.00 -0.84 -4.85 117.38 111.28 3h8b n GLN 60 Ca 0.21 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3h8b n GLN 60 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.26 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 0.28 0.90 3.83 1.08 0.00 0.49 -4.81 105.19 106.96 3h8b n GLY 61 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.01 6.77 -0.36 1.61 0.01 -1.07 -4.87 114.94 116.02 3h8b s ASN 62 Ca 0.00 1.58 0.06 0.00 -0.71 0.00 0.00 52.86 53.79 3h8b s ASN 62 Cb 0.00 -2.50 0.46 0.00 0.41 0.00 0.00 41.25 39.62 3h8b s ASN 62 CO 0.00 -0.45 1.39 -0.62 -1.51 0.00 0.00 177.10 175.91 3h8b n GLU 63 N -1.06 3.14 0.00 -0.60 -0.58 0.13 -4.15 120.64 117.52 3h8b n GLU 63 Ca 0.06 -3.85 0.00 0.00 -0.42 0.00 0.00 57.16 52.96 3h8b n GLU 63 Cb 0.54 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 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 -0.82 3.35 0.00 0.62 0.00 -1.22 -0.94 105.19 106.19 3h8b n GLY 64 Ca 0.46 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.15 2.64 0.00 0.00 3.02 -0.11 -0.42 115.26 119.24 3h8b n ASN 66 Ca 0.14 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 3h8b n ASN 66 Cb 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.31 2.70 0.00 7.41 0.00 -1.10 -4.92 105.19 110.59 3h8b n GLY 67 Ca 0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.58 -1.36 3.07 -0.02 0.00 -1.26 0.23 105.19 104.27 3h8b n GLY 68 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 2.05 0.39 0.99 1.43 -1.26 -4.82 118.68 117.45 3h8b s LEU 69 Ca 0.00 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3h8b s LEU 69 Cb 0.00 -0.58 0.77 0.00 0.03 0.00 0.00 46.19 46.41 3h8b s LEU 69 CO 0.00 0.12 2.04 0.24 0.23 0.00 0.00 176.35 178.98 3h8b h MET 70 N 5.71 0.65 -0.62 1.70 2.86 -1.97 -2.24 114.93 121.02 3h8b h MET 70 Ca -0.33 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3h8b h MET 70 Cb 1.17 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 3h8b h MET 70 CO 0.48 0.43 0.39 -0.44 1.06 0.00 0.00 176.91 178.83 3h8b h ASP 71 N 0.67 0.74 -0.59 1.22 3.32 -1.96 0.02 116.42 119.85 3h8b h ASP 71 Ca 0.18 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3h8b h ASP 71 Cb -0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 3h8b h ASP 71 CO -0.04 0.57 0.33 1.88 -1.72 0.00 0.00 179.24 180.26 3h8b h TYR 72 N 0.85 0.83 -0.27 4.55 0.05 -1.74 0.25 116.97 121.49 3h8b h TYR 72 Ca 0.23 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 3h8b h TYR 72 Cb -0.04 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 3h8b h TYR 72 CO -0.02 0.58 0.11 0.00 -1.05 0.00 0.00 178.16 177.79 3h8b h ALA 73 N 1.51 0.35 -0.51 3.88 0.00 -0.71 -0.89 119.26 122.89 3h8b h ALA 73 Ca 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h8b h ALA 73 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h8b h ALA 73 CO -0.03 -0.07 0.22 0.74 0.00 0.00 0.00 179.25 180.11 3h8b h PHE 74 N 0.29 0.75 -0.81 0.00 0.04 -0.33 -1.87 116.94 115.00 3h8b h PHE 74 Ca 0.09 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.88 3h8b h PHE 74 Cb 0.16 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.03 3h8b h PHE 74 CO -0.01 0.61 0.53 0.37 -0.60 0.00 0.00 178.31 179.21 3h8b h GLN 75 N 0.68 0.86 0.65 1.51 5.75 -0.33 -3.06 115.11 121.15 3h8b h GLN 75 Ca 0.17 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 3h8b h GLN 75 Cb 0.16 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.53 3h8b h GLN 75 CO -0.02 0.57 -0.31 -0.92 -2.65 0.00 0.00 178.83 175.50 3h8b h TYR 76 N 0.88 -0.80 -0.98 3.99 3.20 -0.57 -3.10 116.97 119.59 3h8b h TYR 76 Ca 0.35 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.49 3h8b h TYR 76 Cb 0.24 0.27 -0.18 0.00 1.54 0.00 0.00 36.73 38.59 3h8b h TYR 76 CO -0.00 -0.48 0.08 0.28 -1.64 0.00 0.00 178.16 176.40 3h8b n VAL 77 N -5.36 -0.41 0.15 1.81 0.31 -0.76 -0.77 118.33 113.30 3h8b n VAL 77 Ca -0.11 2.13 -0.06 0.00 -0.01 0.00 0.00 64.34 66.28 3h8b n VAL 77 Cb 0.35 -3.15 -0.03 0.00 -0.91 0.00 0.00 33.84 30.10 3h8b n VAL 77 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3h8b h GLN 78 N 0.00 -0.39 -0.63 5.55 4.15 -1.59 -0.01 115.11 122.19 3h8b h GLN 78 Ca 0.62 0.03 0.10 0.00 0.77 0.00 0.00 58.65 60.17 3h8b h GLN 78 Cb 1.34 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 29.01 3h8b h GLN 78 CO -0.90 -0.26 -0.41 -0.44 -1.93 0.00 0.00 178.83 174.90 3h8b h ASP 79 N -0.40 -1.42 0.00 -0.69 3.32 -1.13 1.00 116.42 117.11 3h8b h ASP 79 Ca -0.04 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3h8b h ASP 79 Cb 0.31 0.67 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3h8b h ASP 79 CO 0.06 -0.32 0.09 -1.13 -1.72 0.00 0.00 179.24 176.22 3h8b h ASN 80 N -0.18 0.00 0.00 6.45 -1.24 -1.01 -3.45 115.58 116.15 3h8b h ASN 80 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 3h8b h ASN 80 Cb 0.56 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.61 3h8b h ASN 80 CO -0.72 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.03 3h8b n GLY 81 N -1.19 0.59 0.00 1.57 0.00 0.35 -4.97 105.19 101.54 3h8b n GLY 81 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.82 2.20 2.91 -0.02 0.00 -0.07 -4.95 105.19 102.44 3h8b n GLY 82 Ca 0.00 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 1.35 0.73 0.99 2.96 -0.48 -4.75 118.68 119.48 3h8b s LEU 83 Ca 0.00 -0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.62 3h8b s LEU 83 Cb 0.00 -0.53 0.04 0.00 0.50 0.00 0.00 46.19 46.20 3h8b s LEU 83 CO 0.00 -0.05 1.11 -1.81 -1.32 0.00 0.00 176.35 174.28 3h8b s ASP 84 N 0.93 4.65 0.69 3.68 1.01 -1.26 -1.15 116.67 125.22 3h8b s ASP 84 Ca -0.11 1.95 -0.11 0.00 0.71 0.00 0.00 52.55 54.99 3h8b s ASP 84 Cb -0.14 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3h8b s ASP 84 CO 0.00 -1.94 1.06 -0.94 0.21 0.00 0.00 175.17 173.56 3h8b s SER 85 N -2.94 5.54 0.21 0.27 1.04 -0.98 -1.64 113.70 115.19 3h8b s SER 85 Ca 0.65 1.47 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 3h8b s SER 85 Cb -0.19 -2.38 0.16 0.00 0.10 0.00 0.00 66.02 63.71 3h8b s SER 85 CO 0.49 -1.32 1.88 -0.08 0.98 0.00 0.00 173.24 175.20 3h8b h GLU 86 N -0.64 1.00 -0.60 4.02 4.57 -1.44 -2.08 114.58 119.41 3h8b h GLU 86 Ca -0.44 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 3h8b h GLU 86 Cb 1.22 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 3h8b h GLU 86 CO 0.59 0.66 0.31 1.49 -1.18 0.00 0.00 179.01 180.88 3h8b h GLU 87 N 1.03 0.86 0.00 1.92 4.81 -1.93 -2.85 114.58 118.42 3h8b h GLU 87 Ca 0.28 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3h8b h GLU 87 Cb -0.12 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 3h8b h GLU 87 CO -0.06 0.68 -0.53 0.66 -0.73 0.00 0.00 179.01 179.03 3h8b h SER 88 N 0.82 0.00 -2.50 1.04 4.64 -1.90 -3.38 113.55 112.28 3h8b h SER 88 Ca 0.21 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.93 3h8b h SER 88 Cb 0.09 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.77 3h8b h SER 88 CO -0.03 0.53 -0.77 0.00 -0.87 0.00 0.00 176.83 175.68 3h8b n TYR 89 N -3.33 1.64 -1.57 4.77 4.19 -0.79 -5.00 117.16 117.06 3h8b n TYR 89 Ca 0.01 -3.89 -0.40 0.00 3.31 0.00 0.00 57.90 56.93 3h8b n TYR 89 Cb 0.69 -0.33 0.02 0.00 0.49 0.00 0.00 39.34 40.21 3h8b n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3h8b n PRO 90 N 1.83 1.04 -2.80 2.98 -0.04 -1.09 -4.57 135.00 132.35 3h8b n PRO 90 Ca 0.25 0.38 -0.40 0.00 -0.04 0.00 0.00 63.50 63.70 3h8b n PRO 90 Cb 0.43 -1.96 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 3h8b n PRO 90 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h8b s TYR 91 N -1.41 3.95 0.00 0.54 5.04 -1.26 -4.71 117.35 119.50 3h8b s TYR 91 Ca 0.67 1.85 0.00 0.00 -2.44 0.00 0.00 57.07 57.15 3h8b s TYR 91 Cb -0.52 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 38.86 3h8b s TYR 91 CO 0.55 0.45 0.25 0.39 -1.34 0.00 0.00 175.55 175.85 3h8b n GLU 92 N 1.43 -0.44 -3.76 4.97 1.02 -1.26 -5.03 120.64 117.56 3h8b n GLU 92 Ca -0.02 -0.26 -0.27 0.00 -0.02 0.00 0.00 57.16 56.59 3h8b n GLU 92 Cb 0.48 -0.74 0.05 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.01 -1.32 -3.64 0.62 0.00 -1.26 -4.96 120.51 109.95 3h8b n ALA 93 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 3h8b n ALA 93 Cb 0.14 -4.89 -0.06 0.00 0.00 0.00 0.00 19.45 14.63 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 -3.32 0.00 0.25 0.00 -1.32 -1.26 -4.68 115.64 105.31 3h8b s THR 94 Ca 0.61 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.80 3h8b s THR 94 Cb -0.29 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.61 3h8b s THR 94 CO 0.78 0.00 1.13 -0.70 -2.21 0.00 0.00 174.62 173.63 3h8b s GLU 95 N -0.13 4.59 0.34 7.08 2.12 -1.26 -4.96 118.70 126.47 3h8b s GLU 95 Ca 0.05 1.83 0.03 0.00 0.36 0.00 0.00 54.97 57.24 3h8b s GLU 95 Cb -0.04 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 3h8b s GLU 95 CO -0.10 0.11 0.12 0.39 -0.54 0.00 0.00 175.26 175.24 3h8b n GLU 96 N 1.63 0.64 -2.46 4.30 -0.58 -1.26 -5.07 120.64 117.85 3h8b n GLU 96 Ca 0.01 -2.84 -0.39 0.00 -0.42 0.00 0.00 57.16 53.52 3h8b n GLU 96 Cb 0.45 1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 32.82 3h8b n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h8b s SER 97 N -3.06 7.00 0.13 1.62 1.04 -1.26 -4.59 113.70 114.58 3h8b s SER 97 Ca 0.17 2.23 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 3h8b s SER 97 Cb 0.01 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.40 3h8b s SER 97 CO 0.12 -0.33 1.81 0.00 0.98 0.00 0.00 173.24 175.82 3h8b n LYS 99 N 5.30 1.02 -1.63 0.00 5.02 -1.26 -5.04 118.16 121.57 3h8b n LYS 99 Ca 0.18 -2.65 -0.42 0.00 -2.02 0.00 0.00 58.31 53.41 3h8b n LYS 99 Cb 0.36 -1.13 0.01 0.00 -0.02 0.00 0.00 35.03 34.25 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 -0.72 1.45 -3.84 2.13 9.36 -1.26 -5.00 117.16 119.28 3h8b n TYR 100 Ca 0.14 0.56 -0.18 0.00 3.32 0.00 0.00 57.90 61.74 3h8b n TYR 100 Cb 0.78 -2.27 -0.17 0.00 -0.63 0.00 0.00 39.34 37.05 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 -0.66 0.59 0.00 2.98 3.84 -1.26 -5.02 114.94 115.41 3h8b s ASN 101 Ca 0.62 -0.00 0.17 0.00 0.21 0.00 0.00 52.86 53.86 3h8b s ASN 101 Cb -0.56 -0.20 1.02 0.00 -0.55 0.00 0.00 41.25 40.97 3h8b s ASN 101 CO 0.57 -0.14 1.43 -0.81 -2.79 0.00 0.00 177.10 175.36 3h8b n PRO 102 N 4.44 0.55 -0.03 0.43 -0.04 -1.26 -2.77 135.00 136.32 3h8b n PRO 102 Ca -0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.16 3h8b n PRO 102 Cb 0.50 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 3h8b n PRO 102 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3h8b n LYS 103 N -0.99 0.64 -0.35 0.54 4.81 -1.26 -4.10 118.16 117.46 3h8b n LYS 103 Ca 0.13 0.26 0.10 0.00 -0.87 0.00 0.00 58.31 57.92 3h8b n LYS 103 Cb 0.06 -1.76 0.28 0.00 0.02 0.00 0.00 35.03 33.63 3h8b n LYS 103 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3h8b n TYR 104 N -3.03 0.89 -2.24 5.64 4.01 -1.12 -4.97 117.16 116.34 3h8b n TYR 104 Ca -0.20 -0.52 -0.41 0.00 -0.16 0.00 0.00 57.90 56.61 3h8b n TYR 104 Cb 1.06 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 40.02 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 -1.01 6.93 0.00 7.72 0.15 -1.16 -2.33 113.70 124.00 3h8b s SER 105 Ca 0.42 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.46 3h8b s SER 105 Cb 0.23 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3h8b s SER 105 CO 0.27 -0.49 0.28 1.33 1.20 0.00 0.00 173.24 175.83 3h8b n VAL 106 N 2.41 0.00 -3.96 4.45 0.24 -0.30 -4.88 118.33 116.29 3h8b n VAL 106 Ca 0.05 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 3h8b n VAL 106 Cb 0.43 1.34 -0.04 0.00 -1.47 0.00 0.00 33.84 34.10 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 -0.06 -0.38 -0.02 2.33 0.00 -1.17 -5.02 121.76 117.45 3h8b s ALA 107 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 3h8b s ALA 107 Cb 0.00 1.00 0.11 0.00 0.00 0.00 0.00 23.12 24.23 3h8b s ALA 107 CO 0.00 -0.90 1.08 1.21 0.00 0.00 0.00 175.76 177.15 3h8b s ASN 108 N -3.02 -0.20 0.24 0.00 3.04 -1.26 -1.39 114.94 112.35 3h8b s ASN 108 Ca 0.20 -0.12 -0.03 0.00 0.04 0.00 0.00 52.86 52.95 3h8b s ASN 108 Cb -0.02 0.29 -0.03 0.00 -1.54 0.00 0.00 41.25 39.96 3h8b s ASN 108 CO 0.10 -0.51 0.27 1.51 -3.04 0.00 0.00 177.10 175.44 3h8b s ASP 109 N -2.61 0.36 -0.33 -4.21 1.47 -1.26 -4.86 116.67 105.23 3h8b s ASP 109 Ca 0.10 -1.33 0.10 0.00 1.18 0.00 0.00 52.55 52.60 3h8b s ASP 109 Cb 0.00 0.49 0.46 0.00 -0.34 0.00 0.00 42.92 43.52 3h8b s ASP 109 CO -0.04 -1.00 1.13 1.07 0.68 0.00 0.00 175.17 177.01 3h8b n THR 110 N -0.37 2.10 0.00 2.11 5.66 -0.82 -4.21 114.28 118.74 3h8b n THR 110 Ca 0.02 -4.09 0.00 0.00 -3.05 0.00 0.00 64.05 56.93 3h8b n THR 110 Cb 0.64 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 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 -0.55 0.23 3.70 1.09 0.00 -1.26 -4.88 105.19 103.53 3h8b n GLY 111 Ca 0.32 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 -0.25 -0.10 1.61 -0.71 -1.26 -2.62 117.98 114.65 3h8b s PHE 112 Ca 0.00 -0.07 0.03 0.00 -1.04 0.00 0.00 56.93 55.85 3h8b s PHE 112 Cb 0.00 0.64 0.01 0.00 -1.21 0.00 0.00 43.02 42.45 3h8b s PHE 112 CO 0.00 -0.93 -0.20 0.08 -1.34 0.00 0.00 175.22 172.83 3h8b s VAL 113 N -3.55 1.81 -0.19 -2.49 1.01 -0.22 -4.83 120.40 111.93 3h8b s VAL 113 Ca 0.09 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 3h8b s VAL 113 Cb -0.03 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3h8b s VAL 113 CO -0.00 0.50 0.33 -1.81 0.00 0.00 0.00 175.10 174.12 3h8b s ASP 114 N 0.61 6.39 0.25 3.32 1.01 -1.26 -2.18 116.67 124.81 3h8b s ASP 114 Ca -0.14 0.45 -0.17 0.00 0.71 0.00 0.00 52.55 53.40 3h8b s ASP 114 Cb -0.17 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.48 3h8b s ASP 114 CO 0.04 0.00 0.71 -0.63 0.21 0.00 0.00 175.17 175.50 3h8b s ILE 115 N 1.00 4.64 0.27 0.77 1.09 -0.29 -5.01 121.20 123.67 3h8b s ILE 115 Ca 0.16 1.11 -0.30 0.00 -1.10 0.00 0.00 60.65 60.52 3h8b s ILE 115 Cb -0.14 -3.76 -0.13 0.00 -1.06 0.00 0.00 42.46 37.37 3h8b s ILE 115 CO 0.06 0.08 1.37 -2.65 -0.10 0.00 0.00 174.94 173.70 3h8b n PRO 116 N 0.35 2.07 -0.60 2.79 -0.02 -1.26 -4.62 135.00 133.71 3h8b n PRO 116 Ca -0.01 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3h8b n PRO 116 Cb 0.52 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.58 1.57 -3.89 -0.52 5.02 -1.26 -4.55 118.16 116.11 3h8b n LYS 117 Ca 0.09 -1.08 -0.13 0.00 -2.02 0.00 0.00 58.31 55.18 3h8b n LYS 117 Cb 0.33 -2.20 -0.14 0.00 -0.02 0.00 0.00 35.03 33.00 3h8b n LYS 117 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3h8b s GLN 118 N 3.13 0.04 0.50 1.97 2.00 -1.25 -4.71 119.66 121.33 3h8b s GLN 118 Ca 0.34 0.00 0.17 0.00 -2.00 0.00 0.00 55.36 53.87 3h8b s GLN 118 Cb 0.11 -0.06 1.22 0.00 0.80 0.00 0.00 33.01 35.08 3h8b s GLN 118 CO -0.02 -0.01 2.09 0.93 -0.50 0.00 0.00 175.29 177.78 3h8b h GLU 119 N 6.25 0.11 -0.68 1.67 5.08 -1.88 -0.02 114.58 125.11 3h8b h GLU 119 Ca -0.27 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3h8b h GLU 119 Cb 1.20 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3h8b h GLU 119 CO 0.51 0.07 0.15 -0.22 -1.00 0.00 0.00 179.01 178.52 3h8b h LYS 120 N 0.11 1.09 -0.22 2.33 3.11 -1.96 -0.72 116.57 120.32 3h8b h LYS 120 Ca 0.10 -0.27 -0.17 0.00 -2.81 0.00 0.00 60.65 57.50 3h8b h LYS 120 Cb 0.28 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 3h8b h LYS 120 CO -0.01 0.98 -0.56 0.00 -2.81 0.00 0.00 179.45 177.05 3h8b h ALA 121 N 1.06 0.60 0.26 5.00 0.00 -1.46 -2.77 119.26 121.96 3h8b h ALA 121 Ca 0.21 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3h8b h ALA 121 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3h8b h ALA 121 CO 0.01 0.69 -0.17 1.25 0.00 0.00 0.00 179.25 181.03 3h8b h LEU 122 N 0.52 -0.42 -0.28 0.00 5.85 -0.69 -1.58 115.31 118.71 3h8b h LEU 122 Ca 0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3h8b h LEU 122 Cb 1.13 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 3h8b h LEU 122 CO 0.11 -0.27 -0.33 -0.03 -0.34 0.00 0.00 178.44 177.58 3h8b h MET 123 N -0.42 -0.31 -0.85 1.25 4.05 -1.14 -0.06 114.93 117.45 3h8b h MET 123 Ca -0.02 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 3h8b h MET 123 Cb 0.35 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.15 3h8b h MET 123 CO 0.02 -0.21 0.49 0.87 0.23 0.00 0.00 176.91 178.31 3h8b h LYS 124 N -0.32 0.77 -0.13 0.39 1.57 -1.34 0.69 116.57 118.20 3h8b h LYS 124 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3h8b h LYS 124 Cb 0.55 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3h8b h LYS 124 CO -0.46 0.51 0.03 0.00 -0.57 0.00 0.00 179.45 178.96 3h8b h ALA 125 N 1.47 0.17 -0.71 3.86 0.00 -0.34 -0.48 119.26 123.23 3h8b h ALA 125 Ca 0.42 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3h8b h ALA 125 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3h8b h ALA 125 CO -0.26 -0.19 0.23 0.28 0.00 0.00 0.00 179.25 179.31 3h8b h VAL 126 N 0.00 1.25 -0.16 0.00 2.07 -0.51 0.18 116.25 119.09 3h8b h VAL 126 Ca 0.04 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 3h8b h VAL 126 Cb 0.26 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3h8b h VAL 126 CO 0.00 0.34 -0.37 0.00 0.02 0.00 0.00 177.57 177.55 3h8b h ALA 127 N 1.21 1.07 0.00 1.67 0.00 -0.76 -3.20 119.26 119.24 3h8b h ALA 127 Ca 0.23 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3h8b h ALA 127 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h8b h ALA 127 CO -0.01 0.59 -1.85 0.25 0.00 0.00 0.00 179.25 178.22 3h8b n THR 128 N -4.05 0.30 -0.12 0.00 -2.24 -0.20 -4.79 114.28 103.18 3h8b n THR 128 Ca -0.01 -0.46 -0.26 0.00 -2.27 0.00 0.00 64.05 61.05 3h8b n THR 128 Cb 0.47 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.22 1.43 0.00 2.28 0.31 0.62 -5.07 118.33 115.68 3h8b n VAL 129 Ca -0.09 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3h8b n VAL 129 Cb 0.60 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 1.39 0.90 3.65 2.92 0.00 -1.21 -4.90 105.19 107.95 3h8b n GLY 130 Ca -0.47 -1.95 -0.47 0.00 0.00 0.00 0.00 46.02 43.12 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 1.90 -4.76 1.61 -0.02 -1.26 -4.38 135.00 128.09 3h8b n PRO 131 Ca 0.00 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 3h8b n PRO 131 Cb 0.00 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 30.93 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 0.72 3.19 0.08 4.25 -1.09 -0.37 -4.70 121.20 123.28 3h8b s ILE 132 Ca 0.79 -0.63 -0.30 0.00 -2.23 0.00 0.00 60.65 58.28 3h8b s ILE 132 Cb -0.74 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3h8b s ILE 132 CO 0.41 0.55 1.08 -0.44 -1.23 0.00 0.00 174.94 175.31 3h8b s SER 133 N -0.05 7.26 0.18 3.58 0.01 0.50 -1.06 113.70 124.12 3h8b s SER 133 Ca -0.02 1.91 -0.04 0.00 1.31 0.00 0.00 55.95 59.10 3h8b s SER 133 Cb -0.14 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 3h8b s SER 133 CO 0.04 -0.29 0.19 0.68 0.41 0.00 0.00 173.24 174.26 3h8b s VAL 134 N 0.57 0.04 -0.01 3.43 -7.23 -0.79 -0.53 120.40 115.88 3h8b s VAL 134 Ca 0.53 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.01 3h8b s VAL 134 Cb -0.26 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 3h8b s VAL 134 CO 0.30 -0.20 -0.22 0.00 -0.31 0.00 0.00 175.10 174.68 3h8b s ALA 135 N -4.07 1.80 0.13 1.32 0.00 -1.23 -1.03 121.76 118.69 3h8b s ALA 135 Ca 0.28 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3h8b s ALA 135 Cb 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3h8b s ALA 135 CO 0.06 0.44 -0.05 0.42 0.00 0.00 0.00 175.76 176.63 3h8b s ILE 136 N -0.53 0.76 -0.83 0.00 1.01 -0.43 -3.88 121.20 117.30 3h8b s ILE 136 Ca 0.08 -1.97 -0.25 0.00 0.00 0.00 0.00 60.65 58.51 3h8b s ILE 136 Cb -0.08 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.60 3h8b s ILE 136 CO -0.01 -0.74 1.31 -0.62 0.00 0.00 0.00 174.94 174.88 3h8b s ASP 137 N -3.10 6.28 -0.27 3.58 2.15 -0.45 -1.74 116.67 123.13 3h8b s ASP 137 Ca 0.16 -0.85 0.13 0.00 0.43 0.00 0.00 52.55 52.42 3h8b s ASP 137 Cb 0.05 -2.55 0.79 0.00 -0.30 0.00 0.00 42.92 40.91 3h8b s ASP 137 CO -0.02 -1.69 1.76 0.00 -0.17 0.00 0.00 175.17 175.05 3h8b n ALA 138 N 9.04 4.09 -0.47 3.66 0.00 -1.26 -4.76 120.51 130.81 3h8b n ALA 138 Ca 0.13 -2.10 -0.00 0.00 0.00 0.00 0.00 53.44 51.47 3h8b n ALA 138 Cb 0.49 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.29 2.51 3.03 0.00 0.00 -1.26 -4.82 105.19 104.94 3h8b n GLY 139 Ca 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.02 0.16 0.25 1.61 3.76 -1.26 -5.03 115.29 114.75 3h8b s HIS 140 Ca 0.00 -0.34 0.31 0.00 -0.15 0.00 0.00 55.06 54.89 3h8b s HIS 140 Cb 0.00 -0.12 1.42 0.00 1.11 0.00 0.00 32.58 34.99 3h8b s HIS 140 CO -0.00 -0.22 2.02 1.05 -0.85 0.00 0.00 174.74 176.74 3h8b h GLU 141 N 4.57 0.00 -0.04 1.40 4.11 -2.01 -1.82 114.58 120.78 3h8b h GLU 141 Ca -0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.07 3h8b h GLU 141 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3h8b h GLU 141 CO 0.41 0.08 -0.20 0.66 0.07 0.00 0.00 179.01 180.03 3h8b h SER 142 N 0.00 0.07 -0.03 3.06 4.64 -1.96 -2.25 113.55 117.08 3h8b h SER 142 Ca -0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 3h8b h SER 142 Cb 0.46 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3h8b h SER 142 CO 0.01 0.27 -0.84 0.15 -0.87 0.00 0.00 176.83 175.55 3h8b h PHE 143 N 0.07 0.97 -0.48 4.77 3.57 -1.66 -2.31 116.94 121.86 3h8b h PHE 143 Ca 0.01 -0.45 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 3h8b h PHE 143 Cb 0.39 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3h8b h PHE 143 CO 0.00 1.28 0.14 1.25 -2.23 0.00 0.00 178.31 178.75 3h8b h LEU 144 N 0.46 0.65 -2.23 0.59 5.85 -1.38 -2.90 115.31 116.35 3h8b h LEU 144 Ca -0.07 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3h8b h LEU 144 Cb 1.47 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3h8b h LEU 144 CO 0.17 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.38 3h8b n PHE 145 N -4.32 0.75 -1.75 1.25 3.72 -0.88 -4.94 117.46 111.29 3h8b n PHE 145 Ca 0.03 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 3h8b n PHE 145 Cb 0.19 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3h8b n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h8b n TYR 146 N 1.29 2.88 0.00 1.38 9.36 -0.87 -4.92 117.16 126.28 3h8b n TYR 146 Ca 0.20 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.74 3h8b n TYR 146 Cb 0.52 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 3h8b n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h8b n LYS 147 N 1.66 0.00 -3.78 2.98 5.02 -1.26 -1.76 118.16 121.02 3h8b n LYS 147 Ca 0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 3h8b n LYS 147 Cb 0.37 -0.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.94 3h8b n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h8b s GLU 148 N -2.00 1.68 0.13 1.97 4.04 -1.26 -2.88 118.70 120.37 3h8b s GLU 148 Ca 0.00 -0.88 0.00 0.00 0.04 0.00 0.00 54.97 54.13 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 -0.76 0.00 0.41 -1.84 0.00 0.00 175.26 173.07 3h8b n GLY 149 N -0.45 -3.00 3.65 -3.83 0.00 -1.26 -4.87 105.19 95.44 3h8b n GLY 149 Ca -0.06 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.65 4.85 -0.12 -0.61 1.01 -1.26 -4.02 121.20 120.40 3h8b s ILE 150 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 3h8b s ILE 150 Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 3h8b s ILE 150 CO 0.00 -0.05 1.01 -0.47 0.00 0.00 0.00 174.94 175.43 3h8b s TYR 151 N 2.67 3.49 -0.12 3.97 5.04 0.14 -4.85 117.35 127.69 3h8b s TYR 151 Ca 0.36 1.57 -0.04 0.00 -2.44 0.00 0.00 57.07 56.52 3h8b s TYR 151 Cb -0.16 -3.19 0.05 0.00 0.35 0.00 0.00 41.96 39.01 3h8b s TYR 151 CO 0.08 -0.25 0.10 0.12 -1.34 0.00 0.00 175.55 174.26 3h8b s PHE 152 N 2.15 0.06 -0.31 4.97 5.36 -1.26 -1.88 117.98 127.08 3h8b s PHE 152 Ca 0.48 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3h8b s PHE 152 Cb -0.18 -0.55 0.05 0.00 -0.34 0.00 0.00 43.02 42.00 3h8b s PHE 152 CO 0.16 -0.40 0.02 -2.00 -1.46 0.00 0.00 175.22 171.55 3h8b s GLU 153 N 2.18 2.48 0.62 10.12 2.56 -1.26 -4.99 118.70 130.41 3h8b s GLU 153 Ca 0.04 -1.24 0.31 0.00 0.00 0.00 0.00 54.97 54.07 3h8b s GLU 153 Cb -0.14 -3.24 1.70 0.00 2.00 0.00 0.00 34.13 34.45 3h8b s GLU 153 CO -0.07 -0.63 2.04 -1.35 -0.56 0.00 0.00 175.26 174.69 3h8b h PRO 154 N 8.05 0.00 -0.16 4.30 0.11 -2.05 -0.30 132.00 141.95 3h8b h PRO 154 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3h8b h PRO 154 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3h8b h PRO 154 CO 0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 3h8b n ASP 155 N -3.46 2.16 -4.74 -2.05 9.92 -1.26 -4.96 116.55 112.17 3h8b n ASP 155 Ca 0.01 -1.76 -0.32 0.00 -0.53 0.00 0.00 54.79 52.19 3h8b n ASP 155 Cb 0.38 -0.09 0.09 0.00 -0.64 0.00 0.00 41.12 40.86 3h8b n ASP 155 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h8b s SER 157 N -2.66 1.80 -0.10 0.00 0.15 -1.26 -4.79 113.70 106.84 3h8b s SER 157 Ca 0.67 -0.97 0.14 0.00 0.70 0.00 0.00 55.95 56.49 3h8b s SER 157 Cb -0.22 -0.02 0.35 0.00 -1.71 0.00 0.00 66.02 64.42 3h8b s SER 157 CO 0.49 -0.30 1.26 -1.54 1.20 0.00 0.00 173.24 174.36 3h8b n SER 158 N -0.04 3.05 0.00 5.45 3.41 -1.26 -3.20 113.62 121.03 3h8b n SER 158 Ca -0.11 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 3h8b n SER 158 Cb 0.60 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.49 2.94 -1.72 4.33 1.02 -1.26 -4.61 120.64 120.85 3h8b n GLU 159 Ca 0.15 -0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 3h8b n GLU 159 Cb 0.64 -0.56 0.08 0.00 -0.02 0.00 0.00 31.44 31.58 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 -0.46 2.73 -4.58 1.62 5.68 -1.26 -5.08 116.55 115.20 3h8b n ASP 160 Ca 0.00 -3.16 -0.49 0.00 -0.50 0.00 0.00 54.79 50.64 3h8b n ASP 160 Cb 0.02 -0.41 -0.04 0.00 -1.14 0.00 0.00 41.12 39.55 3h8b n ASP 160 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3h8b n MET 161 N -0.61 1.14 0.00 0.11 2.81 -1.26 -4.80 117.12 114.51 3h8b n MET 161 Ca 0.23 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 3h8b n MET 161 Cb 0.89 -1.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 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 2.06 0.86 -3.76 7.83 5.75 -0.71 -4.89 116.55 123.69 3h8b n ASP 162 Ca 0.15 -1.28 -0.22 0.00 -0.01 0.00 0.00 54.79 53.43 3h8b n ASP 162 Cb 0.24 0.00 -0.18 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.28 0.56 -0.00 2.11 5.04 -0.77 -4.92 115.29 117.03 3h8b s HIS 163 Ca 0.00 -0.09 -0.25 0.00 -1.54 0.00 0.00 55.06 53.18 3h8b s HIS 163 Cb 0.00 -0.74 -0.04 0.00 0.04 0.00 0.00 32.58 31.84 3h8b s HIS 163 CO 0.00 -0.30 0.78 0.20 -2.34 0.00 0.00 174.74 173.08 3h8b s GLY 164 N 1.97 2.75 0.11 1.59 0.00 -1.26 -1.31 107.32 111.17 3h8b s GLY 164 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.06 3h8b s GLY 164 CO -0.05 1.23 0.11 3.33 0.00 0.00 0.00 173.10 177.72 3h8b n VAL 165 N 3.33 0.00 -3.98 1.40 0.24 -0.20 -4.61 118.33 114.51 3h8b n VAL 165 Ca -0.01 -0.73 -0.26 0.00 -2.04 0.00 0.00 64.34 61.30 3h8b n VAL 165 Cb 0.51 0.38 -0.17 0.00 -1.47 0.00 0.00 33.84 33.09 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 1.20 -0.26 1.34 2.96 -0.74 -1.89 118.68 121.29 3h8b s LEU 166 Ca 0.12 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.49 3h8b s LEU 166 Cb 0.00 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.89 3h8b s LEU 166 CO 0.08 -0.11 0.87 -0.69 -1.32 0.00 0.00 176.35 175.19 3h8b s VAL 167 N 1.59 4.77 -1.78 1.68 1.01 -0.23 0.21 120.40 127.66 3h8b s VAL 167 Ca 0.02 1.56 0.14 0.00 0.00 0.00 0.00 61.98 63.70 3h8b s VAL 167 Cb -0.13 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.19 3h8b s VAL 167 CO -0.07 -0.17 0.96 1.33 0.00 0.00 0.00 175.10 177.16 3h8b n VAL 168 N 5.39 0.02 -3.57 2.92 0.24 0.59 -1.24 118.33 122.68 3h8b n VAL 168 Ca 0.07 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3h8b n VAL 168 Cb 0.47 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 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 0.81 -1.12 3.56 7.63 0.00 -1.15 -1.30 105.19 113.61 3h8b n GLY 169 Ca 0.08 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.38 0.00 1.61 -0.85 0.26 0.20 117.35 115.19 3h8b s TYR 170 Ca 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 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 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.60 3h8b n GLY 171 N -0.37 1.24 3.31 5.49 0.00 -0.70 -0.56 105.19 113.61 3h8b n GLY 171 Ca -0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.66 -0.19 -0.01 1.61 -0.71 -1.26 -1.27 117.98 114.49 3h8b s PHE 172 Ca 0.00 -0.09 -0.02 0.00 -1.04 0.00 0.00 56.93 55.78 3h8b s PHE 172 Cb 0.00 0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 3h8b s PHE 172 CO 0.00 -0.67 0.18 -1.21 -1.34 0.00 0.00 175.22 172.18 3h8b s GLU 173 N -3.59 3.41 -0.73 1.99 2.02 -1.26 -4.99 118.70 115.55 3h8b s GLU 173 Ca 0.02 -0.34 -0.06 0.00 0.02 0.00 0.00 54.97 54.61 3h8b s GLU 173 Cb 0.02 -3.08 -0.11 0.00 0.10 0.00 0.00 34.13 31.05 3h8b s GLU 173 CO -0.10 0.67 2.54 0.43 0.02 0.00 0.00 175.26 178.82 3h8b n SER 174 N 0.93 5.35 0.00 -0.19 7.64 -1.26 -4.91 113.62 121.18 3h8b n SER 174 Ca -0.11 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.44 3h8b n SER 174 Cb 0.53 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 3.47 0.00 -4.89 6.43 6.94 -1.26 -5.34 115.26 120.61 3h8b n ASN 180 Ca 0.47 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.68 3h8b n ASN 180 Cb 0.35 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.72 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 3.50 0.12 -3.83 1.02 -1.26 -4.25 119.74 115.03 3h8b s LYS 181 Ca 0.00 -0.19 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 3h8b s LYS 181 Cb 0.00 -3.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.18 3h8b s LYS 181 CO 0.00 0.69 0.13 1.52 -0.92 0.00 0.00 175.35 176.77 3h8b s TYR 182 N -1.26 0.54 -0.19 3.18 -0.85 -0.40 -0.61 117.35 117.78 3h8b s TYR 182 Ca 0.25 -0.96 -0.10 0.00 -0.52 0.00 0.00 57.07 55.74 3h8b s TYR 182 Cb -0.13 -0.27 -0.05 0.00 0.38 0.00 0.00 41.96 41.90 3h8b s TYR 182 CO 0.15 -0.56 0.14 -1.58 -1.52 0.00 0.00 175.55 172.18 3h8b s TRP 183 N -3.97 3.43 -0.45 -3.49 0.52 0.12 -1.72 118.94 113.38 3h8b s TRP 183 Ca 0.16 0.35 -0.23 0.00 0.02 0.00 0.00 56.10 56.40 3h8b s TRP 183 Cb 0.06 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3h8b s TRP 183 CO -0.03 0.32 0.81 -1.17 0.02 0.00 0.00 176.95 176.90 3h8b s LEU 184 N 0.27 4.21 -0.14 2.99 0.20 0.13 -1.20 118.68 125.13 3h8b s LEU 184 Ca 0.09 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.86 3h8b s LEU 184 Cb -0.11 -3.00 -0.00 0.00 -0.43 0.00 0.00 46.19 42.65 3h8b s LEU 184 CO -0.01 -0.93 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.26 3h8b s VAL 185 N 3.35 2.59 -0.24 1.68 1.01 -0.36 -0.30 120.40 128.13 3h8b s VAL 185 Ca 0.31 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 3h8b s VAL 185 Cb -0.12 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3h8b s VAL 185 CO 0.23 0.53 0.73 -0.75 0.00 0.00 0.00 175.10 175.84 3h8b s LYS 186 N 0.66 4.16 0.41 2.72 2.20 0.13 -0.78 119.74 129.24 3h8b s LYS 186 Ca -0.08 0.75 0.07 0.00 -0.36 0.00 0.00 55.97 56.35 3h8b s LYS 186 Cb -0.16 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.53 3h8b s LYS 186 CO 0.02 -0.45 0.57 1.21 -0.36 0.00 0.00 175.35 176.33 3h8b s ASN 187 N 1.39 5.70 -0.38 1.43 3.84 -0.50 -1.79 114.94 124.64 3h8b s ASN 187 Ca 0.31 -0.32 0.06 0.00 0.21 0.00 0.00 52.86 53.11 3h8b s ASN 187 Cb -0.15 -0.82 0.44 0.00 -0.55 0.00 0.00 41.25 40.16 3h8b s ASN 187 CO 0.08 -0.71 1.20 -1.54 -2.79 0.00 0.00 177.10 173.34 3h8b n SER 188 N -1.85 4.99 -0.86 -4.21 3.41 -1.26 -4.56 113.62 109.28 3h8b n SER 188 Ca 0.06 -3.74 0.04 0.00 -0.26 0.00 0.00 58.87 54.97 3h8b n SER 188 Cb 0.59 -0.43 0.22 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.62 0.81 0.00 7.33 8.01 -1.19 -0.23 117.44 131.56 3h8b n TRP 189 Ca 0.43 -1.21 0.00 0.00 -1.31 0.00 0.00 57.50 55.41 3h8b n TRP 189 Cb 0.82 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 29.76 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 -0.92 -1.51 0.29 6.99 0.00 -0.30 -4.44 105.19 105.29 3h8b n GLY 190 Ca 0.25 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.73 1.28 0.01 1.61 0.28 -1.26 -3.71 120.64 117.11 3h8b n GLU 191 Ca 0.00 -0.58 0.12 0.00 -0.16 0.00 0.00 57.16 56.54 3h8b n GLU 191 Cb 0.00 -1.49 0.26 0.00 1.43 0.00 0.00 31.44 31.64 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 -0.36 0.05 -3.46 3.44 -0.58 -1.26 -3.61 120.64 114.87 3h8b n GLU 192 Ca 0.19 0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.59 3h8b n GLU 192 Cb 0.28 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 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 -3.03 3.62 0.00 -0.32 -0.00 -1.24 -4.93 118.94 113.04 3h8b s TRP 193 Ca 0.10 0.96 0.00 0.00 -0.00 0.00 0.00 56.10 57.16 3h8b s TRP 193 Cb 0.17 -2.28 0.00 0.00 -0.00 0.00 0.00 33.47 31.35 3h8b s TRP 193 CO 0.69 0.50 0.00 0.41 -0.00 0.00 0.00 176.95 178.55 3h8b n GLY 194 N 1.03 1.76 3.40 5.86 0.00 -0.72 -0.34 105.19 116.17 3h8b n GLY 194 Ca -0.08 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 3.68 -1.58 1.61 -1.94 0.08 -4.36 119.30 116.80 3h8b s MET 195 Ca 0.00 -2.18 -0.00 0.00 -1.71 0.00 0.00 55.69 51.80 3h8b s MET 195 Cb 0.00 -4.72 0.00 0.00 2.01 0.00 0.00 34.83 32.12 3h8b s MET 195 CO 0.00 -1.56 0.01 0.41 -0.01 0.00 0.00 175.02 173.87 3h8b n GLY 196 N 4.64 -0.50 0.70 -0.03 0.00 -1.25 -1.53 105.19 107.22 3h8b n GLY 196 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.96 0.63 3.67 -0.02 0.00 0.54 -4.59 105.19 104.46 3h8b n GLY 197 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.45 2.86 0.01 1.61 1.51 -0.58 -1.41 117.35 118.90 3h8b s TYR 198 Ca 0.00 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 55.97 3h8b s TYR 198 Cb 0.00 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 3h8b s TYR 198 CO 0.00 0.51 -0.11 0.54 -1.11 0.00 0.00 175.55 175.38 3h8b s VAL 199 N -1.69 0.89 -0.43 0.71 0.11 0.04 -0.74 120.40 119.28 3h8b s VAL 199 Ca 0.27 -0.66 -0.15 0.00 -2.93 0.00 0.00 61.98 58.51 3h8b s VAL 199 Cb -0.09 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3h8b s VAL 199 CO 0.19 0.12 0.34 -0.54 -3.33 0.00 0.00 175.10 171.88 3h8b s LYS 200 N -0.61 2.98 -0.07 1.54 1.02 -1.26 -1.22 119.74 122.12 3h8b s LYS 200 Ca 0.02 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 54.90 3h8b s LYS 200 Cb -0.06 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 3h8b s LYS 200 CO 0.00 -0.85 0.00 -1.64 -0.92 0.00 0.00 175.35 171.95 3h8b s MET 201 N 1.71 2.95 -0.36 1.68 -1.94 -0.35 0.27 119.30 123.27 3h8b s MET 201 Ca 0.05 -0.44 -0.43 0.00 -1.71 0.00 0.00 55.69 53.16 3h8b s MET 201 Cb -0.21 -2.77 -0.19 0.00 2.01 0.00 0.00 34.83 33.67 3h8b s MET 201 CO 0.09 0.69 1.40 0.00 -0.01 0.00 0.00 175.02 177.19 3h8b n ALA 202 N 2.01 -1.86 -2.57 3.03 0.00 -0.79 0.14 120.51 120.47 3h8b n ALA 202 Ca -0.18 0.50 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 3h8b n ALA 202 Cb 0.53 -1.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 2.13 2.29 -1.40 0.00 2.20 0.23 -4.59 119.74 120.59 3h8b s LYS 203 Ca 0.97 -0.91 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 3h8b s LYS 203 Cb -1.37 -2.37 0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3h8b s LYS 203 CO 0.72 0.55 0.98 -0.25 -0.36 0.00 0.00 175.35 176.98 3h8b n ASP 204 N 1.10 -4.10 -2.59 1.43 8.00 -1.26 -4.57 116.55 114.56 3h8b n ASP 204 Ca -0.14 -0.71 -0.22 0.00 0.71 0.00 0.00 54.79 54.42 3h8b n ASP 204 Cb 0.52 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 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 -4.62 2.80 -3.28 -1.24 5.12 -1.26 -4.91 116.66 109.26 3h8b n ARG 205 Ca -0.08 -4.21 -0.16 0.00 -1.93 0.00 0.00 57.85 51.47 3h8b n ARG 205 Cb 0.58 -2.00 0.07 0.00 -1.16 0.00 0.00 32.46 29.96 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 -0.34 -5.98 -3.70 5.56 1.74 -1.26 -3.23 116.66 109.46 3h8b n ARG 206 Ca 0.31 0.70 -0.22 0.00 -0.77 0.00 0.00 57.85 57.88 3h8b n ARG 206 Cb 0.67 -5.33 0.04 0.00 -1.02 0.00 0.00 32.46 26.82 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 -2.60 -1.53 -4.60 0.55 5.15 -1.26 -4.83 115.26 106.14 3h8b n ASN 207 Ca -0.15 -0.80 -0.54 0.00 -0.60 0.00 0.00 54.58 52.50 3h8b n ASN 207 Cb 0.61 -4.13 -0.06 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.30 1.53 -1.51 1.20 -0.00 -1.20 -0.15 115.22 110.78 3h8b n HIS 208 Ca -0.27 0.66 -0.18 0.00 -0.00 0.00 0.00 57.72 57.93 3h8b n HIS 208 Cb 0.67 -2.33 -0.08 0.00 -0.00 0.00 0.00 29.99 28.25 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 -0.23 1.41 0.36 0.00 0.00 0.78 -1.34 105.19 106.18 3h8b n GLY 210 Ca -0.18 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 0.08 -0.01 -0.61 2.04 -1.64 -0.29 117.51 117.08 3h8b h ILE 211 Ca -0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3h8b h ILE 211 Cb 1.02 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3h8b h ILE 211 CO 0.46 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 178.27 3h8b n ALA 212 N -1.94 3.17 0.22 1.87 0.00 -1.26 -4.51 120.51 118.06 3h8b n ALA 212 Ca 0.03 -0.52 0.10 0.00 0.00 0.00 0.00 53.44 53.05 3h8b n ALA 212 Cb 0.67 -0.54 0.47 0.00 0.00 0.00 0.00 19.45 20.05 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 1.60 0.00 -1.99 0.00 0.02 -1.32 -3.34 113.55 108.51 3h8b h SER 213 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3h8b h SER 213 Cb 0.51 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.65 3h8b h SER 213 CO 0.00 0.23 -1.17 0.00 -1.14 0.00 0.00 176.83 174.75 3h8b n ALA 214 N -2.24 2.21 -2.78 3.77 0.00 -1.26 -4.81 120.51 115.41 3h8b n ALA 214 Ca -0.00 -3.47 -0.37 0.00 0.00 0.00 0.00 53.44 49.59 3h8b n ALA 214 Cb 0.42 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.51 3.81 0.19 0.00 0.00 -1.26 -3.50 121.76 118.49 3h8b s ALA 215 Ca 0.40 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.58 3h8b s ALA 215 Cb 0.35 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 21.42 3h8b s ALA 215 CO -0.08 0.52 0.83 -1.54 0.00 0.00 0.00 175.76 175.49 3h8b s SER 216 N -0.83 -0.26 0.04 0.00 1.04 0.31 -1.14 113.70 112.86 3h8b s SER 216 Ca 0.16 -0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.00 3h8b s SER 216 Cb -0.13 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.61 3h8b s SER 216 CO 0.05 -1.07 0.37 -0.72 0.98 0.00 0.00 173.24 172.85 3h8b s TYR 217 N -3.57 -0.21 0.22 5.02 1.13 -0.92 -0.37 117.35 118.65 3h8b s TYR 217 Ca 0.10 0.15 -0.25 0.00 -1.41 0.00 0.00 57.07 55.66 3h8b s TYR 217 Cb -0.03 0.17 -0.09 0.00 -1.10 0.00 0.00 41.96 40.91 3h8b s TYR 217 CO 0.02 -0.53 0.84 -1.25 -2.51 0.00 0.00 175.55 172.12 3h8b s PRO 218 N -2.36 4.58 0.03 -3.49 0.04 -1.26 -1.05 135.00 131.48 3h8b s PRO 218 Ca -0.06 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.95 3h8b s PRO 218 Cb -0.01 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 3h8b s PRO 218 CO -0.02 0.47 0.73 0.95 0.04 0.00 0.00 177.00 179.18 3h8b s THR 219 N -1.32 4.79 0.00 1.26 -4.23 -1.08 -4.89 115.64 110.18 3h8b s THR 219 Ca 0.41 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.47 3h8b s THR 219 Cb -0.22 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.55 3h8b s THR 219 CO 0.26 0.36 0.30 1.33 -0.54 0.00 0.00 174.62 176.33