#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 2.25 0.35 0.00 0.02 -1.26 -4.94 135.00 131.42 3h8b s PRO 2 Ca 0.00 1.82 0.05 0.00 0.02 0.00 0.00 61.00 62.89 3h8b s PRO 2 Cb 0.00 -1.84 0.65 0.00 0.02 0.00 0.00 34.50 33.33 3h8b s PRO 2 CO 0.00 -1.77 1.91 0.00 -0.33 0.00 0.00 177.00 176.82 3h8b h ARG 3 N -0.08 0.55 -4.37 5.54 2.47 -2.02 -3.44 114.38 113.02 3h8b h ARG 3 Ca -0.48 -0.09 -0.29 0.00 -1.26 0.00 0.00 59.98 57.85 3h8b h ARG 3 Cb 1.30 -0.09 -0.25 0.00 -1.65 0.00 0.00 29.97 29.28 3h8b h ARG 3 CO 0.51 0.52 -0.74 -1.12 0.56 0.00 0.00 179.97 179.69 3h8b s SER 4 N -6.71 0.67 -0.10 7.04 0.01 -1.26 -4.40 113.70 108.94 3h8b s SER 4 Ca -0.08 -0.29 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 3h8b s SER 4 Cb 0.16 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.41 3h8b s SER 4 CO 0.76 -0.06 0.26 -0.69 0.41 0.00 0.00 173.24 173.91 3h8b s VAL 5 N -0.69 -0.02 -0.26 3.43 1.01 0.69 -4.97 120.40 119.60 3h8b s VAL 5 Ca -0.04 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 3h8b s VAL 5 Cb -0.06 -0.39 0.14 0.00 0.00 0.00 0.00 36.38 36.08 3h8b s VAL 5 CO 0.00 0.04 0.36 -0.62 0.00 0.00 0.00 175.10 174.88 3h8b s ASP 6 N 0.82 0.57 0.14 3.32 -1.08 -1.26 0.83 116.67 120.01 3h8b s ASP 6 Ca -0.06 -0.10 0.21 0.00 -0.52 0.00 0.00 52.55 52.08 3h8b s ASP 6 Cb -0.07 0.97 0.85 0.00 -1.46 0.00 0.00 42.92 43.21 3h8b s ASP 6 CO -0.05 -0.33 1.64 0.79 0.52 0.00 0.00 175.17 177.74 3h8b n TRP 7 N 5.35 0.46 0.21 -5.34 7.02 0.15 -2.47 117.44 122.82 3h8b n TRP 7 Ca -0.02 0.17 0.05 0.00 -1.02 0.00 0.00 57.50 56.68 3h8b n TRP 7 Cb 0.49 -0.77 0.47 0.00 -2.42 0.00 0.00 31.31 29.08 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 -0.25 -0.99 3.08 -1.97 -2.44 114.38 111.82 3h8b h ARG 8 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 3h8b h ARG 8 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3h8b h ARG 8 CO 0.00 0.26 0.27 0.93 -1.07 0.00 0.00 179.97 180.36 3h8b h GLU 9 N 0.00 0.00 -0.27 0.04 5.08 -1.88 -2.04 114.58 115.51 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 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h8b h GLU 9 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 3h8b n LYS 10 N -3.81 2.31 -1.72 2.33 4.76 -0.93 -5.01 118.16 116.09 3h8b n LYS 10 Ca 0.03 -1.85 -0.02 0.00 -2.87 0.00 0.00 58.31 53.60 3h8b n LYS 10 Cb 0.41 -1.26 -0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.56 0.37 0.02 0.72 0.00 -0.77 -4.96 105.19 101.14 3h8b n GLY 11 Ca 0.11 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.65 0.17 -4.76 1.61 4.02 -1.16 -4.82 117.16 108.58 3h8b n TYR 12 Ca -0.03 0.05 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 3h8b n TYR 12 Cb 0.37 -0.43 -0.15 0.00 -0.02 0.00 0.00 39.34 39.11 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 -3.04 2.90 0.87 -0.72 1.01 -1.26 -3.82 120.40 116.33 3h8b s VAL 13 Ca 0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3h8b s VAL 13 Cb 0.17 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.45 3h8b s VAL 13 CO 0.66 0.52 1.16 0.42 0.00 0.00 0.00 175.10 177.86 3h8b s THR 14 N 0.45 2.00 0.94 3.92 -4.23 -1.26 -5.03 115.64 112.44 3h8b s THR 14 Ca -0.10 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.30 3h8b s THR 14 Cb -0.16 -2.87 0.16 0.00 1.34 0.00 0.00 72.50 70.97 3h8b s THR 14 CO 0.05 0.00 1.10 -2.84 -0.54 0.00 0.00 174.62 172.39 3h8b s PRO 15 N -5.43 0.83 0.26 3.99 0.02 -1.26 -4.93 135.00 128.48 3h8b s PRO 15 Ca 0.63 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 3h8b s PRO 15 Cb -0.13 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.56 3h8b s PRO 15 CO 0.51 -2.65 1.51 0.08 -0.33 0.00 0.00 177.00 176.12 3h8b s VAL 16 N -2.70 2.43 0.50 3.83 1.01 -1.26 -5.02 120.40 119.19 3h8b s VAL 16 Ca 0.66 0.36 0.07 0.00 0.00 0.00 0.00 61.98 63.06 3h8b s VAL 16 Cb -0.21 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.96 3h8b s VAL 16 CO 0.59 0.05 0.45 -0.54 0.00 0.00 0.00 175.10 175.65 3h8b s LYS 17 N -0.28 2.35 -0.15 2.72 1.02 -1.26 -4.80 119.74 119.34 3h8b s LYS 17 Ca 0.62 -1.81 -0.03 0.00 0.02 0.00 0.00 55.97 54.77 3h8b s LYS 17 Cb -0.44 -2.26 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3h8b s LYS 17 CO 0.44 -0.51 0.05 1.21 -0.92 0.00 0.00 175.35 175.62 3h8b s ASN 18 N -4.28 2.26 0.29 2.83 3.84 -1.26 -0.96 114.94 117.66 3h8b s ASN 18 Ca 0.43 -0.51 0.26 0.00 0.21 0.00 0.00 52.86 53.24 3h8b s ASN 18 Cb -0.03 -0.38 0.95 0.00 -0.55 0.00 0.00 41.25 41.24 3h8b s ASN 18 CO 0.26 -0.30 1.76 0.06 -2.79 0.00 0.00 177.10 176.09 3h8b h GLN 19 N 8.35 0.00 0.00 0.43 3.07 -1.24 -3.47 115.11 122.24 3h8b h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3h8b h GLN 19 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 3h8b h GLN 19 CO 0.28 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.61 3h8b n GLY 20 N 0.44 0.51 2.45 0.06 0.00 -1.26 -3.72 105.19 103.67 3h8b n GLY 20 Ca 0.03 -0.91 -0.40 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 3.65 -3.72 1.61 6.02 -1.26 -4.79 117.38 118.89 3h8b n GLN 21 Ca 0.00 -2.53 -0.12 0.00 -0.01 0.00 0.00 57.00 54.34 3h8b n GLN 21 Cb 0.00 -2.88 -0.12 0.00 1.02 0.00 0.00 30.24 28.26 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 3.93 3.58 1.33 0.00 0.00 0.14 -4.48 105.19 109.69 3h8b n GLY 23 Ca -0.22 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.64 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 3.39 4.61 -0.19 1.61 3.41 -1.26 -2.88 113.62 122.30 3h8b n SER 24 Ca 0.60 -2.84 0.13 0.00 -0.26 0.00 0.00 58.87 56.50 3h8b n SER 24 Cb 0.39 -0.58 0.45 0.00 -0.26 0.00 0.00 64.21 64.21 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 0.54 0.68 -0.28 0.00 5.08 -1.83 -0.07 115.95 120.07 3h8b h TRP 26 Ca 0.38 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 60.19 3h8b h TRP 26 Cb 0.71 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.64 3h8b h TRP 26 CO -0.00 0.42 -0.51 0.00 -1.28 0.00 0.00 178.44 177.07 3h8b h ALA 27 N 1.66 0.57 -0.17 0.11 0.00 -1.27 -2.20 119.26 117.96 3h8b h ALA 27 Ca 0.21 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 3h8b h ALA 27 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h8b h ALA 27 CO -0.05 0.68 -0.52 0.74 0.00 0.00 0.00 179.25 180.11 3h8b h PHE 28 N 0.62 0.59 -0.47 0.00 -1.00 -1.16 -0.75 116.94 114.77 3h8b h PHE 28 Ca 0.02 -0.20 -0.08 0.00 2.81 0.00 0.00 57.97 60.52 3h8b h PHE 28 Cb 1.09 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 3h8b h PHE 28 CO 0.06 0.89 -0.02 1.03 -1.61 0.00 0.00 178.31 178.67 3h8b h SER 29 N 0.37 0.83 0.04 2.17 0.87 -1.04 -1.42 113.55 115.38 3h8b h SER 29 Ca 0.01 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3h8b h SER 29 Cb 1.03 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3h8b h SER 29 CO 0.09 0.95 -0.02 0.00 -0.53 0.00 0.00 176.83 177.32 3h8b h ALA 30 N 0.91 -0.06 -0.85 6.23 0.00 -1.27 -1.20 119.26 123.03 3h8b h ALA 30 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h8b h ALA 30 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3h8b h ALA 30 CO 0.03 -0.42 0.55 1.79 0.00 0.00 0.00 179.25 181.20 3h8b h THR 31 N -0.29 1.22 -0.31 0.00 1.35 -1.14 -0.75 112.91 113.00 3h8b h THR 31 Ca -0.01 -0.43 0.03 0.00 -0.55 0.00 0.00 66.41 65.46 3h8b h THR 31 Cb 0.26 -0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 66.63 3h8b h THR 31 CO 0.01 0.22 0.12 1.23 -0.25 0.00 0.00 175.52 176.85 3h8b h GLY 32 N 1.17 0.39 1.31 5.82 0.00 -1.03 0.53 103.07 111.26 3h8b h GLY 32 Ca 0.31 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.44 3h8b h GLY 32 CO -0.07 0.05 -0.25 0.00 0.00 0.00 0.00 176.54 176.28 3h8b h ALA 33 N 1.18 0.84 -0.30 3.60 0.00 -0.80 -2.59 119.26 121.19 3h8b h ALA 33 Ca 0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3h8b h ALA 33 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3h8b h ALA 33 CO -0.13 0.64 -0.36 1.25 0.00 0.00 0.00 179.25 180.65 3h8b h LEU 34 N 0.68 0.72 -0.53 0.00 6.46 -0.80 -1.54 115.31 120.30 3h8b h LEU 34 Ca 0.09 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3h8b h LEU 34 Cb 0.77 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 3h8b h LEU 34 CO 0.06 1.01 0.30 -0.33 -0.62 0.00 0.00 178.44 178.86 3h8b h GLU 35 N 0.57 0.56 -0.42 1.25 5.08 0.15 0.05 114.58 121.82 3h8b h GLU 35 Ca 0.06 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3h8b h GLU 35 Cb 0.88 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3h8b h GLU 35 CO 0.08 0.37 0.03 0.78 -1.00 0.00 0.00 179.01 179.27 3h8b h GLY 36 N 0.58 0.78 1.62 -3.84 0.00 -1.15 -1.44 103.07 99.61 3h8b h GLY 36 Ca 0.23 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 3h8b h GLY 36 CO -0.13 0.50 -0.65 1.46 0.00 0.00 0.00 176.54 177.73 3h8b h GLN 37 N 0.56 0.39 -0.59 4.80 1.08 -1.08 -1.36 115.11 118.91 3h8b h GLN 37 Ca 0.12 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 3h8b h GLN 37 Cb 0.43 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3h8b h GLN 37 CO 0.01 0.90 0.16 0.52 -0.95 0.00 0.00 178.83 179.48 3h8b h MET 38 N 0.28 0.93 -0.44 1.46 2.86 -0.96 -2.12 114.93 116.95 3h8b h MET 38 Ca -0.01 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3h8b h MET 38 Cb 1.19 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3h8b h MET 38 CO 0.11 0.85 0.20 0.35 1.06 0.00 0.00 176.91 179.48 3h8b h PHE 39 N 0.85 0.63 -0.78 -0.22 3.57 -1.05 0.11 116.94 120.05 3h8b h PHE 39 Ca 0.19 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.74 3h8b h PHE 39 Cb 0.32 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3h8b h PHE 39 CO 0.02 0.52 0.51 -0.09 -2.23 0.00 0.00 178.31 177.04 3h8b h ARG 40 N 0.56 0.73 0.10 1.11 2.43 -1.05 0.43 114.38 118.68 3h8b h ARG 40 Ca 0.15 -0.04 -0.30 0.00 -0.81 0.00 0.00 59.98 58.97 3h8b h ARG 40 Cb 0.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3h8b h ARG 40 CO -0.02 0.48 -1.54 -0.22 -1.51 0.00 0.00 179.97 177.16 3h8b h LYS 41 N 0.75 0.20 0.00 0.20 3.64 -0.87 -3.40 116.57 117.09 3h8b h LYS 41 Ca 0.35 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h8b h LYS 41 Cb 0.38 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h8b h LYS 41 CO -0.13 1.04 -0.32 0.25 -2.27 0.00 0.00 179.45 178.02 3h8b n THR 42 N -3.40 0.00 -0.94 1.00 -2.24 0.32 -4.99 114.28 104.03 3h8b n THR 42 Ca -0.16 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3h8b n THR 42 Cb 1.04 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 70.22 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 1.21 0.73 3.35 3.38 0.00 0.15 -5.00 105.19 109.00 3h8b n GLY 43 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.20 3.37 -0.38 1.61 0.52 -1.26 -5.02 118.95 117.59 3h8b s ARG 44 Ca 0.00 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.38 3h8b s ARG 44 Cb 0.00 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3h8b s ARG 44 CO 0.00 0.09 0.40 -1.17 0.02 0.00 0.00 175.30 174.64 3h8b s LEU 45 N 0.67 4.65 -0.11 2.53 2.96 -1.26 -3.91 118.68 124.20 3h8b s LEU 45 Ca -0.06 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3h8b s LEU 45 Cb -0.15 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.19 3h8b s LEU 45 CO 0.02 -0.45 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.83 3h8b s ILE 46 N 2.07 1.38 0.12 6.68 1.01 -1.26 -5.10 121.20 126.10 3h8b s ILE 46 Ca 0.12 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 3h8b s ILE 46 Cb -0.17 -1.28 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 3h8b s ILE 46 CO 0.12 0.42 1.57 -0.55 0.00 0.00 0.00 174.94 176.50 3h8b s SER 47 N 1.10 6.63 0.23 3.58 0.15 -1.26 -4.82 113.70 119.31 3h8b s SER 47 Ca -0.05 2.52 0.01 0.00 0.70 0.00 0.00 55.95 59.13 3h8b s SER 47 Cb -0.14 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 3h8b s SER 47 CO -0.03 -0.82 0.40 -0.76 1.20 0.00 0.00 173.24 173.23 3h8b s LEU 48 N 1.70 4.22 -0.50 3.45 1.43 -1.26 0.37 118.68 128.09 3h8b s LEU 48 Ca 0.70 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.84 3h8b s LEU 48 Cb -0.41 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.75 3h8b s LEU 48 CO 0.31 -0.08 1.04 -0.55 0.23 0.00 0.00 176.35 177.30 3h8b s SER 49 N -3.51 6.50 0.24 2.29 0.15 -0.57 -4.08 113.70 114.73 3h8b s SER 49 Ca 0.37 0.14 0.04 0.00 0.70 0.00 0.00 55.95 57.20 3h8b s SER 49 Cb -0.10 -2.50 0.28 0.00 -1.71 0.00 0.00 66.02 61.99 3h8b s SER 49 CO 0.30 -1.22 1.58 -0.33 1.20 0.00 0.00 173.24 174.78 3h8b h GLU 50 N 9.25 0.26 -1.00 5.44 3.07 -1.88 -3.11 114.58 126.61 3h8b h GLU 50 Ca -0.24 -0.16 0.04 0.00 -0.50 0.00 0.00 59.36 58.49 3h8b h GLU 50 Cb 1.07 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.94 3h8b h GLU 50 CO 1.10 0.75 0.65 0.37 -1.40 0.00 0.00 179.01 180.48 3h8b h GLN 51 N 0.20 1.22 -0.78 2.33 5.75 -1.84 -0.31 115.11 121.68 3h8b h GLN 51 Ca -0.00 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3h8b h GLN 51 Cb 1.05 -0.28 -0.07 0.00 1.07 0.00 0.00 27.48 29.26 3h8b h GLN 51 CO 0.09 0.81 0.44 -0.97 -2.65 0.00 0.00 178.83 176.55 3h8b h ASN 52 N 1.26 0.64 -0.18 -0.69 -0.00 -1.78 0.58 115.58 115.42 3h8b h ASN 52 Ca 0.40 0.04 -0.08 0.00 -0.00 0.00 0.00 56.30 56.66 3h8b h ASN 52 Cb 0.01 -0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 38.24 3h8b h ASN 52 CO -0.13 0.39 -0.18 -0.07 -0.00 0.00 0.00 177.43 177.43 3h8b h LEU 53 N 0.77 0.48 -0.48 0.34 3.38 -1.37 -1.59 115.31 116.84 3h8b h LEU 53 Ca 0.36 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3h8b h LEU 53 Cb 0.29 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3h8b h LEU 53 CO -0.22 0.86 0.25 0.58 0.09 0.00 0.00 178.44 180.00 3h8b h VAL 54 N 0.11 0.98 0.00 1.22 2.07 -0.54 -2.03 116.25 118.05 3h8b h VAL 54 Ca 0.03 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 3h8b h VAL 54 Cb 0.73 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3h8b h VAL 54 CO 0.05 0.09 -0.63 0.44 0.02 0.00 0.00 177.57 177.54 3h8b h ASP 55 N 0.50 0.00 0.00 0.57 3.32 -0.91 -3.38 116.42 116.52 3h8b h ASP 55 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3h8b h ASP 55 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3h8b h ASP 55 CO -0.13 0.63 -0.28 0.00 -1.72 0.00 0.00 179.24 177.73 3h8b n SER 57 N -1.15 3.96 -0.27 0.00 3.41 -0.78 -4.38 113.62 114.42 3h8b n SER 57 Ca 0.01 -2.69 -0.05 0.00 -0.26 0.00 0.00 58.87 55.88 3h8b n SER 57 Cb 0.07 -0.64 0.10 0.00 -0.26 0.00 0.00 64.21 63.49 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 3.91 1.22 1.57 5.00 0.00 -1.83 -2.52 103.07 110.41 3h8b h GLY 58 Ca 0.08 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 46.82 3h8b h GLY 58 CO 0.40 0.60 0.18 -2.55 0.00 0.00 0.00 176.54 175.18 3h8b h PRO 59 N 1.11 0.15 0.00 4.80 0.11 -1.87 -0.32 132.00 135.98 3h8b h PRO 59 Ca 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3h8b h PRO 59 Cb 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3h8b h PRO 59 CO -0.03 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 178.90 3h8b n GLN 60 N -4.49 0.15 0.00 1.05 3.00 -0.98 -4.89 117.38 111.22 3h8b n GLN 60 Ca 0.03 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3h8b n GLN 60 Cb 0.23 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.77 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 0.94 1.19 3.81 1.08 0.00 -0.13 -4.88 105.19 107.20 3h8b n GLY 61 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.02 5.10 -0.24 1.61 0.01 -1.05 -4.92 114.94 114.43 3h8b s ASN 62 Ca 0.00 1.59 0.13 0.00 -0.71 0.00 0.00 52.86 53.87 3h8b s ASN 62 Cb 0.00 -2.42 0.46 0.00 0.41 0.00 0.00 41.25 39.70 3h8b s ASN 62 CO 0.00 -1.62 1.18 -0.62 -1.51 0.00 0.00 177.10 174.53 3h8b n GLU 63 N -3.24 2.43 0.00 -0.60 -0.58 0.54 -4.25 120.64 114.94 3h8b n GLU 63 Ca 0.08 -3.63 0.00 0.00 -0.42 0.00 0.00 57.16 53.18 3h8b n GLU 63 Cb 0.54 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 -0.68 3.53 0.00 0.62 0.00 -1.24 -0.63 105.19 106.80 3h8b n GLY 64 Ca 0.28 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.13 2.98 0.00 0.00 3.02 0.20 -0.68 115.26 119.65 3h8b n ASN 66 Ca 0.17 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 3h8b n ASN 66 Cb 0.14 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.41 2.67 0.00 7.41 0.00 -1.12 -4.88 105.19 110.67 3h8b n GLY 67 Ca 0.19 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.03 -1.25 3.03 -0.02 0.00 -1.26 -0.34 105.19 104.32 3h8b n GLY 68 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 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 2.04 0.28 0.99 1.43 -1.26 -4.78 118.68 117.38 3h8b s LEU 69 Ca 0.00 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3h8b s LEU 69 Cb 0.00 -0.45 0.43 0.00 0.03 0.00 0.00 46.19 46.20 3h8b s LEU 69 CO 0.00 0.09 1.91 0.24 0.23 0.00 0.00 176.35 178.82 3h8b h MET 70 N 5.81 1.12 -0.44 1.70 2.86 -1.97 -2.06 114.93 121.96 3h8b h MET 70 Ca -0.31 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 3h8b h MET 70 Cb 1.18 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3h8b h MET 70 CO 0.49 0.74 0.12 -0.44 1.06 0.00 0.00 176.91 178.88 3h8b h ASP 71 N 1.15 0.59 -0.32 1.22 3.32 -1.96 -0.36 116.42 120.07 3h8b h ASP 71 Ca 0.39 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 3h8b h ASP 71 Cb 0.08 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3h8b h ASP 71 CO -0.13 0.59 -0.04 1.88 -1.72 0.00 0.00 179.24 179.81 3h8b h TYR 72 N 0.63 0.74 -0.56 4.55 0.05 -1.74 -0.77 116.97 119.89 3h8b h TYR 72 Ca 0.15 -0.11 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 3h8b h TYR 72 Cb 0.22 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3h8b h TYR 72 CO 0.01 0.72 -0.07 0.00 -1.05 0.00 0.00 178.16 177.78 3h8b h ALA 73 N 1.31 0.76 -0.54 3.88 0.00 -0.54 -0.70 119.26 123.42 3h8b h ALA 73 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3h8b h ALA 73 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3h8b h ALA 73 CO 0.02 0.64 0.03 0.74 0.00 0.00 0.00 179.25 180.69 3h8b h PHE 74 N 0.91 0.96 -0.64 0.00 0.04 -0.79 -2.04 116.94 115.39 3h8b h PHE 74 Ca 0.15 -0.14 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3h8b h PHE 74 Cb 0.63 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 3h8b h PHE 74 CO 0.04 0.85 0.15 0.37 -0.60 0.00 0.00 178.31 179.13 3h8b h GLN 75 N 0.84 1.00 -0.19 1.51 5.75 -0.95 -2.44 115.11 120.63 3h8b h GLN 75 Ca 0.16 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3h8b h GLN 75 Cb 0.46 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3h8b h GLN 75 CO 0.02 0.89 0.10 -0.92 -2.65 0.00 0.00 178.83 176.27 3h8b h TYR 76 N 0.95 0.26 -0.93 3.99 3.20 -0.48 0.15 116.97 124.11 3h8b h TYR 76 Ca 0.20 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.16 3h8b h TYR 76 Cb 0.34 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 3h8b h TYR 76 CO 0.02 0.25 0.58 0.28 -1.64 0.00 0.00 178.16 177.65 3h8b h VAL 77 N 0.20 0.96 -0.08 1.81 2.07 -1.22 0.32 116.25 120.31 3h8b h VAL 77 Ca 0.07 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3h8b h VAL 77 Cb 0.08 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3h8b h VAL 77 CO -0.01 0.18 -0.04 -0.61 0.02 0.00 0.00 177.57 177.11 3h8b h GLN 78 N 0.97 0.17 -0.08 1.57 4.15 -1.15 -1.26 115.11 119.48 3h8b h GLN 78 Ca 0.44 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.71 3h8b h GLN 78 Cb 0.35 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3h8b h GLN 78 CO -0.23 0.53 -0.30 -0.44 -1.93 0.00 0.00 178.83 176.47 3h8b h ASP 79 N -0.21 0.14 1.26 -0.69 3.32 -0.21 -3.09 116.42 116.95 3h8b h ASP 79 Ca 0.02 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 3h8b h ASP 79 Cb 0.48 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3h8b h ASP 79 CO 0.01 0.44 -0.77 -1.13 -1.72 0.00 0.00 179.24 176.07 3h8b h ASN 80 N 0.13 0.00 0.00 6.45 -1.24 -0.35 -3.48 115.58 117.09 3h8b h ASN 80 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 3h8b h ASN 80 Cb 0.60 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.65 3h8b h ASN 80 CO 0.04 0.36 0.00 0.61 -1.29 0.00 0.00 177.43 177.15 3h8b n GLY 81 N 1.25 0.49 0.00 1.57 0.00 -0.52 -4.97 105.19 103.01 3h8b n GLY 81 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.91 1.35 3.18 -0.02 0.00 -0.95 -4.93 105.19 100.91 3h8b n GLY 82 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 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 0.15 0.67 0.99 2.96 -0.99 -4.66 118.68 117.81 3h8b s LEU 83 Ca 0.00 0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 54.52 3h8b s LEU 83 Cb 0.00 1.09 0.00 0.00 0.50 0.00 0.00 46.19 47.78 3h8b s LEU 83 CO 0.00 -0.18 1.07 -1.81 -1.32 0.00 0.00 176.35 174.11 3h8b s ASP 84 N 1.28 5.36 0.71 3.68 1.01 -1.26 -1.23 116.67 126.22 3h8b s ASP 84 Ca -0.09 1.72 -0.11 0.00 0.71 0.00 0.00 52.55 54.79 3h8b s ASP 84 Cb -0.09 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.34 3h8b s ASP 84 CO -0.10 -1.46 1.06 -0.94 0.21 0.00 0.00 175.17 173.94 3h8b s SER 85 N -3.38 5.26 0.22 0.27 1.04 -1.12 -1.51 113.70 114.47 3h8b s SER 85 Ca 0.60 1.63 -0.08 0.00 0.48 0.00 0.00 55.95 58.58 3h8b s SER 85 Cb -0.15 -2.48 0.18 0.00 0.10 0.00 0.00 66.02 63.66 3h8b s SER 85 CO 0.49 -1.52 1.82 -0.08 0.98 0.00 0.00 173.24 174.93 3h8b h GLU 86 N -0.77 1.18 -0.47 4.02 4.57 -0.23 -2.15 114.58 120.72 3h8b h GLU 86 Ca -0.44 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 57.63 3h8b h GLU 86 Cb 1.21 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.54 3h8b h GLU 86 CO 0.56 0.89 0.21 1.49 -1.18 0.00 0.00 179.01 180.98 3h8b h GLU 87 N 1.17 0.41 0.00 1.92 4.81 -1.92 -2.58 114.58 118.38 3h8b h GLU 87 Ca 0.29 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3h8b h GLU 87 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3h8b h GLU 87 CO -0.04 0.27 -0.26 0.66 -0.73 0.00 0.00 179.01 178.91 3h8b h SER 88 N 0.42 0.00 -2.08 1.04 4.64 -1.88 -3.38 113.55 112.31 3h8b h SER 88 Ca 0.21 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.96 3h8b h SER 88 Cb 0.15 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.85 3h8b h SER 88 CO -0.17 0.26 -1.02 0.00 -0.87 0.00 0.00 176.83 175.03 3h8b n TYR 89 N -3.18 0.20 -1.46 4.77 4.19 -0.83 -4.99 117.16 115.86 3h8b n TYR 89 Ca 0.03 -3.63 -0.38 0.00 3.31 0.00 0.00 57.90 57.23 3h8b n TYR 89 Cb 0.62 -0.33 0.04 0.00 0.49 0.00 0.00 39.34 40.16 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 1.47 0.50 -2.70 2.98 -0.02 -1.00 -4.44 135.00 131.80 3h8b n PRO 90 Ca 0.23 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 3h8b n PRO 90 Cb 0.51 -1.70 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.73 3.61 -0.30 6.00 5.04 -1.26 -4.70 117.35 124.01 3h8b s TYR 91 Ca 0.68 1.66 0.03 0.00 -2.44 0.00 0.00 57.07 57.00 3h8b s TYR 91 Cb -0.44 -3.15 0.01 0.00 0.35 0.00 0.00 41.96 38.73 3h8b s TYR 91 CO 0.55 -0.10 0.48 0.39 -1.34 0.00 0.00 175.55 175.53 3h8b n GLU 92 N 4.20 0.95 -3.50 4.97 1.02 -1.26 -5.03 120.64 121.99 3h8b n GLU 92 Ca 0.07 -0.52 -0.26 0.00 -0.02 0.00 0.00 57.16 56.44 3h8b n GLU 92 Cb 0.50 -0.95 0.01 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.12 -1.11 -3.51 0.62 0.00 -1.26 -4.95 120.51 110.18 3h8b n ALA 93 Ca 0.01 0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.41 3h8b n ALA 93 Cb 0.06 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.10 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 -3.07 0.00 0.08 0.00 -1.32 -1.26 -4.64 115.64 105.43 3h8b s THR 94 Ca 0.47 -0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.69 3h8b s THR 94 Cb -0.24 -0.99 -0.06 0.00 -1.51 0.00 0.00 72.50 69.70 3h8b s THR 94 CO 0.58 -0.01 0.76 -0.70 -2.21 0.00 0.00 174.62 173.05 3h8b s GLU 95 N -1.16 4.51 0.40 7.08 2.12 -1.26 -4.94 118.70 125.44 3h8b s GLU 95 Ca -0.11 1.08 0.05 0.00 0.36 0.00 0.00 54.97 56.36 3h8b s GLU 95 Cb -0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 3h8b s GLU 95 CO 0.10 0.37 0.19 -1.21 -0.54 0.00 0.00 175.26 174.16 3h8b s GLU 96 N -0.36 1.92 0.61 4.30 0.41 -1.26 -5.08 118.70 119.24 3h8b s GLU 96 Ca 0.38 -2.17 -0.17 0.00 -0.41 0.00 0.00 54.97 52.60 3h8b s GLU 96 Cb -0.21 -0.28 -0.02 0.00 -1.78 0.00 0.00 34.13 31.84 3h8b s GLU 96 CO 0.24 -0.58 1.13 -1.54 -0.49 0.00 0.00 175.26 174.03 3h8b s SER 97 N -3.55 5.29 0.17 -0.19 1.04 -1.26 -4.60 113.70 110.59 3h8b s SER 97 Ca 0.28 2.13 -0.31 0.00 0.48 0.00 0.00 55.95 58.52 3h8b s SER 97 Cb 0.02 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 3h8b s SER 97 CO 0.19 -1.51 1.54 0.00 0.98 0.00 0.00 173.24 174.44 3h8b n LYS 99 N 3.80 1.03 -1.68 0.00 5.02 -1.26 -5.07 118.16 120.00 3h8b n LYS 99 Ca 0.13 -2.58 -0.44 0.00 -2.02 0.00 0.00 58.31 53.40 3h8b n LYS 99 Cb 0.39 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.81 2.22 -3.85 2.13 9.36 -1.26 -4.98 117.16 119.97 3h8b n TYR 100 Ca 0.14 0.43 -0.29 0.00 3.32 0.00 0.00 57.90 61.50 3h8b n TYR 100 Cb 0.75 -2.46 -0.16 0.00 -0.63 0.00 0.00 39.34 36.84 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 0.23 3.20 0.59 2.98 3.84 -1.26 -5.02 114.94 119.50 3h8b s ASN 101 Ca 0.66 -0.89 0.29 0.00 0.21 0.00 0.00 52.86 53.12 3h8b s ASN 101 Cb -0.63 -0.88 1.56 0.00 -0.55 0.00 0.00 41.25 40.75 3h8b s ASN 101 CO 0.51 -0.25 1.99 1.55 -2.79 0.00 0.00 177.10 178.11 3h8b h PRO 102 N 8.11 0.00 -0.32 0.43 0.13 -1.99 -1.51 132.00 136.85 3h8b h PRO 102 Ca -0.19 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3h8b h PRO 102 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3h8b h PRO 102 CO 0.38 0.00 0.23 -0.22 -0.23 0.00 0.00 178.00 178.15 3h8b h LYS 103 N 0.00 0.13 -0.51 0.86 3.64 -2.02 -2.44 116.57 116.23 3h8b h LYS 103 Ca 0.15 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3h8b h LYS 103 Cb 0.86 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3h8b h LYS 103 CO -0.00 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 3h8b n TYR 104 N -4.47 1.17 -2.25 1.91 4.01 -0.57 -4.99 117.16 111.98 3h8b n TYR 104 Ca 0.04 -0.64 -0.41 0.00 -0.16 0.00 0.00 57.90 56.73 3h8b n TYR 104 Cb 0.30 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.13 6.93 0.00 7.72 0.15 -0.92 -2.80 113.70 123.65 3h8b s SER 105 Ca 0.44 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.43 3h8b s SER 105 Cb 0.29 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 3h8b s SER 105 CO 0.20 -0.51 0.70 1.33 1.20 0.00 0.00 173.24 176.15 3h8b n VAL 106 N 2.82 0.48 -3.76 4.45 0.24 -0.37 -4.93 118.33 117.26 3h8b n VAL 106 Ca 0.07 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 3h8b n VAL 106 Cb 0.43 0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.48 -0.52 0.19 2.33 0.00 -1.20 -5.02 121.76 117.05 3h8b s ALA 107 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 3h8b s ALA 107 Cb 0.00 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.75 3h8b s ALA 107 CO 0.00 -0.58 0.56 1.21 0.00 0.00 0.00 175.76 176.95 3h8b s ASN 108 N -2.84 -0.36 0.13 0.00 3.04 -1.26 -2.35 114.94 111.30 3h8b s ASN 108 Ca 0.05 -0.32 -0.13 0.00 0.04 0.00 0.00 52.86 52.50 3h8b s ASN 108 Cb 0.03 0.59 0.02 0.00 -1.54 0.00 0.00 41.25 40.35 3h8b s ASN 108 CO -0.11 -1.04 0.33 1.51 -3.04 0.00 0.00 177.10 174.75 3h8b s ASP 109 N -2.83 -0.08 -0.39 -4.21 1.47 -1.26 -4.77 116.67 104.60 3h8b s ASP 109 Ca 0.06 -0.53 0.06 0.00 1.18 0.00 0.00 52.55 53.32 3h8b s ASP 109 Cb -0.01 0.43 0.44 0.00 -0.34 0.00 0.00 42.92 43.44 3h8b s ASP 109 CO -0.06 -0.84 1.22 1.07 0.68 0.00 0.00 175.17 177.24 3h8b n THR 110 N -0.18 2.55 0.00 2.11 5.66 0.77 -4.02 114.28 121.17 3h8b n THR 110 Ca -0.14 -4.46 0.00 0.00 -3.05 0.00 0.00 64.05 56.40 3h8b n THR 110 Cb 0.63 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 -0.62 -0.65 3.54 1.09 0.00 -1.26 -4.80 105.19 102.48 3h8b n GLY 111 Ca 0.43 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 0.37 -0.12 1.61 -0.71 -1.26 -0.81 117.98 117.06 3h8b s PHE 112 Ca 0.00 -0.73 0.02 0.00 -1.04 0.00 0.00 56.93 55.18 3h8b s PHE 112 Cb 0.00 0.14 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 3h8b s PHE 112 CO 0.00 -0.94 -0.17 0.08 -1.34 0.00 0.00 175.22 172.85 3h8b s VAL 113 N -4.01 1.62 -0.27 -2.49 1.01 0.48 -4.84 120.40 111.90 3h8b s VAL 113 Ca 0.22 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3h8b s VAL 113 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3h8b s VAL 113 CO 0.07 0.47 0.40 -1.81 0.00 0.00 0.00 175.10 174.23 3h8b s ASP 114 N 0.96 6.28 0.37 3.32 1.01 -1.26 -2.10 116.67 125.24 3h8b s ASP 114 Ca -0.06 0.29 -0.26 0.00 0.71 0.00 0.00 52.55 53.23 3h8b s ASP 114 Cb -0.15 -2.22 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 3h8b s ASP 114 CO -0.02 -0.21 1.09 -0.63 0.21 0.00 0.00 175.17 175.60 3h8b s ILE 115 N 2.11 3.54 0.63 0.77 1.01 -0.27 -5.00 121.20 123.99 3h8b s ILE 115 Ca 0.16 1.29 -0.18 0.00 0.00 0.00 0.00 60.65 61.92 3h8b s ILE 115 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3h8b s ILE 115 CO 0.10 0.12 1.15 -2.65 0.00 0.00 0.00 174.94 173.66 3h8b n PRO 116 N 0.28 1.03 -1.35 2.79 -0.02 -1.26 -4.64 135.00 131.83 3h8b n PRO 116 Ca 0.03 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 3h8b n PRO 116 Cb 0.48 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.50 3.18 -3.82 -0.52 5.02 -1.26 -4.57 118.16 114.68 3h8b n LYS 117 Ca 0.15 -2.20 -0.12 0.00 -2.02 0.00 0.00 58.31 54.11 3h8b n LYS 117 Cb 0.48 -2.90 -0.12 0.00 -0.02 0.00 0.00 35.03 32.47 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 2.74 0.20 0.53 1.97 1.11 -1.26 -4.81 119.66 120.13 3h8b s GLN 118 Ca 0.60 0.18 0.19 0.00 0.01 0.00 0.00 55.36 56.33 3h8b s GLN 118 Cb 0.16 0.09 1.32 0.00 -1.01 0.00 0.00 33.01 33.57 3h8b s GLN 118 CO -0.06 -0.03 2.12 0.93 0.01 0.00 0.00 175.29 178.26 3h8b h GLU 119 N 5.82 0.00 -0.43 2.91 5.08 -1.89 -1.60 114.58 124.46 3h8b h GLU 119 Ca -0.25 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3h8b h GLU 119 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3h8b h GLU 119 CO 0.41 0.00 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.14 3h8b h LYS 120 N 0.00 0.80 -0.57 2.33 3.11 -1.96 0.20 116.57 120.49 3h8b h LYS 120 Ca 0.06 -0.29 -0.11 0.00 -2.81 0.00 0.00 60.65 57.51 3h8b h LYS 120 Cb 0.25 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 3h8b h LYS 120 CO -0.00 0.90 -0.07 0.00 -2.81 0.00 0.00 179.45 177.48 3h8b h ALA 121 N 0.88 0.79 -0.73 5.00 0.00 -1.64 -1.05 119.26 122.50 3h8b h ALA 121 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3h8b h ALA 121 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3h8b h ALA 121 CO 0.03 0.67 0.30 1.25 0.00 0.00 0.00 179.25 181.51 3h8b h LEU 122 N 0.95 1.00 -0.44 0.00 5.85 -1.09 0.15 115.31 121.73 3h8b h LEU 122 Ca 0.15 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3h8b h LEU 122 Cb 0.63 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3h8b h LEU 122 CO 0.04 0.90 0.25 -0.03 -0.34 0.00 0.00 178.44 179.26 3h8b h MET 123 N 1.04 0.60 -0.47 1.25 4.05 -0.25 0.18 114.93 121.35 3h8b h MET 123 Ca 0.24 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3h8b h MET 123 Cb 0.20 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3h8b h MET 123 CO -0.02 0.47 0.23 0.87 0.23 0.00 0.00 176.91 178.69 3h8b h LYS 124 N 0.57 0.67 -0.07 0.39 1.57 -0.89 -0.19 116.57 118.62 3h8b h LYS 124 Ca 0.15 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3h8b h LYS 124 Cb 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3h8b h LYS 124 CO -0.03 0.56 0.02 0.00 -0.57 0.00 0.00 179.45 179.43 3h8b h ALA 125 N 1.07 0.07 -0.92 3.86 0.00 -0.61 -0.09 119.26 122.64 3h8b h ALA 125 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h8b h ALA 125 Cb 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3h8b h ALA 125 CO -0.02 -0.45 0.60 0.28 0.00 0.00 0.00 179.25 179.66 3h8b h VAL 126 N 0.05 1.17 -0.30 0.00 2.07 -0.41 0.23 116.25 119.06 3h8b h VAL 126 Ca 0.03 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.01 3h8b h VAL 126 Cb 0.02 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 3h8b h VAL 126 CO -0.03 0.21 -0.37 0.00 0.02 0.00 0.00 177.57 177.40 3h8b h ALA 127 N 1.46 0.77 0.00 1.67 0.00 -0.41 -3.30 119.26 119.45 3h8b h ALA 127 Ca 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h8b h ALA 127 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h8b h ALA 127 CO -0.10 0.65 -1.57 0.25 0.00 0.00 0.00 179.25 178.48 3h8b n THR 128 N -4.05 0.00 -0.12 0.00 -2.24 -0.10 -4.77 114.28 103.00 3h8b n THR 128 Ca -0.02 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.19 3h8b n THR 128 Cb 0.51 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.94 1.26 0.00 2.28 0.31 0.79 -5.08 118.33 115.95 3h8b n VAL 129 Ca -0.02 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3h8b n VAL 129 Cb 0.41 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.56 0.96 3.78 2.92 0.00 -1.24 -4.92 105.19 108.24 3h8b n GLY 130 Ca -0.45 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 3h8b n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h8b s PRO 131 N -1.91 4.11 -0.07 1.61 0.02 -1.26 -4.48 135.00 133.02 3h8b s PRO 131 Ca 0.00 2.58 0.04 0.00 0.02 0.00 0.00 61.00 63.64 3h8b s PRO 131 Cb 0.00 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 3h8b s PRO 131 CO 0.00 -0.55 -0.19 0.42 -0.33 0.00 0.00 177.00 176.35 3h8b s ILE 132 N -1.01 2.57 0.23 2.83 -1.09 -0.37 -4.74 121.20 119.62 3h8b s ILE 132 Ca 0.54 -0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 57.78 3h8b s ILE 132 Cb -0.47 -1.99 -0.09 0.00 -1.58 0.00 0.00 42.46 38.34 3h8b s ILE 132 CO 0.62 0.57 1.03 -0.44 -1.23 0.00 0.00 174.94 175.49 3h8b s SER 133 N -0.25 7.43 0.14 3.58 0.01 -0.23 -0.92 113.70 123.45 3h8b s SER 133 Ca 0.00 2.07 -0.06 0.00 1.31 0.00 0.00 55.95 59.27 3h8b s SER 133 Cb -0.13 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3h8b s SER 133 CO 0.03 -0.04 0.19 0.68 0.41 0.00 0.00 173.24 174.51 3h8b s VAL 134 N -0.86 0.09 -0.03 3.43 -7.23 -0.82 -1.03 120.40 113.94 3h8b s VAL 134 Ca 0.44 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.14 3h8b s VAL 134 Cb -0.28 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 3h8b s VAL 134 CO 0.35 -0.42 -0.21 0.00 -0.31 0.00 0.00 175.10 174.51 3h8b s ALA 135 N -3.97 1.78 0.22 1.32 0.00 -1.24 -0.48 121.76 119.38 3h8b s ALA 135 Ca 0.17 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.32 3h8b s ALA 135 Cb 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3h8b s ALA 135 CO -0.01 0.39 -0.10 0.42 0.00 0.00 0.00 175.76 176.45 3h8b s ILE 136 N -0.28 1.53 -0.70 0.00 1.09 0.10 -4.02 121.20 118.92 3h8b s ILE 136 Ca 0.02 -2.14 -0.25 0.00 -1.10 0.00 0.00 60.65 57.18 3h8b s ILE 136 Cb -0.10 -2.15 0.05 0.00 -1.06 0.00 0.00 42.46 39.20 3h8b s ILE 136 CO 0.01 -0.51 1.13 -0.62 -0.10 0.00 0.00 174.94 174.84 3h8b s ASP 137 N -3.32 6.17 -0.25 3.58 2.15 -0.40 -1.23 116.67 123.37 3h8b s ASP 137 Ca 0.24 -0.74 0.13 0.00 0.43 0.00 0.00 52.55 52.61 3h8b s ASP 137 Cb 0.02 -2.49 0.68 0.00 -0.30 0.00 0.00 42.92 40.83 3h8b s ASP 137 CO 0.07 -1.64 1.64 0.00 -0.17 0.00 0.00 175.17 175.08 3h8b n ALA 138 N 8.53 3.83 0.82 3.66 0.00 -1.26 -4.76 120.51 131.33 3h8b n ALA 138 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.17 3h8b n ALA 138 Cb 0.47 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.12 1.48 3.14 0.00 0.00 -1.26 -4.78 105.19 103.64 3h8b n GLY 139 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.27 1.10 0.53 1.61 3.76 -1.26 -5.02 115.29 115.74 3h8b s HIS 140 Ca 0.00 -0.42 0.24 0.00 -0.15 0.00 0.00 55.06 54.73 3h8b s HIS 140 Cb 0.00 -0.64 1.52 0.00 1.11 0.00 0.00 32.58 34.57 3h8b s HIS 140 CO 0.00 0.03 2.17 1.05 -0.85 0.00 0.00 174.74 177.13 3h8b h GLU 141 N 4.57 0.00 0.00 1.40 4.11 -2.00 -0.26 114.58 122.39 3h8b h GLU 141 Ca -0.39 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 3h8b h GLU 141 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3h8b h GLU 141 CO 0.42 0.05 -0.05 0.66 0.07 0.00 0.00 179.01 180.15 3h8b h SER 142 N 0.00 0.00 0.39 3.06 4.64 -1.96 -1.12 113.55 118.56 3h8b h SER 142 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3h8b h SER 142 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3h8b h SER 142 CO 0.01 0.05 -1.05 0.15 -0.87 0.00 0.00 176.83 175.12 3h8b h PHE 143 N 0.00 0.62 -0.66 4.77 3.57 -1.36 -2.64 116.94 121.24 3h8b h PHE 143 Ca -0.00 -0.37 -0.06 0.00 3.53 0.00 0.00 57.97 61.07 3h8b h PHE 143 Cb 0.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3h8b h PHE 143 CO 0.00 1.22 0.18 1.25 -2.23 0.00 0.00 178.31 178.73 3h8b h LEU 144 N 0.20 0.97 -1.30 0.59 5.85 -1.17 -2.92 115.31 117.53 3h8b h LEU 144 Ca -0.10 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3h8b h LEU 144 Cb 1.71 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3h8b h LEU 144 CO 0.18 0.92 0.00 0.49 -0.34 0.00 0.00 178.44 179.69 3h8b n PHE 145 N -4.25 0.17 -1.63 1.25 3.72 -0.52 -4.89 117.46 111.30 3h8b n PHE 145 Ca 0.05 -0.08 -0.47 0.00 -0.05 0.00 0.00 57.45 56.90 3h8b n PHE 145 Cb 0.24 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.53 1.81 0.01 1.38 9.36 -1.00 -4.91 117.16 124.34 3h8b n TYR 146 Ca 0.17 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.92 3h8b n TYR 146 Cb 0.40 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 2.05 0.00 -3.69 2.98 5.02 -1.26 -1.86 118.16 121.40 3h8b n LYS 147 Ca 0.14 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 3h8b n LYS 147 Cb 0.28 -0.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 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 1.29 0.17 1.97 4.04 -1.26 -2.65 118.70 120.25 3h8b s GLU 148 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.36 3h8b s GLU 148 Cb 0.00 0.48 0.00 0.00 0.02 0.00 0.00 34.13 34.63 3h8b s GLU 148 CO 0.00 -0.58 0.00 0.41 -1.84 0.00 0.00 175.26 173.25 3h8b n GLY 149 N -0.41 -2.40 3.60 -3.83 0.00 -1.26 -4.87 105.19 96.02 3h8b n GLY 149 Ca -0.08 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.29 4.85 -0.07 -0.61 1.09 -1.26 -4.03 121.20 120.87 3h8b s ILE 150 Ca 0.00 0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 60.20 3h8b s ILE 150 Cb 0.00 -4.09 -0.03 0.00 -1.06 0.00 0.00 42.46 37.28 3h8b s ILE 150 CO 0.00 -0.24 1.25 -0.47 -0.10 0.00 0.00 174.94 175.37 3h8b s TYR 151 N 2.82 3.05 -0.14 3.97 5.04 0.17 -4.86 117.35 127.39 3h8b s TYR 151 Ca 0.29 1.10 -0.04 0.00 -2.44 0.00 0.00 57.07 55.98 3h8b s TYR 151 Cb -0.14 -3.48 0.06 0.00 0.35 0.00 0.00 41.96 38.75 3h8b s TYR 151 CO 0.13 -1.59 0.16 0.12 -1.34 0.00 0.00 175.55 173.03 3h8b s PHE 152 N 2.57 -0.12 -0.36 4.97 5.36 -1.26 -1.84 117.98 127.30 3h8b s PHE 152 Ca 0.57 0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 56.76 3h8b s PHE 152 Cb -0.25 -0.39 0.06 0.00 -0.34 0.00 0.00 43.02 42.10 3h8b s PHE 152 CO 0.21 -0.42 0.14 -2.00 -1.46 0.00 0.00 175.22 171.69 3h8b s GLU 153 N 2.26 2.47 0.55 10.12 2.56 -1.26 -4.97 118.70 130.45 3h8b s GLU 153 Ca 0.04 -1.37 0.28 0.00 0.00 0.00 0.00 54.97 53.92 3h8b s GLU 153 Cb -0.14 -3.50 1.46 0.00 2.00 0.00 0.00 34.13 33.95 3h8b s GLU 153 CO -0.08 -0.79 1.96 -1.35 -0.56 0.00 0.00 175.26 174.44 3h8b h PRO 154 N 8.19 0.00 -0.01 4.30 0.11 -2.05 0.79 132.00 143.33 3h8b h PRO 154 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 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 0.64 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.96 3h8b n ASP 155 N -4.12 0.92 -4.76 -2.05 2.03 -1.26 -4.93 116.55 102.38 3h8b n ASP 155 Ca 0.10 -1.31 -0.37 0.00 0.52 0.00 0.00 54.79 53.73 3h8b n ASP 155 Cb 0.66 -0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.40 4.08 0.00 0.00 0.15 -1.26 -4.72 113.70 110.55 3h8b s SER 157 Ca 0.71 -0.60 0.17 0.00 0.70 0.00 0.00 55.95 56.93 3h8b s SER 157 Cb -0.31 -0.63 0.35 0.00 -1.71 0.00 0.00 66.02 63.71 3h8b s SER 157 CO 0.36 0.13 1.26 -1.54 1.20 0.00 0.00 173.24 174.65 3h8b n SER 158 N 0.27 3.06 0.00 5.45 3.41 -1.26 -3.08 113.62 121.47 3h8b n SER 158 Ca -0.12 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3h8b n SER 158 Cb 0.55 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.02 6.66 -1.47 4.33 1.02 -1.26 -4.50 120.64 126.44 3h8b n GLU 159 Ca 0.15 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 3h8b n GLU 159 Cb 0.49 -0.51 0.09 0.00 -0.02 0.00 0.00 31.44 31.48 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 -0.96 3.75 -4.61 1.62 5.68 -1.26 -5.06 116.55 115.71 3h8b n ASP 160 Ca 0.00 -3.81 -0.50 0.00 -0.50 0.00 0.00 54.79 49.98 3h8b n ASP 160 Cb 0.00 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.50 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 -0.87 1.39 0.00 0.11 2.81 -1.26 -4.73 117.12 114.56 3h8b n MET 161 Ca 0.35 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.74 3h8b n MET 161 Cb 0.87 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 2.57 1.00 -3.67 7.83 5.75 -0.37 -4.88 116.55 124.78 3h8b n ASP 162 Ca 0.17 -1.43 -0.17 0.00 -0.01 0.00 0.00 54.79 53.35 3h8b n ASP 162 Cb 0.23 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.43 -0.15 0.06 2.11 5.04 -0.69 -4.90 115.29 116.32 3h8b s HIS 163 Ca 0.00 0.57 -0.27 0.00 -1.54 0.00 0.00 55.06 53.82 3h8b s HIS 163 Cb 0.00 -0.27 -0.05 0.00 0.04 0.00 0.00 32.58 32.29 3h8b s HIS 163 CO 0.00 -0.26 0.85 0.20 -2.34 0.00 0.00 174.74 173.19 3h8b s GLY 164 N 2.22 2.87 0.00 1.59 0.00 -1.26 -0.72 107.32 112.01 3h8b s GLY 164 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3h8b s GLY 164 CO -0.05 1.28 0.00 3.33 0.00 0.00 0.00 173.10 177.65 3h8b n VAL 165 N 2.94 0.00 -3.92 1.40 0.24 0.37 -4.66 118.33 114.70 3h8b n VAL 165 Ca -0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 3h8b n VAL 165 Cb 0.50 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.70 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 1.02 -0.30 1.34 2.96 -0.89 -1.95 118.68 120.85 3h8b s LEU 166 Ca 0.00 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.46 3h8b s LEU 166 Cb 0.00 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 46.03 3h8b s LEU 166 CO 0.00 -0.13 0.81 -0.69 -1.32 0.00 0.00 176.35 175.02 3h8b s VAL 167 N 1.66 4.78 -1.89 1.68 1.01 -0.10 -0.28 120.40 127.27 3h8b s VAL 167 Ca 0.02 1.26 0.19 0.00 0.00 0.00 0.00 61.98 63.45 3h8b s VAL 167 Cb -0.13 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.12 3h8b s VAL 167 CO -0.06 -0.25 1.00 1.33 0.00 0.00 0.00 175.10 177.12 3h8b n VAL 168 N 5.53 0.00 -3.47 2.92 0.24 0.00 -1.23 118.33 122.32 3h8b n VAL 168 Ca 0.04 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3h8b n VAL 168 Cb 0.48 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 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 1.24 -1.10 3.56 7.63 0.00 -1.19 -0.68 105.19 114.67 3h8b n GLY 169 Ca 0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.40 0.00 1.61 -0.85 0.24 -0.99 117.35 113.96 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 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3h8b s TYR 170 CO 0.00 -0.91 0.00 0.41 -1.52 0.00 0.00 175.55 173.53 3h8b n GLY 171 N -0.39 0.89 3.31 5.49 0.00 -0.54 -0.22 105.19 113.73 3h8b n GLY 171 Ca -0.12 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.12 -0.09 0.20 1.61 -0.71 -1.26 -1.76 117.98 113.84 3h8b s PHE 172 Ca 0.00 -0.26 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 3h8b s PHE 172 Cb 0.00 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 3h8b s PHE 172 CO 0.00 -0.69 0.20 -1.21 -1.34 0.00 0.00 175.22 172.18 3h8b s GLU 173 N -3.83 3.05 0.00 1.99 2.02 -1.26 -5.00 118.70 115.67 3h8b s GLU 173 Ca 0.05 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3h8b s GLU 173 Cb 0.02 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3h8b s GLU 173 CO -0.10 0.46 0.00 0.43 0.02 0.00 0.00 175.26 176.07 3h8b n SER 174 N -0.74 0.00 0.00 -0.19 7.64 -1.26 -4.92 113.62 114.16 3h8b n SER 174 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3h8b n SER 174 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.13 0.00 -4.88 6.43 6.94 -1.26 -5.33 115.26 117.29 3h8b n ASN 180 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 3h8b n ASN 180 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 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 3.70 0.10 -3.83 1.02 -1.26 -4.38 119.74 115.09 3h8b s LYS 181 Ca 0.00 0.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.91 3h8b s LYS 181 Cb 0.00 -2.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3h8b s LYS 181 CO 0.00 0.56 0.40 1.52 -0.92 0.00 0.00 175.35 176.90 3h8b s TYR 182 N -1.43 -0.21 -0.06 3.18 -0.85 -0.72 -1.32 117.35 115.93 3h8b s TYR 182 Ca 0.34 -0.04 -0.13 0.00 -0.52 0.00 0.00 57.07 56.71 3h8b s TYR 182 Cb -0.13 0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 3h8b s TYR 182 CO 0.19 -0.67 0.34 -1.58 -1.52 0.00 0.00 175.55 172.31 3h8b s TRP 183 N -3.48 3.63 -0.38 -3.49 0.52 0.16 -1.47 118.94 114.44 3h8b s TRP 183 Ca 0.01 0.82 -0.21 0.00 0.02 0.00 0.00 56.10 56.73 3h8b s TRP 183 Cb 0.01 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3h8b s TRP 183 CO -0.10 0.54 0.69 -1.17 0.02 0.00 0.00 176.95 176.94 3h8b s LEU 184 N -0.62 4.24 -0.12 2.99 0.20 -0.16 -0.89 118.68 124.32 3h8b s LEU 184 Ca 0.21 0.13 0.01 0.00 0.69 0.00 0.00 54.13 55.17 3h8b s LEU 184 Cb -0.15 -2.87 -0.01 0.00 -0.43 0.00 0.00 46.19 42.74 3h8b s LEU 184 CO 0.09 -0.69 -0.18 -0.69 -0.29 0.00 0.00 176.35 174.60 3h8b s VAL 185 N 2.89 2.61 -0.24 1.68 1.01 -0.43 -0.82 120.40 127.10 3h8b s VAL 185 Ca 0.27 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3h8b s VAL 185 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3h8b s VAL 185 CO 0.17 0.54 0.43 -0.75 0.00 0.00 0.00 175.10 175.48 3h8b s LYS 186 N 0.42 4.10 0.53 2.72 2.20 0.62 -0.92 119.74 129.40 3h8b s LYS 186 Ca -0.13 0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.74 3h8b s LYS 186 Cb -0.17 -3.61 0.06 0.00 -1.51 0.00 0.00 37.83 32.60 3h8b s LYS 186 CO 0.06 -0.20 0.73 1.21 -0.36 0.00 0.00 175.35 176.79 3h8b s ASN 187 N 1.37 5.23 -0.33 1.43 2.47 -0.78 -2.09 114.94 122.24 3h8b s ASN 187 Ca 0.19 -0.50 0.09 0.00 0.42 0.00 0.00 52.86 53.05 3h8b s ASN 187 Cb -0.15 -0.27 0.46 0.00 -1.45 0.00 0.00 41.25 39.83 3h8b s ASN 187 CO 0.09 -1.17 1.15 -1.54 -3.72 0.00 0.00 177.10 171.91 3h8b n SER 188 N -2.19 4.28 -0.77 -4.21 3.41 -1.26 -4.51 113.62 108.36 3h8b n SER 188 Ca 0.12 -3.48 0.05 0.00 -0.26 0.00 0.00 58.87 55.30 3h8b n SER 188 Cb 0.60 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.60 0.73 0.00 7.33 8.01 -1.18 -0.66 117.44 131.07 3h8b n TRP 189 Ca 0.36 -1.13 0.00 0.00 -1.31 0.00 0.00 57.50 55.42 3h8b n TRP 189 Cb 0.86 -0.32 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 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 -0.91 -1.53 0.49 6.99 0.00 -0.14 -4.42 105.19 105.67 3h8b n GLY 190 Ca 0.23 -1.56 0.14 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.85 1.67 0.00 1.61 0.28 -1.26 -3.54 120.64 117.56 3h8b n GLU 191 Ca 0.00 -0.98 0.15 0.00 -0.16 0.00 0.00 57.16 56.17 3h8b n GLU 191 Cb 0.00 -1.48 0.79 0.00 1.43 0.00 0.00 31.44 32.18 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 0.64 -4.15 3.44 -0.58 -1.26 -3.52 120.64 115.40 3h8b n GLU 192 Ca 0.19 -0.05 -0.35 0.00 -0.42 0.00 0.00 57.16 56.53 3h8b n GLU 192 Cb 0.36 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.65 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 -2.40 3.32 0.00 -0.32 -0.00 -1.23 -4.98 118.94 113.33 3h8b s TRP 193 Ca 0.34 0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.72 3h8b s TRP 193 Cb 0.21 -1.81 0.00 0.00 -0.00 0.00 0.00 33.47 31.87 3h8b s TRP 193 CO 0.44 0.57 0.00 0.41 -0.00 0.00 0.00 176.95 178.37 3h8b n GLY 194 N 1.73 2.38 3.45 5.86 0.00 -0.78 -0.51 105.19 117.32 3h8b n GLY 194 Ca -0.17 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 4.10 -2.01 1.61 -1.94 0.31 -4.42 119.30 116.95 3h8b s MET 195 Ca 0.00 -2.66 0.00 0.00 -1.71 0.00 0.00 55.69 51.32 3h8b s MET 195 Cb 0.00 -5.00 0.00 0.00 2.01 0.00 0.00 34.83 31.84 3h8b s MET 195 CO 0.00 -1.70 0.00 0.41 -0.01 0.00 0.00 175.02 173.72 3h8b n GLY 196 N 3.94 0.94 0.00 -0.03 0.00 -1.24 -1.77 105.19 107.02 3h8b n GLY 196 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.68 1.02 3.86 -0.02 0.00 0.34 -4.40 105.19 105.31 3h8b n GLY 197 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.04 3.12 -0.05 1.61 1.51 -0.73 -1.88 117.35 118.88 3h8b s TYR 198 Ca 0.00 -0.15 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 3h8b s TYR 198 Cb 0.00 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3h8b s TYR 198 CO 0.00 0.40 0.13 0.54 -1.11 0.00 0.00 175.55 175.51 3h8b s VAL 199 N -2.15 -0.03 -0.52 0.71 0.11 -0.10 -0.53 120.40 117.89 3h8b s VAL 199 Ca 0.36 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 59.27 3h8b s VAL 199 Cb -0.08 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3h8b s VAL 199 CO 0.26 0.04 0.85 -0.54 -3.33 0.00 0.00 175.10 172.38 3h8b s LYS 200 N 0.65 3.31 -0.06 1.54 1.02 -1.26 -1.32 119.74 123.63 3h8b s LYS 200 Ca -0.05 -0.35 -0.21 0.00 0.02 0.00 0.00 55.97 55.38 3h8b s LYS 200 Cb -0.07 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 3h8b s LYS 200 CO -0.03 -1.36 0.60 1.41 -0.92 0.00 0.00 175.35 175.05 3h8b s MET 201 N 3.56 4.36 -0.01 1.68 1.75 -0.07 0.41 119.30 130.99 3h8b s MET 201 Ca 0.27 0.70 -0.37 0.00 -1.25 0.00 0.00 55.69 55.04 3h8b s MET 201 Cb -0.14 -3.40 -0.16 0.00 2.84 0.00 0.00 34.83 33.97 3h8b s MET 201 CO 0.18 0.21 1.47 0.00 -0.65 0.00 0.00 175.02 176.23 3h8b n ALA 202 N 3.35 -0.64 -2.51 4.11 0.00 -0.77 0.40 120.51 124.45 3h8b n ALA 202 Ca -0.05 0.48 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 3h8b n ALA 202 Cb 0.51 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 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 1.38 2.31 -1.36 0.00 2.20 -0.43 -4.58 119.74 119.27 3h8b s LYS 203 Ca 0.88 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 55.56 3h8b s LYS 203 Cb -0.97 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3h8b s LYS 203 CO 0.52 0.57 1.00 -0.25 -0.36 0.00 0.00 175.35 176.83 3h8b n ASP 204 N 1.63 -6.17 -2.44 1.43 8.00 -1.26 -4.62 116.55 113.12 3h8b n ASP 204 Ca -0.16 -0.46 -0.23 0.00 0.71 0.00 0.00 54.79 54.65 3h8b n ASP 204 Cb 0.52 -4.84 0.01 0.00 -0.02 0.00 0.00 41.12 36.79 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 -4.60 3.11 -2.90 -1.24 5.12 -1.26 -4.92 116.66 109.97 3h8b n ARG 205 Ca -0.02 -4.25 -0.11 0.00 -1.93 0.00 0.00 57.85 51.53 3h8b n ARG 205 Cb 0.57 -2.10 0.06 0.00 -1.16 0.00 0.00 32.46 29.83 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 -0.47 -3.73 -3.83 5.56 1.74 -1.26 -3.74 116.66 110.93 3h8b n ARG 206 Ca 0.35 0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 57.70 3h8b n ARG 206 Cb 0.74 -4.69 0.02 0.00 -1.02 0.00 0.00 32.46 27.50 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 -2.50 -3.14 -4.68 0.55 5.15 -1.26 -4.81 115.26 104.57 3h8b n ASN 207 Ca -0.16 -1.04 -0.45 0.00 -0.60 0.00 0.00 54.58 52.34 3h8b n ASN 207 Cb 0.61 -3.10 -0.04 0.00 -0.53 0.00 0.00 39.78 36.72 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 -4.35 2.47 -1.32 1.20 -0.00 -1.25 -1.03 115.22 110.93 3h8b n HIS 208 Ca -0.18 -0.06 -0.11 0.00 -0.00 0.00 0.00 57.72 57.37 3h8b n HIS 208 Cb 0.63 -2.69 -0.05 0.00 -0.00 0.00 0.00 29.99 27.88 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 -0.85 -0.26 0.35 0.00 0.00 -0.20 -1.27 105.19 102.96 3h8b n GLY 210 Ca -0.11 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.50 0.90 -0.02 -0.61 2.04 -1.69 -2.30 117.51 115.33 3h8b h ILE 211 Ca -0.39 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3h8b h ILE 211 Cb 1.28 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3h8b h ILE 211 CO 0.44 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.51 3h8b n ALA 212 N -2.53 2.85 0.21 1.87 0.00 -1.26 -4.44 120.51 117.22 3h8b n ALA 212 Ca 0.09 -0.55 0.10 0.00 0.00 0.00 0.00 53.44 53.09 3h8b n ALA 212 Cb 0.35 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 19.02 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 2.79 0.00 -1.61 0.00 0.02 -1.72 -3.35 113.55 109.68 3h8b h SER 213 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 3h8b h SER 213 Cb 0.69 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.86 3h8b h SER 213 CO 0.00 0.12 -1.11 0.00 -1.14 0.00 0.00 176.83 174.70 3h8b n ALA 214 N -2.13 1.94 -2.82 3.77 0.00 -1.26 -4.87 120.51 115.14 3h8b n ALA 214 Ca 0.03 -3.13 -0.36 0.00 0.00 0.00 0.00 53.44 49.98 3h8b n ALA 214 Cb 0.55 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.23 3.79 0.28 0.00 0.00 -1.26 -3.64 121.76 118.70 3h8b s ALA 215 Ca 0.36 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3h8b s ALA 215 Cb 0.36 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3h8b s ALA 215 CO -0.06 0.45 0.67 -1.54 0.00 0.00 0.00 175.76 175.28 3h8b s SER 216 N -0.51 -0.22 0.02 0.00 1.04 -0.20 -1.12 113.70 112.71 3h8b s SER 216 Ca 0.12 -0.69 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 3h8b s SER 216 Cb -0.12 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3h8b s SER 216 CO 0.02 -1.31 0.37 -0.72 0.98 0.00 0.00 173.24 172.58 3h8b s TYR 217 N -3.91 -0.23 0.40 5.02 1.13 -0.89 -1.07 117.35 117.80 3h8b s TYR 217 Ca 0.14 0.25 -0.21 0.00 -1.41 0.00 0.00 57.07 55.84 3h8b s TYR 217 Cb -0.05 0.16 -0.11 0.00 -1.10 0.00 0.00 41.96 40.87 3h8b s TYR 217 CO 0.08 -0.49 0.93 -1.25 -2.51 0.00 0.00 175.55 172.30 3h8b s PRO 218 N -1.97 4.28 -0.38 -3.49 0.04 -1.26 -0.39 135.00 131.83 3h8b s PRO 218 Ca -0.09 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 3h8b s PRO 218 Cb -0.02 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.20 3h8b s PRO 218 CO 0.01 0.05 0.60 0.95 0.04 0.00 0.00 177.00 178.65 3h8b s THR 219 N -2.05 4.91 -0.66 1.26 -4.23 0.01 -4.87 115.64 110.01 3h8b s THR 219 Ca 0.59 0.37 0.05 0.00 -1.18 0.00 0.00 61.69 61.52 3h8b s THR 219 Cb -0.11 -4.08 0.04 0.00 1.34 0.00 0.00 72.50 69.69 3h8b s THR 219 CO 0.15 -0.37 0.67 1.33 -0.54 0.00 0.00 174.62 175.86