#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8c n PRO 2 N 0.00 -1.59 0.08 0.00 -0.04 -1.26 -4.92 135.00 127.28 3h8c n PRO 2 Ca 0.00 -0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 3h8c n PRO 2 Cb 0.00 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.69 3h8c n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h8c h ARG 3 N -2.05 0.16 -4.42 0.54 2.47 -2.03 -3.47 114.38 105.59 3h8c h ARG 3 Ca -0.53 -0.25 -0.17 0.00 -1.26 0.00 0.00 59.98 57.77 3h8c h ARG 3 Cb 1.36 0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.62 3h8c h ARG 3 CO 0.38 1.09 -0.69 -1.12 0.56 0.00 0.00 179.97 180.19 3h8c s SER 4 N -6.95 0.76 -0.13 7.04 0.01 -1.26 -4.46 113.70 108.69 3h8c s SER 4 Ca -0.02 -1.01 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 3h8c s SER 4 Cb 0.09 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.52 3h8c s SER 4 CO 0.85 -0.55 0.35 -0.69 0.41 0.00 0.00 173.24 173.61 3h8c s VAL 5 N -3.80 -0.01 -0.44 3.43 1.01 -0.14 -4.94 120.40 115.51 3h8c s VAL 5 Ca 0.10 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.17 3h8c s VAL 5 Cb 0.07 -0.50 0.22 0.00 0.00 0.00 0.00 36.38 36.16 3h8c s VAL 5 CO -0.07 0.01 0.57 -0.67 0.00 0.00 0.00 175.10 174.94 3h8c n ASP 6 N 3.20 -1.19 0.26 3.32 -0.08 -1.26 -1.55 116.55 119.26 3h8c n ASP 6 Ca -0.15 -2.75 0.05 0.00 -1.51 0.00 0.00 54.79 50.43 3h8c n ASP 6 Cb 0.57 0.24 0.28 0.00 2.34 0.00 0.00 41.12 44.55 3h8c n ASP 6 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3h8c h TRP 7 N 4.63 0.00 -0.38 -0.67 -0.00 -1.75 0.26 115.95 118.04 3h8c h TRP 7 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.86 3h8c h TRP 7 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 3h8c h TRP 7 CO 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 178.44 178.46 3h8c h ARG 8 N 0.00 0.75 0.00 0.49 3.08 -1.94 -2.60 114.38 114.15 3h8c h ARG 8 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3h8c h ARG 8 Cb 1.26 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3h8c h ARG 8 CO 0.00 0.89 0.00 0.39 -1.07 0.00 0.00 179.97 180.18 3h8c n GLU 9 N -4.12 0.06 0.00 0.04 1.02 0.90 -2.96 120.64 115.58 3h8c n GLU 9 Ca 0.00 0.24 0.08 0.00 -0.02 0.00 0.00 57.16 57.46 3h8c n GLU 9 Cb 0.42 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3h8c n GLU 9 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h8c n LYS 10 N -1.43 1.52 -0.41 3.49 4.76 -1.00 -4.98 118.16 120.12 3h8c n LYS 10 Ca 0.04 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 3h8c n LYS 10 Cb 0.13 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3h8c n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h8c n GLY 11 N 1.03 0.76 0.13 0.72 0.00 -1.16 -4.98 105.19 101.68 3h8c n GLY 11 Ca 0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 3h8c n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h8c h TYR 12 N 0.00 0.49 -3.29 1.61 -1.99 -1.73 -3.45 116.97 108.61 3h8c h TYR 12 Ca 0.00 -0.35 -0.58 0.00 2.00 0.00 0.00 58.73 59.80 3h8c h TYR 12 Cb 0.00 -0.02 -0.07 0.00 2.00 0.00 0.00 36.73 38.64 3h8c h TYR 12 CO 0.00 1.53 -0.14 0.08 -0.00 0.00 0.00 178.16 179.63 3h8c s VAL 13 N -2.59 5.14 0.69 -2.88 1.01 -1.25 -4.15 120.40 116.36 3h8c s VAL 13 Ca -0.14 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 62.72 3h8c s VAL 13 Cb 0.06 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.67 3h8c s VAL 13 CO 0.83 0.37 1.03 0.42 0.00 0.00 0.00 175.10 177.74 3h8c s THR 14 N 0.34 2.92 0.77 3.92 -4.23 -1.26 -4.98 115.64 113.11 3h8c s THR 14 Ca 0.26 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.66 3h8c s THR 14 Cb -0.16 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.50 3h8c s THR 14 CO 0.11 -0.28 1.19 -2.84 -0.54 0.00 0.00 174.62 172.26 3h8c s PRO 15 N -5.25 1.92 0.36 3.99 0.02 -1.26 -4.91 135.00 129.87 3h8c s PRO 15 Ca 0.58 1.69 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 3h8c s PRO 15 Cb -0.11 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.49 3h8c s PRO 15 CO 0.47 -1.99 1.52 0.08 -0.33 0.00 0.00 177.00 176.75 3h8c s VAL 16 N -2.16 2.02 0.51 3.83 1.01 -1.26 -5.02 120.40 119.34 3h8c s VAL 16 Ca 0.72 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.78 3h8c s VAL 16 Cb -0.27 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3h8c s VAL 16 CO 0.48 0.01 0.32 -0.54 0.00 0.00 0.00 175.10 175.37 3h8c s LYS 17 N -1.75 2.26 -0.11 2.72 1.02 -1.26 -4.75 119.74 117.87 3h8c s LYS 17 Ca 0.55 -2.02 -0.01 0.00 0.02 0.00 0.00 55.97 54.52 3h8c s LYS 17 Cb -0.47 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3h8c s LYS 17 CO 0.60 -0.49 -0.04 1.21 -0.92 0.00 0.00 175.35 175.72 3h8c s ASN 18 N -4.17 2.07 0.08 2.83 3.84 -1.26 -0.49 114.94 117.84 3h8c s ASN 18 Ca 0.32 -0.29 0.27 0.00 0.21 0.00 0.00 52.86 53.37 3h8c s ASN 18 Cb -0.01 -0.68 1.05 0.00 -0.55 0.00 0.00 41.25 41.06 3h8c s ASN 18 CO 0.19 -0.17 1.84 0.00 -2.79 0.00 0.00 177.10 176.17 3h8c n GLN 19 N 5.02 0.09 0.00 0.43 10.64 0.72 -4.89 117.38 129.40 3h8c n GLN 19 Ca -0.10 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3h8c n GLN 19 Cb 0.50 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 3h8c n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h8c n GLY 20 N 1.26 -1.10 3.49 2.61 0.00 -1.26 -4.03 105.19 106.16 3h8c n GLY 20 Ca 0.06 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 3h8c n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h8c s GLN 21 N 0.00 3.90 -0.28 1.61 -0.21 -1.26 -4.81 119.66 118.60 3h8c s GLN 21 Ca 0.00 -2.13 -0.22 0.00 0.02 0.00 0.00 55.36 53.03 3h8c s GLN 21 Cb 0.00 -5.13 0.11 0.00 1.00 0.00 0.00 33.01 28.99 3h8c s GLN 21 CO 0.00 -1.89 0.94 0.00 -2.12 0.00 0.00 175.29 172.21 3h8c n GLY 23 N 2.79 3.75 3.20 0.00 0.00 0.73 -4.96 105.19 110.71 3h8c n GLY 23 Ca -0.15 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3h8c n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h8c s SER 24 N 2.29 5.83 0.00 1.61 1.04 -1.26 -2.91 113.70 120.30 3h8c s SER 24 Ca 0.64 -2.42 0.00 0.00 0.48 0.00 0.00 55.95 54.66 3h8c s SER 24 Cb 0.20 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.31 3h8c s SER 24 CO -0.04 -0.56 0.00 -2.67 0.98 0.00 0.00 173.24 170.95 3h8c n TRP 26 N 4.21 0.00 -0.09 5.02 4.27 -1.26 -2.47 117.44 127.12 3h8c n TRP 26 Ca 0.03 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.50 3h8c n TRP 26 Cb 0.41 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.34 3h8c n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3h8c h ALA 27 N 0.00 0.52 -0.27 -1.67 0.00 -1.91 -2.11 119.26 113.83 3h8c h ALA 27 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3h8c h ALA 27 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h8c h ALA 27 CO 0.00 0.68 -0.23 0.74 0.00 0.00 0.00 179.25 180.44 3h8c h PHE 28 N 0.69 0.55 -0.55 0.00 -1.00 -1.87 -0.87 116.94 113.90 3h8c h PHE 28 Ca 0.03 -0.11 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 3h8c h PHE 28 Cb 1.09 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3h8c h PHE 28 CO 0.07 0.69 -0.10 1.03 -1.61 0.00 0.00 178.31 178.39 3h8c h SER 29 N 0.44 1.03 0.14 2.17 0.87 -1.79 -1.91 113.55 114.50 3h8c h SER 29 Ca 0.07 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 3h8c h SER 29 Cb 0.64 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3h8c h SER 29 CO 0.05 1.13 -0.07 0.00 -0.53 0.00 0.00 176.83 177.41 3h8c h ALA 30 N 0.93 -0.19 -1.00 6.23 0.00 -1.03 -2.58 119.26 121.62 3h8c h ALA 30 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3h8c h ALA 30 Cb 0.66 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3h8c h ALA 30 CO 0.05 -0.46 0.65 1.79 0.00 0.00 0.00 179.25 181.27 3h8c h THR 31 N -0.47 1.16 0.10 0.00 1.35 -1.17 -0.15 112.91 113.73 3h8c h THR 31 Ca -0.02 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.42 3h8c h THR 31 Cb 0.37 -0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.58 3h8c h THR 31 CO 0.03 0.23 -0.14 1.23 -0.25 0.00 0.00 175.52 176.61 3h8c h GLY 32 N 1.25 -0.27 0.98 5.82 0.00 -1.29 0.67 103.07 110.23 3h8c h GLY 32 Ca 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 3h8c h GLY 32 CO -0.13 -0.14 0.24 0.00 0.00 0.00 0.00 176.54 176.51 3h8c h ALA 33 N 0.57 0.56 -0.33 3.60 0.00 -1.04 -1.41 119.26 121.21 3h8c h ALA 33 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h8c h ALA 33 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3h8c h ALA 33 CO -0.07 0.08 0.10 1.25 0.00 0.00 0.00 179.25 180.62 3h8c h LEU 34 N 0.58 0.48 -1.01 0.00 6.46 -0.79 0.12 115.31 121.15 3h8c h LEU 34 Ca 0.16 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 3h8c h LEU 34 Cb 0.05 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.78 3h8c h LEU 34 CO -0.03 0.55 0.64 -0.33 -0.62 0.00 0.00 178.44 178.66 3h8c h GLU 35 N 0.38 1.07 -0.36 1.25 5.08 0.53 0.20 114.58 122.74 3h8c h GLU 35 Ca 0.11 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3h8c h GLU 35 Cb 0.24 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3h8c h GLU 35 CO -0.00 0.71 -0.04 0.78 -1.00 0.00 0.00 179.01 179.45 3h8c h GLY 36 N 1.11 0.72 1.75 -3.84 0.00 -0.65 -2.43 103.07 99.73 3h8c h GLY 36 Ca 0.46 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3h8c h GLY 36 CO -0.21 0.51 -0.42 1.46 0.00 0.00 0.00 176.54 177.89 3h8c h GLN 37 N 0.47 0.27 0.16 4.80 1.08 -0.28 -3.12 115.11 118.49 3h8c h GLN 37 Ca 0.10 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3h8c h GLN 37 Cb 0.53 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3h8c h GLN 37 CO 0.03 0.65 -0.08 0.52 -0.95 0.00 0.00 178.83 179.00 3h8c h MET 38 N 0.23 -0.21 -0.68 1.46 2.86 -0.93 -3.00 114.93 114.66 3h8c h MET 38 Ca 0.02 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 3h8c h MET 38 Cb 0.84 0.05 -0.13 0.00 0.06 0.00 0.00 31.60 32.42 3h8c h MET 38 CO 0.07 0.07 -0.33 0.35 1.06 0.00 0.00 176.91 178.12 3h8c h PHE 39 N -0.48 -0.90 -0.22 -0.22 3.57 -1.41 0.83 116.94 118.11 3h8c h PHE 39 Ca -0.02 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3h8c h PHE 39 Cb 0.37 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3h8c h PHE 39 CO 0.01 -0.38 0.26 -0.09 -2.23 0.00 0.00 178.31 175.88 3h8c h ARG 40 N -0.12 0.00 0.00 1.11 2.43 -1.51 0.89 114.38 117.19 3h8c h ARG 40 Ca 0.27 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 3h8c h ARG 40 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3h8c h ARG 40 CO -0.75 0.00 -1.14 1.17 -1.51 0.00 0.00 179.97 177.74 3h8c n LYS 41 N -3.71 0.52 0.00 0.20 4.81 0.25 -4.65 118.16 115.58 3h8c n LYS 41 Ca 0.03 0.47 -0.06 0.00 -0.87 0.00 0.00 58.31 57.87 3h8c n LYS 41 Cb 0.39 -1.65 -0.12 0.00 0.02 0.00 0.00 35.03 33.67 3h8c n LYS 41 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3h8c h THR 42 N -1.00 0.81 0.00 3.15 1.35 -0.37 -3.48 112.91 113.37 3h8c h THR 42 Ca -0.23 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 3h8c h THR 42 Cb 1.02 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3h8c h THR 42 CO -0.14 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3h8c n GLY 43 N 1.49 0.84 3.30 5.82 0.00 0.31 -5.03 105.19 111.91 3h8c n GLY 43 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3h8c n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h8c s ARG 44 N -0.54 3.31 -0.59 1.61 0.52 -1.26 -4.99 118.95 117.02 3h8c s ARG 44 Ca 0.00 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.32 3h8c s ARG 44 Cb 0.00 -2.80 0.07 0.00 0.52 0.00 0.00 34.95 32.74 3h8c s ARG 44 CO 0.00 -0.06 0.83 -1.17 0.02 0.00 0.00 175.30 174.92 3h8c s LEU 45 N 1.05 4.68 -0.20 2.53 2.96 -1.26 -4.24 118.68 124.20 3h8c s LEU 45 Ca -0.00 -0.94 -0.01 0.00 -0.22 0.00 0.00 54.13 52.95 3h8c s LEU 45 Cb -0.15 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.07 3h8c s LEU 45 CO -0.02 -1.21 -0.12 -0.63 -1.32 0.00 0.00 176.35 173.06 3h8c s ILE 46 N 3.42 2.78 0.19 6.68 1.09 -1.26 -5.10 121.20 129.00 3h8c s ILE 46 Ca 0.20 -0.70 -0.32 0.00 -1.10 0.00 0.00 60.65 58.73 3h8c s ILE 46 Cb -0.18 -2.22 -0.12 0.00 -1.06 0.00 0.00 42.46 38.88 3h8c s ILE 46 CO 0.11 0.48 1.74 -0.55 -0.10 0.00 0.00 174.94 176.63 3h8c s SER 47 N 1.32 6.39 0.42 3.58 0.15 -1.26 -4.88 113.70 119.41 3h8c s SER 47 Ca 0.04 2.85 -0.01 0.00 0.70 0.00 0.00 55.95 59.53 3h8c s SER 47 Cb -0.14 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 3h8c s SER 47 CO -0.07 -0.98 0.65 -0.76 1.20 0.00 0.00 173.24 173.29 3h8c s LEU 48 N 1.46 3.79 -0.53 3.45 1.43 -1.26 0.61 118.68 127.63 3h8c s LEU 48 Ca 0.76 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 3h8c s LEU 48 Cb -0.49 -3.40 0.04 0.00 0.03 0.00 0.00 46.19 42.37 3h8c s LEU 48 CO 0.33 -0.51 0.90 -0.55 0.23 0.00 0.00 176.35 176.74 3h8c s SER 49 N -4.12 6.35 0.19 2.29 0.15 -1.03 -3.83 113.70 113.71 3h8c s SER 49 Ca 0.45 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.81 3h8c s SER 49 Cb -0.10 -2.42 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 3h8c s SER 49 CO 0.39 -1.15 1.45 -0.33 1.20 0.00 0.00 173.24 174.80 3h8c h GLU 50 N 9.23 0.15 -0.79 5.44 3.07 -1.89 -2.81 114.58 126.98 3h8c h GLU 50 Ca -0.26 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3h8c h GLU 50 Cb 1.08 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 3h8c h GLU 50 CO 1.06 0.86 0.48 0.37 -1.40 0.00 0.00 179.01 180.38 3h8c h GLN 51 N 0.09 1.06 -0.14 2.33 5.75 -1.84 0.48 115.11 122.84 3h8c h GLN 51 Ca -0.03 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3h8c h GLN 51 Cb 1.38 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3h8c h GLN 51 CO 0.12 0.73 0.05 -0.97 -2.65 0.00 0.00 178.83 176.11 3h8c h ASN 52 N 1.08 0.06 -0.37 -0.69 -0.00 -1.75 -0.12 115.58 113.78 3h8c h ASN 52 Ca 0.28 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.57 3h8c h ASN 52 Cb -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.25 3h8c h ASN 52 CO -0.05 0.06 0.15 -0.07 -0.00 0.00 0.00 177.43 177.51 3h8c h LEU 53 N 0.12 0.51 -1.14 0.34 3.38 -1.00 -0.76 115.31 116.76 3h8c h LEU 53 Ca 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3h8c h LEU 53 Cb 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3h8c h LEU 53 CO -0.06 0.54 0.53 0.58 0.09 0.00 0.00 178.44 180.12 3h8c h VAL 54 N 0.46 1.22 0.00 1.22 2.07 0.16 -1.26 116.25 120.12 3h8c h VAL 54 Ca 0.12 -0.44 -0.23 0.00 0.82 0.00 0.00 66.70 66.98 3h8c h VAL 54 Cb 0.19 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 3h8c h VAL 54 CO -0.01 0.22 -1.33 0.44 0.02 0.00 0.00 177.57 176.91 3h8c h ASP 55 N 1.14 0.00 -0.00 0.57 3.32 -0.89 -3.40 116.42 117.16 3h8c h ASP 55 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3h8c h ASP 55 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h8c h ASP 55 CO -0.06 0.88 -0.29 0.00 -1.72 0.00 0.00 179.24 178.05 3h8c n SER 57 N -0.76 3.61 -0.17 0.00 3.41 -0.48 -4.27 113.62 114.96 3h8c n SER 57 Ca 0.02 -2.53 -0.08 0.00 -0.26 0.00 0.00 58.87 56.03 3h8c n SER 57 Cb 0.15 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3h8c n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h8c h GLY 58 N 4.40 1.05 1.45 5.00 0.00 -1.82 -2.59 103.07 110.55 3h8c h GLY 58 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.56 3h8c h GLY 58 CO 0.28 0.74 0.32 -2.55 0.00 0.00 0.00 176.54 175.33 3h8c h PRO 59 N 0.87 0.54 0.00 4.80 0.11 -1.86 -1.88 132.00 134.58 3h8c h PRO 59 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3h8c h PRO 59 Cb 0.62 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3h8c h PRO 59 CO 0.04 0.36 0.00 1.04 -0.21 0.00 0.00 178.00 179.23 3h8c n GLN 60 N -4.47 0.05 0.00 1.05 3.00 -1.11 -4.90 117.38 111.00 3h8c n GLN 60 Ca 0.05 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3h8c n GLN 60 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.87 3h8c n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h8c n GLY 61 N 1.07 1.38 3.81 1.08 0.00 -0.71 -4.86 105.19 106.97 3h8c n GLY 61 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3h8c n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h8c s ASN 62 N -1.71 6.83 -0.34 1.61 0.01 -0.99 -4.89 114.94 115.46 3h8c s ASN 62 Ca 0.00 1.79 0.07 0.00 -0.71 0.00 0.00 52.86 54.01 3h8c s ASN 62 Cb 0.00 -2.55 0.58 0.00 0.41 0.00 0.00 41.25 39.68 3h8c s ASN 62 CO 0.00 -0.43 1.64 -0.62 -1.51 0.00 0.00 177.10 176.17 3h8c n GLU 63 N -0.53 2.11 0.00 -0.60 -0.58 0.15 -4.15 120.64 117.04 3h8c n GLU 63 Ca 0.07 -3.11 0.00 0.00 -0.42 0.00 0.00 57.16 53.69 3h8c n GLU 63 Cb 0.53 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 3h8c n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h8c n GLY 64 N -1.06 3.24 0.00 0.62 0.00 -1.17 -1.75 105.19 105.08 3h8c n GLY 64 Ca 0.42 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3h8c n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8c n ASN 66 N -0.97 2.88 0.00 0.00 3.02 -0.71 -0.19 115.26 119.28 3h8c n ASN 66 Ca 0.09 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 3h8c n ASN 66 Cb 0.04 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3h8c n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h8c n GLY 67 N 1.34 2.77 0.00 7.41 0.00 -0.53 -4.91 105.19 111.28 3h8c n GLY 67 Ca 0.14 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3h8c n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 68 N -1.29 -1.15 3.06 -0.02 0.00 -1.26 0.30 105.19 104.83 3h8c n GLY 68 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 3h8c n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h8c s LEU 69 N 0.00 2.14 0.27 0.99 1.43 -1.26 -4.80 118.68 117.45 3h8c s LEU 69 Ca 0.00 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3h8c s LEU 69 Cb 0.00 -0.36 0.34 0.00 0.03 0.00 0.00 46.19 46.20 3h8c s LEU 69 CO 0.00 -0.03 1.90 0.24 0.23 0.00 0.00 176.35 178.69 3h8c h MET 70 N 5.16 1.13 -0.30 1.70 2.86 -1.99 -1.95 114.93 121.53 3h8c h MET 70 Ca -0.34 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3h8c h MET 70 Cb 1.19 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3h8c h MET 70 CO 0.45 0.81 0.02 -0.44 1.06 0.00 0.00 176.91 178.81 3h8c h ASP 71 N 1.14 0.42 -0.41 1.22 5.19 -1.96 -0.60 116.42 121.41 3h8c h ASP 71 Ca 0.29 -0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.61 3h8c h ASP 71 Cb -0.01 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3h8c h ASP 71 CO -0.05 0.47 0.14 1.88 -3.12 0.00 0.00 179.24 178.56 3h8c h TYR 72 N 0.44 0.65 -0.62 4.55 0.05 -1.69 0.33 116.97 120.67 3h8c h TYR 72 Ca 0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3h8c h TYR 72 Cb 0.26 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3h8c h TYR 72 CO 0.01 0.59 0.37 0.00 -1.05 0.00 0.00 178.16 178.08 3h8c h ALA 73 N 0.99 0.79 -0.10 3.88 0.00 -1.06 0.67 119.26 124.43 3h8c h ALA 73 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h8c h ALA 73 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3h8c h ALA 73 CO -0.01 0.28 0.06 0.74 0.00 0.00 0.00 179.25 180.32 3h8c h PHE 74 N 0.84 0.14 -0.63 0.00 0.04 -0.77 -0.84 116.94 115.71 3h8c h PHE 74 Ca 0.22 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.03 3h8c h PHE 74 Cb -0.01 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 3h8c h PHE 74 CO -0.02 0.14 0.42 0.37 -0.60 0.00 0.00 178.31 178.62 3h8c h GLN 75 N 0.09 0.70 0.36 1.51 5.75 0.17 -1.60 115.11 122.09 3h8c h GLN 75 Ca 0.04 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3h8c h GLN 75 Cb 0.04 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.44 3h8c h GLN 75 CO -0.01 0.46 -0.17 -0.92 -2.65 0.00 0.00 178.83 175.54 3h8c h TYR 76 N 0.72 -0.45 -0.68 3.99 3.20 0.12 -1.98 116.97 121.90 3h8c h TYR 76 Ca 0.26 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.21 3h8c h TYR 76 Cb 0.12 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3h8c h TYR 76 CO -0.00 -0.20 0.31 0.28 -1.64 0.00 0.00 178.16 176.91 3h8c h VAL 77 N -0.62 0.81 0.41 1.81 2.07 -0.71 0.33 116.25 120.34 3h8c h VAL 77 Ca -0.05 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3h8c h VAL 77 Cb 0.45 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3h8c h VAL 77 CO 0.08 0.10 -0.39 -0.61 0.02 0.00 0.00 177.57 176.77 3h8c h GLN 78 N 0.53 -0.79 -0.81 1.57 4.15 -1.16 0.46 115.11 119.06 3h8c h GLN 78 Ca 0.34 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.77 3h8c h GLN 78 Cb 0.39 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 3h8c h GLN 78 CO -0.29 -0.53 0.33 -0.44 -1.93 0.00 0.00 178.83 175.98 3h8c h ASP 79 N -0.82 1.11 0.83 -0.69 3.32 -1.00 -2.40 116.42 116.77 3h8c h ASP 79 Ca -0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3h8c h ASP 79 Cb 0.72 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3h8c h ASP 79 CO -0.05 0.98 -0.03 -1.13 -1.72 0.00 0.00 179.24 177.28 3h8c h ASN 80 N 1.18 0.00 0.00 6.45 -1.24 -0.05 -3.46 115.58 118.46 3h8c h ASN 80 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 3h8c h ASN 80 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3h8c h ASN 80 CO -0.02 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 3h8c n GLY 81 N -0.15 0.32 0.00 1.57 0.00 0.16 -4.92 105.19 102.17 3h8c n GLY 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h8c n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 82 N -1.49 0.78 3.17 -0.02 0.00 -1.04 -4.92 105.19 101.67 3h8c n GLY 82 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3h8c n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h8c s LEU 83 N 0.00 -0.45 0.97 0.99 2.96 -1.15 -4.69 118.68 117.33 3h8c s LEU 83 Ca 0.00 0.83 -0.11 0.00 -0.22 0.00 0.00 54.13 54.64 3h8c s LEU 83 Cb 0.00 1.11 0.18 0.00 0.50 0.00 0.00 46.19 47.98 3h8c s LEU 83 CO 0.00 -0.23 1.12 -1.81 -1.32 0.00 0.00 176.35 174.11 3h8c s ASP 84 N 2.40 2.45 0.50 3.68 1.01 -1.26 -1.44 116.67 124.01 3h8c s ASP 84 Ca -0.02 2.04 -0.18 0.00 0.71 0.00 0.00 52.55 55.11 3h8c s ASP 84 Cb -0.12 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 3h8c s ASP 84 CO -0.11 -3.38 0.99 -0.94 0.21 0.00 0.00 175.17 171.94 3h8c s SER 85 N -2.63 6.61 0.25 0.27 1.04 -1.24 -2.46 113.70 115.54 3h8c s SER 85 Ca 0.67 1.63 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 3h8c s SER 85 Cb -0.23 -2.52 0.40 0.00 0.10 0.00 0.00 66.02 63.77 3h8c s SER 85 CO 0.60 -0.60 1.82 -0.08 0.98 0.00 0.00 173.24 175.96 3h8c h GLU 86 N 1.11 0.82 -0.72 4.02 4.57 0.07 0.77 114.58 125.22 3h8c h GLU 86 Ca -0.47 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 3h8c h GLU 86 Cb 1.19 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 3h8c h GLU 86 CO 0.61 0.54 0.23 1.49 -1.18 0.00 0.00 179.01 180.71 3h8c h GLU 87 N 0.85 1.12 -0.00 1.92 4.81 -1.91 -2.12 114.58 119.25 3h8c h GLU 87 Ca 0.40 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 3h8c h GLU 87 Cb 0.34 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3h8c h GLU 87 CO -0.23 0.95 -0.74 0.66 -0.73 0.00 0.00 179.01 178.92 3h8c h SER 88 N 1.06 0.03 -2.59 1.04 4.64 -1.70 -3.36 113.55 112.67 3h8c h SER 88 Ca 0.23 -0.02 -0.60 0.00 -0.47 0.00 0.00 61.79 60.93 3h8c h SER 88 Cb 0.29 -0.01 -0.40 0.00 -0.31 0.00 0.00 62.40 61.97 3h8c h SER 88 CO -0.01 0.76 -0.77 0.00 -0.87 0.00 0.00 176.83 175.94 3h8c n TYR 89 N -3.67 1.51 -1.21 4.77 4.19 0.18 -4.97 117.16 117.95 3h8c n TYR 89 Ca -0.01 -3.87 -0.34 0.00 3.31 0.00 0.00 57.90 56.99 3h8c n TYR 89 Cb 0.72 -0.29 0.11 0.00 0.49 0.00 0.00 39.34 40.37 3h8c n TYR 89 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3h8c n PRO 90 N 2.02 0.32 -3.22 2.98 -0.04 -0.81 -4.51 135.00 131.73 3h8c n PRO 90 Ca 0.25 0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 3h8c n PRO 90 Cb 0.42 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 3h8c n PRO 90 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h8c s TYR 91 N -1.99 3.54 -0.14 0.54 5.04 -1.26 -4.70 117.35 118.38 3h8c s TYR 91 Ca 0.73 1.01 0.18 0.00 -2.44 0.00 0.00 57.07 56.55 3h8c s TYR 91 Cb -0.31 -2.64 0.30 0.00 0.35 0.00 0.00 41.96 39.67 3h8c s TYR 91 CO 0.51 0.14 1.16 0.39 -1.34 0.00 0.00 175.55 176.41 3h8c n GLU 92 N 3.70 1.31 -2.10 4.97 4.71 -1.26 -4.99 120.64 126.99 3h8c n GLU 92 Ca -0.05 -2.65 -0.04 0.00 -0.01 0.00 0.00 57.16 54.40 3h8c n GLU 92 Cb 0.52 -1.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.43 3h8c n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3h8c n ALA 93 N -1.39 -0.68 -3.28 0.62 0.00 -1.26 -4.87 120.51 109.65 3h8c n ALA 93 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 3h8c n ALA 93 Cb 0.65 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3h8c n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h8c s THR 94 N -1.97 0.05 -0.30 0.00 -1.32 -1.26 -4.60 115.64 106.23 3h8c s THR 94 Ca 0.00 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 3h8c s THR 94 Cb 0.00 -0.77 0.01 0.00 -1.51 0.00 0.00 72.50 70.23 3h8c s THR 94 CO 0.00 -0.21 1.15 -0.70 -2.21 0.00 0.00 174.62 172.65 3h8c s GLU 95 N -1.55 4.03 0.21 7.08 2.12 -1.26 -4.99 118.70 124.34 3h8c s GLU 95 Ca -0.11 1.16 0.02 0.00 0.36 0.00 0.00 54.97 56.39 3h8c s GLU 95 Cb -0.03 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.60 3h8c s GLU 95 CO 0.04 -0.95 0.17 0.39 -0.54 0.00 0.00 175.26 174.37 3h8c n GLU 96 N 6.98 1.14 -3.08 4.30 -0.58 -1.26 -5.08 120.64 123.06 3h8c n GLU 96 Ca 0.13 -1.27 -0.39 0.00 -0.42 0.00 0.00 57.16 55.20 3h8c n GLU 96 Cb 0.47 0.11 -0.06 0.00 -0.57 0.00 0.00 31.44 31.39 3h8c n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h8c s SER 97 N -2.23 7.28 0.11 1.62 1.04 -1.26 -4.66 113.70 115.60 3h8c s SER 97 Ca 0.13 1.51 -0.36 0.00 0.48 0.00 0.00 55.95 57.72 3h8c s SER 97 Cb -0.01 -2.45 -0.16 0.00 0.10 0.00 0.00 66.02 63.50 3h8c s SER 97 CO 0.08 0.23 1.39 0.00 0.98 0.00 0.00 173.24 175.92 3h8c n LYS 99 N 2.68 1.11 -1.80 0.00 5.02 -1.26 -5.05 118.16 118.85 3h8c n LYS 99 Ca 0.18 -2.85 -0.41 0.00 -2.02 0.00 0.00 58.31 53.21 3h8c n LYS 99 Cb 0.22 -0.99 -0.00 0.00 -0.02 0.00 0.00 35.03 34.23 3h8c n LYS 99 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3h8c s TYR 100 N -1.96 2.63 -0.20 2.13 5.04 -1.26 -5.00 117.35 118.73 3h8c s TYR 100 Ca 0.36 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 56.04 3h8c s TYR 100 Cb 0.38 -4.03 0.06 0.00 0.35 0.00 0.00 41.96 38.72 3h8c s TYR 100 CO -0.10 -3.13 0.06 1.21 -1.34 0.00 0.00 175.55 172.25 3h8c s ASN 101 N 0.01 2.83 0.63 4.32 3.84 -1.26 -5.03 114.94 120.28 3h8c s ASN 101 Ca 0.55 -0.82 0.24 0.00 0.21 0.00 0.00 52.86 53.04 3h8c s ASN 101 Cb -0.47 -0.49 1.16 0.00 -0.55 0.00 0.00 41.25 40.90 3h8c s ASN 101 CO 0.59 -0.33 1.64 -0.65 -2.79 0.00 0.00 177.10 175.56 3h8c h PRO 102 N 8.30 0.00 -0.00 0.43 0.11 -1.99 -1.62 132.00 137.23 3h8c h PRO 102 Ca -0.16 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.78 3h8c h PRO 102 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3h8c h PRO 102 CO 0.33 0.00 -0.79 -0.22 -0.21 0.00 0.00 178.00 177.11 3h8c h LYS 103 N 0.00 0.04 0.00 1.05 3.64 -2.02 -3.28 116.57 115.99 3h8c h LYS 103 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3h8c h LYS 103 Cb 1.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 3h8c h LYS 103 CO -0.00 0.81 -0.88 0.66 -2.27 0.00 0.00 179.45 177.76 3h8c n TYR 104 N -3.63 0.36 -1.49 1.91 4.01 -0.61 -4.96 117.16 112.76 3h8c n TYR 104 Ca -0.01 0.10 -0.49 0.00 -0.16 0.00 0.00 57.90 57.34 3h8c n TYR 104 Cb 0.76 -0.51 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 3h8c n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h8c n SER 105 N -2.01 -0.04 -0.45 7.72 2.88 -1.21 -3.65 113.62 116.87 3h8c n SER 105 Ca 0.02 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.72 3h8c n SER 105 Cb 0.44 -1.06 0.01 0.00 -0.75 0.00 0.00 64.21 62.85 3h8c n SER 105 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3h8c n VAL 106 N 0.58 0.19 -3.61 2.46 0.24 -0.52 -4.89 118.33 112.79 3h8c n VAL 106 Ca 0.16 -0.23 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 3h8c n VAL 106 Cb 0.24 0.43 -0.01 0.00 -1.47 0.00 0.00 33.84 33.02 3h8c n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h8c s ALA 107 N -0.29 -2.04 -0.07 2.33 0.00 -1.25 -5.02 121.76 115.43 3h8c s ALA 107 Ca 0.03 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3h8c s ALA 107 Cb 0.03 0.21 0.12 0.00 0.00 0.00 0.00 23.12 23.48 3h8c s ALA 107 CO 0.00 -0.82 1.08 1.21 0.00 0.00 0.00 175.76 177.23 3h8c s ASN 108 N -2.58 -0.21 0.22 0.00 3.04 -1.26 -2.91 114.94 111.24 3h8c s ASN 108 Ca 0.11 -0.06 0.02 0.00 0.04 0.00 0.00 52.86 52.97 3h8c s ASN 108 Cb 0.01 0.27 -0.05 0.00 -1.54 0.00 0.00 41.25 39.94 3h8c s ASN 108 CO -0.04 -0.45 0.03 1.51 -3.04 0.00 0.00 177.10 175.11 3h8c s ASP 109 N -2.47 1.43 -0.07 -4.21 1.47 -1.26 -4.57 116.67 106.99 3h8c s ASP 109 Ca 0.09 -1.26 0.13 0.00 1.18 0.00 0.00 52.55 52.69 3h8c s ASP 109 Cb -0.00 0.09 0.41 0.00 -0.34 0.00 0.00 42.92 43.08 3h8c s ASP 109 CO -0.05 -0.60 1.34 1.07 0.68 0.00 0.00 175.17 177.60 3h8c n THR 110 N -0.38 1.50 0.00 2.11 5.66 0.26 -4.45 114.28 118.99 3h8c n THR 110 Ca -0.04 -1.32 0.00 0.00 -3.05 0.00 0.00 64.05 59.64 3h8c n THR 110 Cb 0.64 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 3h8c n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h8c n GLY 111 N 0.19 0.95 3.15 1.09 0.00 -1.24 -4.96 105.19 104.37 3h8c n GLY 111 Ca 0.16 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 3h8c n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8c s PHE 112 N -2.21 0.51 -0.17 1.61 -0.71 -1.26 -0.27 117.98 115.48 3h8c s PHE 112 Ca 0.00 -0.98 -0.01 0.00 -1.04 0.00 0.00 56.93 54.90 3h8c s PHE 112 Cb 0.00 -0.32 -0.00 0.00 -1.21 0.00 0.00 43.02 41.49 3h8c s PHE 112 CO 0.00 -0.47 -0.13 0.08 -1.34 0.00 0.00 175.22 173.36 3h8c s VAL 113 N -3.94 2.84 -0.25 -2.49 1.01 0.86 -4.85 120.40 113.58 3h8c s VAL 113 Ca 0.11 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3h8c s VAL 113 Cb 0.07 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3h8c s VAL 113 CO -0.07 0.50 0.57 -1.81 0.00 0.00 0.00 175.10 174.28 3h8c s ASP 114 N 0.98 6.52 0.20 3.32 1.01 -1.26 -2.00 116.67 125.44 3h8c s ASP 114 Ca -0.02 0.64 -0.28 0.00 0.71 0.00 0.00 52.55 53.60 3h8c s ASP 114 Cb -0.15 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 3h8c s ASP 114 CO -0.02 -0.30 0.86 -0.63 0.21 0.00 0.00 175.17 175.28 3h8c s ILE 115 N 2.27 4.22 0.36 0.77 1.01 -0.11 -4.99 121.20 124.73 3h8c s ILE 115 Ca 0.24 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.53 3h8c s ILE 115 Cb -0.16 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 3h8c s ILE 115 CO 0.09 0.51 0.86 -2.65 0.00 0.00 0.00 174.94 173.75 3h8c n PRO 116 N 1.54 1.07 -1.04 2.79 -0.02 -1.26 -4.57 135.00 133.50 3h8c n PRO 116 Ca -0.04 0.38 -0.26 0.00 -2.02 0.00 0.00 63.50 61.56 3h8c n PRO 116 Cb 0.48 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 3h8c n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h8c n LYS 117 N 0.50 2.70 -4.21 -0.52 5.02 -1.26 -4.63 118.16 115.76 3h8c n LYS 117 Ca 0.11 -1.60 -0.17 0.00 -2.02 0.00 0.00 58.31 54.63 3h8c n LYS 117 Cb 0.36 -2.44 -0.15 0.00 -0.02 0.00 0.00 35.03 32.78 3h8c n LYS 117 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3h8c s GLN 118 N 2.16 0.54 0.30 1.97 2.00 -1.26 -4.80 119.66 120.57 3h8c s GLN 118 Ca 0.59 -0.21 -0.01 0.00 -2.00 0.00 0.00 55.36 53.74 3h8c s GLN 118 Cb 0.19 -0.53 0.45 0.00 0.80 0.00 0.00 33.01 33.92 3h8c s GLN 118 CO -0.03 0.11 1.89 0.93 -0.50 0.00 0.00 175.29 177.68 3h8c h GLU 119 N 6.14 0.87 -0.81 1.67 5.08 -1.89 -1.66 114.58 123.98 3h8c h GLU 119 Ca -0.30 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3h8c h GLU 119 Cb 1.18 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3h8c h GLU 119 CO 0.50 0.71 0.54 -0.22 -1.00 0.00 0.00 179.01 179.53 3h8c h LYS 120 N 0.87 1.01 -0.00 2.33 3.64 -1.96 0.49 116.57 122.94 3h8c h LYS 120 Ca 0.21 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3h8c h LYS 120 Cb 0.15 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3h8c h LYS 120 CO -0.02 0.67 -0.72 0.00 -2.27 0.00 0.00 179.45 177.11 3h8c h ALA 121 N 1.51 0.81 -0.15 5.00 0.00 -1.64 -2.85 119.26 121.96 3h8c h ALA 121 Ca 0.31 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3h8c h ALA 121 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h8c h ALA 121 CO -0.08 0.89 -0.30 1.25 0.00 0.00 0.00 179.25 181.01 3h8c h LEU 122 N 0.00 0.51 -0.53 0.00 5.85 -0.52 -2.81 115.31 117.81 3h8c h LEU 122 Ca -0.01 -0.56 0.10 0.00 0.84 0.00 0.00 57.88 58.25 3h8c h LEU 122 Cb 1.27 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 3h8c h LEU 122 CO 0.09 0.97 0.05 -0.03 -0.34 0.00 0.00 178.44 179.19 3h8c h MET 123 N 0.07 0.17 -0.39 1.25 4.05 -0.92 0.16 114.93 119.32 3h8c h MET 123 Ca 0.00 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3h8c h MET 123 Cb 0.89 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 3h8c h MET 123 CO 0.07 0.11 0.24 0.87 0.23 0.00 0.00 176.91 178.43 3h8c h LYS 124 N 0.18 0.54 -0.40 0.39 1.57 -1.51 -1.50 116.57 115.84 3h8c h LYS 124 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3h8c h LYS 124 Cb 0.40 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3h8c h LYS 124 CO -0.40 0.40 -0.05 0.00 -0.57 0.00 0.00 179.45 178.83 3h8c h ALA 125 N 1.11 1.18 -0.32 3.86 0.00 -1.10 -1.51 119.26 122.47 3h8c h ALA 125 Ca 0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3h8c h ALA 125 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3h8c h ALA 125 CO -0.03 0.53 -0.43 0.28 0.00 0.00 0.00 179.25 179.60 3h8c h VAL 126 N 0.61 1.28 0.00 0.00 2.07 -0.43 0.68 116.25 120.46 3h8c h VAL 126 Ca 0.12 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.98 3h8c h VAL 126 Cb 0.46 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3h8c h VAL 126 CO 0.02 0.53 -0.23 0.00 0.02 0.00 0.00 177.57 177.91 3h8c h ALA 127 N 0.85 0.91 -0.00 1.67 0.00 -1.07 -3.22 119.26 118.40 3h8c h ALA 127 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h8c h ALA 127 Cb 1.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h8c h ALA 127 CO 0.10 0.28 -0.10 0.25 0.00 0.00 0.00 179.25 179.78 3h8c n THR 128 N -3.24 0.00 0.00 0.00 -2.24 -0.59 -4.82 114.28 103.40 3h8c n THR 128 Ca 0.02 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3h8c n THR 128 Cb 0.53 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3h8c n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h8c n VAL 129 N -0.61 0.00 0.00 2.28 0.31 0.22 -5.05 118.33 115.48 3h8c n VAL 129 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3h8c n VAL 129 Cb 0.07 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3h8c n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h8c n GLY 130 N 3.25 0.55 3.66 2.92 0.00 -1.22 -4.84 105.19 109.52 3h8c n GLY 130 Ca 0.00 -2.27 -0.46 0.00 0.00 0.00 0.00 46.02 43.28 3h8c n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h8c n PRO 131 N 0.00 2.04 -4.81 1.61 -0.02 -1.26 -4.50 135.00 128.07 3h8c n PRO 131 Ca 0.00 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 3h8c n PRO 131 Cb 0.00 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 30.86 3h8c n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h8c s ILE 132 N 0.74 3.02 0.02 4.25 -1.09 -0.30 -4.65 121.20 123.19 3h8c s ILE 132 Ca 0.78 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 58.21 3h8c s ILE 132 Cb -0.70 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 3h8c s ILE 132 CO 0.40 0.53 1.10 -0.44 -1.23 0.00 0.00 174.94 175.31 3h8c s SER 133 N 0.23 7.21 0.15 3.58 0.01 -0.69 -0.39 113.70 123.79 3h8c s SER 133 Ca -0.09 1.84 -0.01 0.00 1.31 0.00 0.00 55.95 59.00 3h8c s SER 133 Cb -0.15 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3h8c s SER 133 CO 0.05 -0.39 0.08 0.68 0.41 0.00 0.00 173.24 174.07 3h8c s VAL 134 N 1.13 0.08 -0.03 3.43 -7.23 0.18 -1.36 120.40 116.59 3h8c s VAL 134 Ca 0.55 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.86 3h8c s VAL 134 Cb -0.25 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 3h8c s VAL 134 CO 0.28 -0.35 -0.22 0.00 -0.31 0.00 0.00 175.10 174.50 3h8c s ALA 135 N -4.07 1.86 0.28 1.32 0.00 -1.24 0.11 121.76 120.01 3h8c s ALA 135 Ca 0.27 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3h8c s ALA 135 Cb 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 3h8c s ALA 135 CO 0.04 0.42 0.10 0.96 0.00 0.00 0.00 175.76 177.28 3h8c s ILE 136 N -0.37 0.66 -0.60 0.00 -4.36 0.18 -4.04 121.20 112.67 3h8c s ILE 136 Ca 0.05 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.25 3h8c s ILE 136 Cb -0.10 -2.64 0.11 0.00 1.25 0.00 0.00 42.46 41.07 3h8c s ILE 136 CO 0.00 0.00 0.70 -0.62 0.24 0.00 0.00 174.94 175.26 3h8c s ASP 137 N -3.37 6.20 0.00 4.36 2.15 -1.05 -1.04 116.67 123.92 3h8c s ASP 137 Ca 0.37 -1.51 0.15 0.00 0.43 0.00 0.00 52.55 51.99 3h8c s ASP 137 Cb 0.07 -2.29 0.40 0.00 -0.30 0.00 0.00 42.92 40.80 3h8c s ASP 137 CO 0.14 -1.08 1.33 0.00 -0.17 0.00 0.00 175.17 175.39 3h8c n ALA 138 N 6.19 2.26 -1.16 3.66 0.00 -1.26 -4.76 120.51 125.45 3h8c n ALA 138 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 53.44 51.90 3h8c n ALA 138 Cb 0.42 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 3h8c n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h8c n GLY 139 N 0.91 3.77 3.09 0.00 0.00 -1.26 -4.68 105.19 107.02 3h8c n GLY 139 Ca 0.16 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3h8c n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h8c s HIS 140 N 2.01 -0.35 0.35 1.61 3.76 -1.26 -5.03 115.29 116.37 3h8c s HIS 140 Ca 0.65 0.83 0.16 0.00 -0.15 0.00 0.00 55.06 56.55 3h8c s HIS 140 Cb 0.20 0.08 1.15 0.00 1.11 0.00 0.00 32.58 35.12 3h8c s HIS 140 CO -0.04 -0.23 1.65 1.05 -0.85 0.00 0.00 174.74 176.31 3h8c h GLU 141 N 7.02 0.25 -0.28 1.40 4.11 -2.00 0.56 114.58 125.64 3h8c h GLU 141 Ca -0.39 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.01 3h8c h GLU 141 Cb 1.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3h8c h GLU 141 CO 0.36 0.17 0.08 0.66 0.07 0.00 0.00 179.01 180.35 3h8c h SER 142 N 0.26 0.35 0.62 3.06 4.64 -1.95 -1.69 113.55 118.85 3h8c h SER 142 Ca 0.76 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.85 3h8c h SER 142 Cb 1.81 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.79 3h8c h SER 142 CO -0.63 0.35 -0.86 0.15 -0.87 0.00 0.00 176.83 174.98 3h8c h PHE 143 N 0.39 0.24 -0.53 4.77 3.57 -0.18 -2.02 116.94 123.18 3h8c h PHE 143 Ca 0.10 -0.13 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 3h8c h PHE 143 Cb 0.14 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3h8c h PHE 143 CO 0.00 0.94 -0.12 1.25 -2.23 0.00 0.00 178.31 178.15 3h8c h LEU 144 N 0.09 1.03 -3.73 0.59 5.85 -1.00 -3.09 115.31 115.05 3h8c h LEU 144 Ca -0.04 -0.36 -0.39 0.00 0.84 0.00 0.00 57.88 57.94 3h8c h LEU 144 Cb 1.49 -0.28 -0.23 0.00 0.37 0.00 0.00 40.66 42.01 3h8c h LEU 144 CO 0.13 1.15 0.33 0.49 -0.34 0.00 0.00 178.44 180.20 3h8c n PHE 145 N -4.15 2.25 -1.82 1.25 3.72 -0.70 -4.79 117.46 113.22 3h8c n PHE 145 Ca 0.01 -1.81 -0.42 0.00 -0.05 0.00 0.00 57.45 55.18 3h8c n PHE 145 Cb 0.41 -0.77 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 3h8c n PHE 145 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3h8c s TYR 146 N -3.31 2.95 -0.15 1.38 5.04 -0.76 -4.90 117.35 117.60 3h8c s TYR 146 Ca 0.52 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.67 3h8c s TYR 146 Cb 0.45 -4.04 -0.09 0.00 0.35 0.00 0.00 41.96 38.63 3h8c s TYR 146 CO 0.06 -3.83 -0.15 1.63 -1.34 0.00 0.00 175.55 171.92 3h8c n LYS 147 N 3.66 0.35 -3.89 4.97 5.02 -1.26 -3.43 118.16 123.59 3h8c n LYS 147 Ca 0.14 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3h8c n LYS 147 Cb 0.37 -1.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 3h8c n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h8c s GLU 148 N -2.29 0.05 0.72 1.97 4.04 -1.26 -4.03 118.70 117.90 3h8c s GLU 148 Ca -0.20 -0.03 0.00 0.00 0.04 0.00 0.00 54.97 54.77 3h8c s GLU 148 Cb 0.06 0.02 0.00 0.00 0.02 0.00 0.00 34.13 34.23 3h8c s GLU 148 CO 0.32 -0.02 0.00 0.41 -1.84 0.00 0.00 175.26 174.12 3h8c n GLY 149 N -0.83 -1.84 3.50 -3.83 0.00 -1.26 -4.78 105.19 96.14 3h8c n GLY 149 Ca 0.01 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 3h8c n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8c s ILE 150 N 0.00 5.07 0.02 -0.61 1.01 -1.26 -4.05 121.20 121.38 3h8c s ILE 150 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3h8c s ILE 150 Cb 0.00 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 3h8c s ILE 150 CO 0.00 -0.37 1.73 -0.47 0.00 0.00 0.00 174.94 175.83 3h8c s TYR 151 N 2.20 1.99 -0.23 3.97 5.04 0.65 -4.79 117.35 126.18 3h8c s TYR 151 Ca 0.13 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.81 3h8c s TYR 151 Cb -0.17 -4.02 0.09 0.00 0.35 0.00 0.00 41.96 38.21 3h8c s TYR 151 CO 0.14 -4.29 0.15 0.12 -1.34 0.00 0.00 175.55 170.33 3h8c s PHE 152 N 3.56 0.07 -0.51 4.97 5.36 -1.26 -2.22 117.98 127.94 3h8c s PHE 152 Ca 0.77 -0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 56.22 3h8c s PHE 152 Cb -0.38 -0.68 0.12 0.00 -0.34 0.00 0.00 43.02 41.75 3h8c s PHE 152 CO 0.34 -0.69 0.43 -2.00 -1.46 0.00 0.00 175.22 171.84 3h8c s GLU 153 N 2.19 2.77 0.03 10.12 2.56 -1.26 -4.93 118.70 130.17 3h8c s GLU 153 Ca 0.06 -1.73 0.01 0.00 0.00 0.00 0.00 54.97 53.32 3h8c s GLU 153 Cb -0.16 -4.13 0.08 0.00 2.00 0.00 0.00 34.13 31.92 3h8c s GLU 153 CO -0.22 -1.27 0.88 -0.35 -0.56 0.00 0.00 175.26 173.75 3h8c n PRO 154 N 5.10 0.01 -0.29 4.30 -0.04 -1.26 0.01 135.00 142.83 3h8c n PRO 154 Ca -0.11 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3h8c n PRO 154 Cb 0.40 -1.71 0.25 0.00 -0.04 0.00 0.00 33.50 32.41 3h8c n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h8c n ASP 155 N -1.41 3.55 -4.77 3.54 2.03 -1.26 -4.99 116.55 113.24 3h8c n ASP 155 Ca -0.00 -1.99 -0.34 0.00 0.52 0.00 0.00 54.79 52.98 3h8c n ASP 155 Cb 0.18 -0.38 0.02 0.00 -0.72 0.00 0.00 41.12 40.22 3h8c n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h8c s SER 157 N -2.12 3.51 0.00 0.00 0.15 -1.26 -4.76 113.70 109.22 3h8c s SER 157 Ca 0.70 -0.60 0.15 0.00 0.70 0.00 0.00 55.95 56.90 3h8c s SER 157 Cb -0.22 -1.56 0.92 0.00 -1.71 0.00 0.00 66.02 63.45 3h8c s SER 157 CO 0.33 -0.01 1.37 -1.54 1.20 0.00 0.00 173.24 174.58 3h8c n SER 158 N 4.67 0.00 0.00 5.45 3.41 -1.26 -2.76 113.62 123.13 3h8c n SER 158 Ca -0.20 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 3h8c n SER 158 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3h8c n SER 158 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3h8c n GLU 159 N -0.87 0.94 -3.54 4.33 -0.00 -1.26 -4.27 120.64 115.97 3h8c n GLU 159 Ca 0.12 -0.79 -0.27 0.00 -0.00 0.00 0.00 57.16 56.22 3h8c n GLU 159 Cb 0.05 -0.71 -0.10 0.00 -0.00 0.00 0.00 31.44 30.68 3h8c n GLU 159 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3h8c n ASP 160 N -0.17 0.80 -4.79 -1.84 2.03 -1.11 -5.10 116.55 106.36 3h8c n ASP 160 Ca 0.00 -2.69 -0.38 0.00 0.52 0.00 0.00 54.79 52.24 3h8c n ASP 160 Cb 0.35 -0.63 -0.06 0.00 -0.72 0.00 0.00 41.12 40.06 3h8c n ASP 160 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3h8c s MET 161 N -0.60 4.09 0.00 -0.67 -1.94 -1.26 -4.34 119.30 114.58 3h8c s MET 161 Ca 0.31 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 3h8c s MET 161 Cb 0.03 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.56 3h8c s MET 161 CO -0.18 0.49 0.06 -0.40 -0.01 0.00 0.00 175.02 174.99 3h8c n ASP 162 N 2.52 0.13 -3.90 3.03 5.68 -0.21 -4.91 116.55 118.89 3h8c n ASP 162 Ca -0.12 -0.45 -0.27 0.00 -0.50 0.00 0.00 54.79 53.46 3h8c n ASP 162 Cb 0.52 0.45 -0.17 0.00 -1.14 0.00 0.00 41.12 40.78 3h8c n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3h8c s HIS 163 N -0.45 1.48 0.05 2.11 5.04 -0.41 -4.94 115.29 118.16 3h8c s HIS 163 Ca 0.00 -0.75 -0.26 0.00 -1.54 0.00 0.00 55.06 52.51 3h8c s HIS 163 Cb 0.00 -1.23 -0.05 0.00 0.04 0.00 0.00 32.58 31.34 3h8c s HIS 163 CO 0.00 -0.52 0.81 0.20 -2.34 0.00 0.00 174.74 172.89 3h8c s GLY 164 N 1.71 2.83 0.11 1.59 0.00 -1.26 -0.65 107.32 111.65 3h8c s GLY 164 Ca 0.05 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.12 3h8c s GLY 164 CO -0.08 1.21 0.13 3.33 0.00 0.00 0.00 173.10 177.68 3h8c n VAL 165 N 2.95 0.00 -4.05 1.40 0.24 0.30 -4.63 118.33 114.54 3h8c n VAL 165 Ca -0.01 -0.72 -0.31 0.00 -2.04 0.00 0.00 64.34 61.26 3h8c n VAL 165 Cb 0.50 0.39 -0.16 0.00 -1.47 0.00 0.00 33.84 33.10 3h8c n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h8c s LEU 166 N 0.00 1.88 -0.36 1.34 2.96 -1.15 -0.65 118.68 122.71 3h8c s LEU 166 Ca 0.12 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.20 3h8c s LEU 166 Cb 0.00 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.42 3h8c s LEU 166 CO 0.08 -0.04 0.90 -0.69 -1.32 0.00 0.00 176.35 175.28 3h8c s VAL 167 N 1.41 4.63 -1.64 1.68 1.01 0.47 -1.08 120.40 126.89 3h8c s VAL 167 Ca 0.05 1.18 0.13 0.00 0.00 0.00 0.00 61.98 63.34 3h8c s VAL 167 Cb -0.13 -4.29 0.11 0.00 0.00 0.00 0.00 36.38 32.07 3h8c s VAL 167 CO -0.11 -0.48 0.93 1.33 0.00 0.00 0.00 175.10 176.77 3h8c n VAL 168 N 5.88 0.03 -3.32 2.92 0.24 -0.11 -1.15 118.33 122.82 3h8c n VAL 168 Ca 0.06 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 3h8c n VAL 168 Cb 0.48 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.10 3h8c n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h8c n GLY 169 N 0.75 -1.00 3.58 7.63 0.00 -1.20 -1.77 105.19 113.18 3h8c n GLY 169 Ca 0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 3h8c n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h8c s TYR 170 N -3.00 -0.19 0.00 1.61 -0.85 -0.59 -1.22 117.35 113.11 3h8c s TYR 170 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 3h8c s TYR 170 Cb 0.00 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3h8c s TYR 170 CO 0.00 -0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.17 3h8c n GLY 171 N 0.03 1.89 3.66 5.49 0.00 -0.68 -0.97 105.19 114.61 3h8c n GLY 171 Ca -0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3h8c n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h8c s PHE 172 N -1.58 -0.07 0.35 1.61 -0.71 -1.26 -1.48 117.98 114.84 3h8c s PHE 172 Ca 0.00 -0.31 0.08 0.00 -1.04 0.00 0.00 56.93 55.65 3h8c s PHE 172 Cb 0.00 0.49 -0.07 0.00 -1.21 0.00 0.00 43.02 42.23 3h8c s PHE 172 CO 0.00 -1.06 -0.04 -1.21 -1.34 0.00 0.00 175.22 171.57 3h8c s GLU 173 N -3.91 1.80 0.00 1.99 2.02 -1.26 -5.01 118.70 114.33 3h8c s GLU 173 Ca 0.12 -1.97 0.00 0.00 0.02 0.00 0.00 54.97 53.15 3h8c s GLU 173 Cb -0.03 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.68 3h8c s GLU 173 CO 0.03 0.04 0.15 0.43 0.02 0.00 0.00 175.26 175.93 3h8c n SER 174 N -0.81 0.42 0.00 -0.19 7.64 -1.26 -5.00 113.62 114.43 3h8c n SER 174 Ca -0.05 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.20 3h8c n SER 174 Cb 0.65 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 3h8c n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h8c n ASN 180 N 1.40 0.00 -4.89 6.43 6.94 -1.26 -5.32 115.26 118.56 3h8c n ASN 180 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.25 3h8c n ASN 180 Cb 0.05 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.42 3h8c n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h8c s LYS 181 N 0.00 3.64 0.10 -3.83 1.02 -1.26 -4.32 119.74 115.09 3h8c s LYS 181 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 3h8c s LYS 181 Cb 0.00 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3h8c s LYS 181 CO 0.00 0.44 0.31 1.52 -0.92 0.00 0.00 175.35 176.71 3h8c s TYR 182 N -1.69 -0.07 -0.11 3.18 -0.85 -0.55 -1.47 117.35 115.78 3h8c s TYR 182 Ca 0.42 -0.24 -0.04 0.00 -0.52 0.00 0.00 57.07 56.69 3h8c s TYR 182 Cb -0.12 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 3h8c s TYR 182 CO 0.24 -0.61 0.05 -1.58 -1.52 0.00 0.00 175.55 172.13 3h8c s TRP 183 N -3.56 3.29 -0.34 -3.49 0.52 0.26 -1.68 118.94 113.93 3h8c s TRP 183 Ca 0.02 0.25 -0.20 0.00 0.02 0.00 0.00 56.10 56.19 3h8c s TRP 183 Cb 0.02 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.46 3h8c s TRP 183 CO -0.10 0.47 0.61 -1.17 0.02 0.00 0.00 176.95 176.78 3h8c s LEU 184 N -0.66 4.25 -0.13 2.99 0.20 -0.36 -0.10 118.68 124.87 3h8c s LEU 184 Ca 0.11 0.18 0.03 0.00 0.69 0.00 0.00 54.13 55.14 3h8c s LEU 184 Cb -0.12 -2.75 0.01 0.00 -0.43 0.00 0.00 46.19 42.90 3h8c s LEU 184 CO 0.02 -0.54 -0.21 -0.69 -0.29 0.00 0.00 176.35 174.64 3h8c s VAL 185 N 2.62 1.96 -0.23 1.68 1.01 0.20 -0.93 120.40 126.71 3h8c s VAL 185 Ca 0.23 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 3h8c s VAL 185 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 3h8c s VAL 185 CO 0.14 0.53 0.76 -0.75 0.00 0.00 0.00 175.10 175.78 3h8c s LYS 186 N 0.74 4.19 0.54 2.72 2.20 -0.24 -0.98 119.74 128.91 3h8c s LYS 186 Ca -0.10 0.82 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 3h8c s LYS 186 Cb -0.16 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3h8c s LYS 186 CO 0.00 -0.43 0.75 1.21 -0.36 0.00 0.00 175.35 176.53 3h8c s ASN 187 N 1.33 5.28 -0.30 1.43 3.84 -0.12 -2.92 114.94 123.46 3h8c s ASN 187 Ca 0.32 -0.13 0.10 0.00 0.21 0.00 0.00 52.86 53.37 3h8c s ASN 187 Cb -0.16 -0.74 0.47 0.00 -0.55 0.00 0.00 41.25 40.27 3h8c s ASN 187 CO 0.09 -1.13 1.16 -1.54 -2.79 0.00 0.00 177.10 172.88 3h8c n SER 188 N -2.28 4.08 -0.80 -4.21 3.41 -1.26 -4.47 113.62 108.08 3h8c n SER 188 Ca 0.09 -3.35 0.08 0.00 -0.26 0.00 0.00 58.87 55.43 3h8c n SER 188 Cb 0.60 -0.39 0.24 0.00 -0.26 0.00 0.00 64.21 64.39 3h8c n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h8c n TRP 189 N -0.64 0.82 0.00 7.33 8.01 -1.21 -0.20 117.44 131.55 3h8c n TRP 189 Ca 0.35 -0.83 0.00 0.00 -1.31 0.00 0.00 57.50 55.70 3h8c n TRP 189 Cb 0.89 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.93 3h8c n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h8c n GLY 190 N -0.43 0.11 0.07 6.99 0.00 0.35 -4.56 105.19 107.73 3h8c n GLY 190 Ca 0.20 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3h8c n GLY 190 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h8c h GLU 191 N 0.00 0.00 -0.07 1.61 4.11 -1.85 -3.32 114.58 115.07 3h8c h GLU 191 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 3h8c h GLU 191 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3h8c h GLU 191 CO 0.00 0.00 -0.49 0.93 0.07 0.00 0.00 179.01 179.52 3h8c h GLU 192 N 0.00 0.17 -6.93 1.06 4.39 -1.90 -3.22 114.58 108.15 3h8c h GLU 192 Ca 0.00 -0.09 -0.53 0.00 0.34 0.00 0.00 59.36 59.08 3h8c h GLU 192 Cb 0.77 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.51 3h8c h GLU 192 CO 0.00 0.62 0.66 -0.46 -1.16 0.00 0.00 179.01 178.67 3h8c s TRP 193 N -3.97 2.81 0.00 4.33 -0.00 -1.25 -4.75 118.94 116.11 3h8c s TRP 193 Ca -0.04 1.35 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 3h8c s TRP 193 Cb 0.13 -3.77 0.00 0.00 -0.00 0.00 0.00 33.47 29.84 3h8c s TRP 193 CO 0.77 -2.28 0.00 0.41 -0.00 0.00 0.00 176.95 175.85 3h8c n GLY 194 N 0.66 2.80 3.21 5.86 0.00 -1.22 0.21 105.19 116.71 3h8c n GLY 194 Ca 0.02 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3h8c n GLY 194 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3h8c n MET 195 N 14.00 3.85 -1.76 1.61 1.56 -0.40 -4.51 117.12 131.47 3h8c n MET 195 Ca 0.00 -4.39 -0.14 0.00 -0.27 0.00 0.00 57.70 52.90 3h8c n MET 195 Cb 0.00 -2.60 -0.04 0.00 2.15 0.00 0.00 33.22 32.73 3h8c n MET 195 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3h8c n GLY 196 N 2.35 0.76 0.47 -5.12 0.00 -1.21 -1.88 105.19 100.56 3h8c n GLY 196 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3h8c n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h8c n GLY 197 N -1.16 0.55 3.63 -0.02 0.00 0.13 -4.72 105.19 103.59 3h8c n GLY 197 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3h8c n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h8c s TYR 198 N -2.27 2.61 -0.03 1.61 1.51 -0.79 -0.95 117.35 119.04 3h8c s TYR 198 Ca 0.00 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3h8c s TYR 198 Cb 0.00 -1.26 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 3h8c s TYR 198 CO 0.00 0.58 0.08 0.54 -1.11 0.00 0.00 175.55 175.64 3h8c s VAL 199 N -2.40 -0.01 -0.52 0.71 0.11 -0.15 -1.28 120.40 116.86 3h8c s VAL 199 Ca 0.32 0.05 -0.20 0.00 -2.93 0.00 0.00 61.98 59.23 3h8c s VAL 199 Cb -0.05 -0.13 0.06 0.00 -1.53 0.00 0.00 36.38 34.73 3h8c s VAL 199 CO 0.19 0.02 0.70 -0.54 -3.33 0.00 0.00 175.10 172.15 3h8c s LYS 200 N 0.34 3.16 -0.14 1.54 1.02 -1.26 -0.63 119.74 123.77 3h8c s LYS 200 Ca -0.02 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.11 3h8c s LYS 200 Cb -0.04 -4.10 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 3h8c s LYS 200 CO -0.01 -1.31 0.09 -1.64 -0.92 0.00 0.00 175.35 171.56 3h8c s MET 201 N 2.93 3.58 -0.35 1.68 -1.94 0.86 -0.25 119.30 125.81 3h8c s MET 201 Ca 0.18 -0.25 -0.38 0.00 -1.71 0.00 0.00 55.69 53.53 3h8c s MET 201 Cb -0.18 -3.14 -0.17 0.00 2.01 0.00 0.00 34.83 33.35 3h8c s MET 201 CO 0.13 0.57 1.26 0.00 -0.01 0.00 0.00 175.02 176.97 3h8c n ALA 202 N 2.61 -1.43 -2.97 3.03 0.00 -0.94 0.89 120.51 121.70 3h8c n ALA 202 Ca -0.18 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 3h8c n ALA 202 Cb 0.54 -1.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 3h8c n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h8c s LYS 203 N 2.10 3.32 -0.76 0.00 2.20 -0.54 -4.59 119.74 121.47 3h8c s LYS 203 Ca 0.85 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 55.77 3h8c s LYS 203 Cb -1.21 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 3h8c s LYS 203 CO 0.65 0.28 0.54 -0.25 -0.36 0.00 0.00 175.35 176.21 3h8c n ASP 204 N 3.33 -4.24 -2.78 1.43 8.00 -1.26 -4.47 116.55 116.56 3h8c n ASP 204 Ca -0.18 -0.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.78 3h8c n ASP 204 Cb 0.53 -2.91 -0.01 0.00 -0.02 0.00 0.00 41.12 38.70 3h8c n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h8c n ARG 205 N -2.78 3.45 -3.34 -1.24 5.12 -1.26 -4.86 116.66 111.75 3h8c n ARG 205 Ca -0.02 -4.57 -0.16 0.00 -1.93 0.00 0.00 57.85 51.17 3h8c n ARG 205 Cb 0.54 -2.26 0.08 0.00 -1.16 0.00 0.00 32.46 29.66 3h8c n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h8c n ARG 206 N -0.37 -6.13 -3.73 5.56 1.74 -1.26 -3.24 116.66 109.24 3h8c n ARG 206 Ca 0.38 0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 57.99 3h8c n ARG 206 Cb 0.49 -5.68 0.03 0.00 -1.02 0.00 0.00 32.46 26.28 3h8c n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h8c n ASN 207 N -3.02 -3.24 -4.68 0.55 5.15 -1.26 -4.82 115.26 103.95 3h8c n ASN 207 Ca -0.27 -0.95 -0.49 0.00 -0.60 0.00 0.00 54.58 52.27 3h8c n ASN 207 Cb 0.66 -3.56 -0.05 0.00 -0.53 0.00 0.00 39.78 36.30 3h8c n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h8c n HIS 208 N -4.20 2.23 -1.28 1.20 -0.00 -1.20 -0.32 115.22 111.65 3h8c n HIS 208 Ca -0.19 0.18 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 3h8c n HIS 208 Cb 0.64 -2.58 -0.04 0.00 -0.00 0.00 0.00 29.99 28.00 3h8c n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h8c n GLY 210 N -0.91 -0.52 0.32 0.00 0.00 0.57 -2.54 105.19 102.12 3h8c n GLY 210 Ca -0.10 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3h8c n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h8c h ILE 211 N -1.56 0.66 -0.02 -0.61 2.10 -1.69 -1.69 117.51 114.71 3h8c h ILE 211 Ca -0.52 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.42 3h8c h ILE 211 Cb 1.35 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3h8c h ILE 211 CO 0.57 0.00 -0.26 0.00 -1.08 0.00 0.00 178.15 177.39 3h8c n ALA 212 N -2.43 3.07 0.87 0.18 0.00 -1.26 -4.38 120.51 116.56 3h8c n ALA 212 Ca 0.01 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 52.99 3h8c n ALA 212 Cb 0.27 -0.92 0.54 0.00 0.00 0.00 0.00 19.45 19.34 3h8c n ALA 212 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h8c n SER 213 N 0.20 0.00 -2.69 0.00 7.64 -0.63 -4.01 113.62 114.12 3h8c n SER 213 Ca 0.12 0.50 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 3h8c n SER 213 Cb 0.46 -0.50 0.06 0.00 -1.01 0.00 0.00 64.21 63.22 3h8c n SER 213 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h8c n ALA 214 N -1.50 2.49 -2.57 -0.43 0.00 -1.26 -4.90 120.51 112.34 3h8c n ALA 214 Ca 0.06 -2.42 -0.38 0.00 0.00 0.00 0.00 53.44 50.70 3h8c n ALA 214 Cb 0.29 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3h8c n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h8c s ALA 215 N -1.80 3.62 0.15 0.00 0.00 -1.26 -3.68 121.76 118.78 3h8c s ALA 215 Ca 0.25 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 3h8c s ALA 215 Cb 0.43 -2.48 0.06 0.00 0.00 0.00 0.00 23.12 21.14 3h8c s ALA 215 CO -0.01 0.30 0.86 -1.54 0.00 0.00 0.00 175.76 175.36 3h8c s SER 216 N -0.43 -0.28 -0.02 0.00 1.04 -0.47 -0.93 113.70 112.61 3h8c s SER 216 Ca 0.24 -0.31 -0.25 0.00 0.48 0.00 0.00 55.95 56.11 3h8c s SER 216 Cb -0.16 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.54 3h8c s SER 216 CO 0.12 -0.94 0.55 -0.72 0.98 0.00 0.00 173.24 173.24 3h8c s TYR 217 N -3.43 -0.49 0.14 5.02 1.13 -0.85 -1.71 117.35 117.17 3h8c s TYR 217 Ca 0.09 0.77 -0.30 0.00 -1.41 0.00 0.00 57.07 56.22 3h8c s TYR 217 Cb -0.02 0.32 -0.07 0.00 -1.10 0.00 0.00 41.96 41.09 3h8c s TYR 217 CO -0.01 -0.57 0.98 -1.25 -2.51 0.00 0.00 175.55 172.20 3h8c s PRO 218 N -1.51 4.70 -0.36 -3.49 0.04 -1.26 -0.10 135.00 133.02 3h8c s PRO 218 Ca -0.10 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 3h8c s PRO 218 Cb -0.01 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3h8c s PRO 218 CO 0.06 0.23 0.59 0.95 0.04 0.00 0.00 177.00 178.87 3h8c s THR 219 N -0.20 4.94 -2.78 1.26 -4.23 0.63 -4.90 115.64 110.36 3h8c s THR 219 Ca 0.47 0.48 0.26 0.00 -1.18 0.00 0.00 61.69 61.71 3h8c s THR 219 Cb -0.25 -4.04 0.35 0.00 1.34 0.00 0.00 72.50 69.90 3h8c s THR 219 CO 0.31 -0.29 1.47 1.33 -0.54 0.00 0.00 174.62 176.91