#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h89 n PRO 2 N 0.00 -0.92 0.05 0.00 -0.02 -1.26 -4.91 135.00 127.94 3h89 n PRO 2 Ca 0.00 -0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.17 3h89 n PRO 2 Cb 0.00 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3h89 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h89 h ARG 3 N -1.82 0.00 -3.83 -0.52 2.47 -2.02 -3.46 114.38 105.19 3h89 h ARG 3 Ca -0.48 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.07 3h89 h ARG 3 Cb 1.32 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.42 3h89 h ARG 3 CO 0.36 0.90 -0.65 -1.12 0.56 0.00 0.00 179.97 180.03 3h89 s SER 4 N -6.59 0.16 -0.11 7.04 0.01 -1.26 -4.34 113.70 108.60 3h89 s SER 4 Ca -0.00 -0.37 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 3h89 s SER 4 Cb 0.10 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.48 3h89 s SER 4 CO 0.82 -0.28 0.34 -0.69 0.41 0.00 0.00 173.24 173.83 3h89 s VAL 5 N -1.28 0.01 -0.30 3.43 1.01 0.80 -4.95 120.40 119.12 3h89 s VAL 5 Ca -0.14 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3h89 s VAL 5 Cb -0.08 -0.50 0.18 0.00 0.00 0.00 0.00 36.38 35.98 3h89 s VAL 5 CO -0.00 -0.03 0.49 -0.62 0.00 0.00 0.00 175.10 174.94 3h89 s ASP 6 N -0.00 -0.51 0.01 3.32 -1.08 -1.26 -0.23 116.67 116.91 3h89 s ASP 6 Ca -0.02 -0.23 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 3h89 s ASP 6 Cb -0.03 1.51 0.40 0.00 -1.46 0.00 0.00 42.92 43.34 3h89 s ASP 6 CO 0.01 -0.32 1.30 0.79 0.52 0.00 0.00 175.17 177.47 3h89 n TRP 7 N 5.27 0.03 0.18 -5.34 7.02 -0.35 -1.78 117.44 122.47 3h89 n TRP 7 Ca 0.04 0.01 0.02 0.00 -1.02 0.00 0.00 57.50 56.55 3h89 n TRP 7 Cb 0.52 -0.52 0.33 0.00 -2.42 0.00 0.00 31.31 29.22 3h89 n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h89 h ARG 8 N 0.00 0.00 -0.12 -0.99 3.08 -1.95 -2.25 114.38 112.15 3h89 h ARG 8 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3h89 h ARG 8 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3h89 h ARG 8 CO 0.00 0.41 -0.03 0.93 -1.07 0.00 0.00 179.97 180.21 3h89 h GLU 9 N 0.00 0.17 -0.47 0.04 5.08 -1.75 -2.76 114.58 114.89 3h89 h GLU 9 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h89 h GLU 9 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3h89 h GLU 9 CO 0.05 0.22 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3h89 n LYS 10 N -4.40 2.52 -1.93 2.33 4.76 -0.93 -4.98 118.16 115.52 3h89 n LYS 10 Ca -0.01 -2.33 0.00 0.00 -2.87 0.00 0.00 58.31 53.10 3h89 n LYS 10 Cb 0.17 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3h89 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h89 n GLY 11 N 1.41 0.44 0.11 0.72 0.00 -1.04 -4.97 105.19 101.86 3h89 n GLY 11 Ca 0.19 -0.85 0.12 0.00 0.00 0.00 0.00 46.02 45.48 3h89 n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h89 h TYR 12 N 0.00 0.00 -3.65 1.61 -1.99 -1.66 -3.45 116.97 107.82 3h89 h TYR 12 Ca 0.00 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 60.05 3h89 h TYR 12 Cb 0.96 0.00 -0.20 0.00 2.00 0.00 0.00 36.73 39.49 3h89 h TYR 12 CO 0.00 0.00 -0.71 0.08 -0.00 0.00 0.00 178.16 177.53 3h89 s VAL 13 N -3.32 3.60 0.51 -2.88 1.01 -1.26 -3.79 120.40 114.28 3h89 s VAL 13 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3h89 s VAL 13 Cb 0.10 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3h89 s VAL 13 CO 0.77 0.58 0.75 0.42 0.00 0.00 0.00 175.10 177.63 3h89 s THR 14 N -0.60 3.51 0.93 3.92 -4.23 -1.26 -5.00 115.64 112.92 3h89 s THR 14 Ca 0.09 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 3h89 s THR 14 Cb -0.12 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.49 3h89 s THR 14 CO 0.02 -0.26 0.82 -2.65 -0.54 0.00 0.00 174.62 172.01 3h89 n PRO 15 N -2.28 -0.36 -1.89 3.99 -0.02 -1.26 -4.91 135.00 128.27 3h89 n PRO 15 Ca 0.04 -0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 3h89 n PRO 15 Cb 0.58 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3h89 n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h89 s VAL 16 N -2.51 2.25 0.49 -1.45 1.01 -1.26 -5.02 120.40 113.90 3h89 s VAL 16 Ca 0.63 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3h89 s VAL 16 Cb -0.22 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 3h89 s VAL 16 CO 0.62 0.05 0.21 -0.54 0.00 0.00 0.00 175.10 175.44 3h89 s LYS 17 N -2.12 2.22 -0.15 2.72 1.02 -1.26 -4.80 119.74 117.38 3h89 s LYS 17 Ca 0.54 -2.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 3h89 s LYS 17 Cb -0.44 -1.90 0.05 0.00 -0.52 0.00 0.00 37.83 35.03 3h89 s LYS 17 CO 0.58 -0.36 0.03 1.21 -0.92 0.00 0.00 175.35 175.89 3h89 s ASN 18 N -4.03 2.39 0.33 2.83 3.84 -1.26 -1.21 114.94 117.83 3h89 s ASN 18 Ca 0.29 -0.54 0.26 0.00 0.21 0.00 0.00 52.86 53.08 3h89 s ASN 18 Cb 0.01 -0.51 0.91 0.00 -0.55 0.00 0.00 41.25 41.11 3h89 s ASN 18 CO 0.17 -0.27 1.77 0.06 -2.79 0.00 0.00 177.10 176.04 3h89 h GLN 19 N 8.29 0.00 0.00 0.43 3.07 -1.60 -3.47 115.11 121.82 3h89 h GLN 19 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 3h89 h GLN 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 3h89 h GLN 19 CO 0.31 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.64 3h89 n GLY 20 N 0.57 -0.00 2.75 0.06 0.00 -1.26 -3.87 105.19 103.44 3h89 n GLY 20 Ca 0.03 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3h89 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h89 n GLN 21 N -0.56 2.57 -3.66 1.61 6.02 -1.26 -4.75 117.38 117.36 3h89 n GLN 21 Ca 0.00 -2.25 -0.07 0.00 -0.01 0.00 0.00 57.00 54.67 3h89 n GLN 21 Cb 0.00 -3.05 -0.08 0.00 1.02 0.00 0.00 30.24 28.13 3h89 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h89 n GLY 23 N 4.46 3.31 1.18 0.00 0.00 0.36 -4.39 105.19 110.11 3h89 n GLY 23 Ca -0.20 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.83 3h89 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h89 n SER 24 N 3.57 4.36 -0.16 1.61 3.41 -1.26 -3.11 113.62 122.04 3h89 n SER 24 Ca 0.52 -2.89 0.26 0.00 -0.26 0.00 0.00 58.87 56.51 3h89 n SER 24 Cb 0.32 -0.56 0.70 0.00 -0.26 0.00 0.00 64.21 64.40 3h89 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h89 h TRP 26 N 0.04 0.00 -0.05 0.00 5.08 -1.83 -1.60 115.95 117.58 3h89 h TRP 26 Ca 0.41 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 60.13 3h89 h TRP 26 Cb 1.56 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.73 3h89 h TRP 26 CO -0.00 0.31 -0.93 0.00 -1.28 0.00 0.00 178.44 176.54 3h89 h ALA 27 N 1.69 0.24 -0.00 0.11 0.00 -0.68 -2.39 119.26 118.21 3h89 h ALA 27 Ca -0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 3h89 h ALA 27 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h89 h ALA 27 CO 0.04 0.70 -0.61 0.74 0.00 0.00 0.00 179.25 180.13 3h89 h PHE 28 N 0.42 0.02 -0.19 0.00 -1.00 -1.26 -1.22 116.94 113.70 3h89 h PHE 28 Ca -0.09 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.55 3h89 h PHE 28 Cb 1.57 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.13 3h89 h PHE 28 CO 0.09 0.62 -0.38 1.03 -1.61 0.00 0.00 178.31 178.06 3h89 h SER 29 N 0.01 0.67 -0.21 2.17 0.87 -1.33 -2.33 113.55 113.39 3h89 h SER 29 Ca -0.01 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 59.98 3h89 h SER 29 Cb 1.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3h89 h SER 29 CO 0.08 1.09 0.04 0.00 -0.53 0.00 0.00 176.83 177.51 3h89 h ALA 30 N 0.60 0.28 -0.81 6.23 0.00 -1.31 -2.10 119.26 122.14 3h89 h ALA 30 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h89 h ALA 30 Cb 0.97 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3h89 h ALA 30 CO 0.08 -0.05 0.46 1.79 0.00 0.00 0.00 179.25 181.53 3h89 h THR 31 N 0.16 1.24 -0.63 0.00 1.35 -1.28 0.23 112.91 113.97 3h89 h THR 31 Ca 0.07 -0.57 0.04 0.00 -0.55 0.00 0.00 66.41 65.40 3h89 h THR 31 Cb 0.30 0.14 -0.05 0.00 -1.73 0.00 0.00 68.15 66.81 3h89 h THR 31 CO 0.00 0.26 0.37 1.23 -0.25 0.00 0.00 175.52 177.13 3h89 h GLY 32 N 1.13 0.92 0.97 5.82 0.00 -1.22 0.69 103.07 111.37 3h89 h GLY 32 Ca 0.29 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3h89 h GLY 32 CO -0.05 0.19 -0.05 0.00 0.00 0.00 0.00 176.54 176.63 3h89 h ALA 33 N 1.31 0.55 -0.24 3.60 0.00 -0.84 -2.39 119.26 121.26 3h89 h ALA 33 Ca 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3h89 h ALA 33 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h89 h ALA 33 CO -0.15 0.38 0.07 -0.07 0.00 0.00 0.00 179.25 179.48 3h89 h LEU 34 N 0.57 0.35 -1.66 0.00 3.38 -0.31 -0.52 115.31 117.12 3h89 h LEU 34 Ca 0.11 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3h89 h LEU 34 Cb 0.55 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3h89 h LEU 34 CO 0.03 0.47 0.37 -0.33 0.09 0.00 0.00 178.44 179.07 3h89 h GLU 35 N 0.22 0.38 0.04 1.13 5.08 0.42 0.27 114.58 122.12 3h89 h GLU 35 Ca 0.08 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 3h89 h GLU 35 Cb 0.24 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.43 3h89 h GLU 35 CO -0.00 0.25 -1.12 0.78 -1.00 0.00 0.00 179.01 177.92 3h89 h GLY 36 N 0.40 0.75 1.92 -3.84 0.00 -0.97 -2.49 103.07 98.84 3h89 h GLY 36 Ca 0.25 -1.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.01 3h89 h GLY 36 CO -0.07 1.24 -0.79 1.46 0.00 0.00 0.00 176.54 178.38 3h89 h GLN 37 N 0.35 0.08 -0.31 4.80 1.08 -0.32 -1.83 115.11 118.96 3h89 h GLN 37 Ca -0.15 -0.08 -0.16 0.00 -1.45 0.00 0.00 58.65 56.81 3h89 h GLN 37 Cb 1.78 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.22 3h89 h GLN 37 CO 0.22 0.83 -0.44 0.52 -0.95 0.00 0.00 178.83 179.00 3h89 h MET 38 N 0.05 0.78 -0.28 1.46 2.86 -0.57 -2.73 114.93 116.50 3h89 h MET 38 Ca -0.02 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 3h89 h MET 38 Cb 1.39 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 3h89 h MET 38 CO 0.11 1.06 0.13 0.35 1.06 0.00 0.00 176.91 179.62 3h89 h PHE 39 N 0.63 0.42 -0.88 -0.22 3.57 -1.32 0.13 116.94 119.27 3h89 h PHE 39 Ca 0.04 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 3h89 h PHE 39 Cb 1.01 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3h89 h PHE 39 CO 0.06 0.39 0.57 -0.09 -2.23 0.00 0.00 178.31 177.01 3h89 h ARG 40 N 0.32 0.82 0.11 1.11 2.43 -1.27 0.71 114.38 118.61 3h89 h ARG 40 Ca 0.10 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.07 3h89 h ARG 40 Cb 0.14 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3h89 h ARG 40 CO -0.01 0.54 -0.65 -0.22 -1.51 0.00 0.00 179.97 178.13 3h89 h LYS 41 N 0.85 0.25 0.00 0.20 3.64 -1.13 -3.40 116.57 116.99 3h89 h LYS 41 Ca 0.41 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h89 h LYS 41 Cb 0.45 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3h89 h LYS 41 CO -0.18 1.19 -1.46 0.25 -2.27 0.00 0.00 179.45 176.98 3h89 n THR 42 N -4.22 0.00 -1.00 1.00 -2.24 0.40 -4.98 114.28 103.23 3h89 n THR 42 Ca -0.13 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3h89 n THR 42 Cb 0.75 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3h89 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h89 n GLY 43 N 1.45 0.44 3.18 3.38 0.00 0.25 -5.01 105.19 108.88 3h89 n GLY 43 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3h89 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h89 s ARG 44 N -0.25 3.03 -0.45 1.61 0.52 -1.26 -5.03 118.95 117.13 3h89 s ARG 44 Ca 0.00 -0.85 -0.18 0.00 -0.52 0.00 0.00 55.73 54.18 3h89 s ARG 44 Cb 0.00 -2.43 0.04 0.00 0.52 0.00 0.00 34.95 33.08 3h89 s ARG 44 CO 0.00 0.01 0.48 -1.17 0.02 0.00 0.00 175.30 174.64 3h89 s LEU 45 N 0.75 4.97 -0.11 2.53 2.96 -1.26 -4.02 118.68 124.50 3h89 s LEU 45 Ca -0.09 -0.80 0.03 0.00 -0.22 0.00 0.00 54.13 53.06 3h89 s LEU 45 Cb -0.16 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.15 3h89 s LEU 45 CO -0.00 -0.67 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.51 3h89 s ILE 46 N 2.21 1.99 0.12 6.68 1.09 -1.26 -5.10 121.20 126.92 3h89 s ILE 46 Ca 0.12 -0.96 -0.31 0.00 -1.10 0.00 0.00 60.65 58.40 3h89 s ILE 46 Cb -0.18 -1.74 -0.08 0.00 -1.06 0.00 0.00 42.46 39.39 3h89 s ILE 46 CO 0.13 0.54 1.43 -0.55 -0.10 0.00 0.00 174.94 176.39 3h89 s SER 47 N 0.55 6.77 0.12 3.58 0.15 -1.26 -4.78 113.70 118.83 3h89 s SER 47 Ca -0.14 2.38 -0.01 0.00 0.70 0.00 0.00 55.95 58.88 3h89 s SER 47 Cb -0.17 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3h89 s SER 47 CO 0.04 -0.69 0.29 -0.76 1.20 0.00 0.00 173.24 173.32 3h89 s LEU 48 N 1.17 4.31 -0.26 3.45 1.43 -1.26 -0.05 118.68 127.48 3h89 s LEU 48 Ca 0.66 0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.81 3h89 s LEU 48 Cb -0.38 -3.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 3h89 s LEU 48 CO 0.30 0.08 1.38 -0.55 0.23 0.00 0.00 176.35 177.80 3h89 s SER 49 N -2.75 6.64 0.12 2.29 0.15 -0.42 -4.14 113.70 115.59 3h89 s SER 49 Ca 0.37 1.40 -0.03 0.00 0.70 0.00 0.00 55.95 58.39 3h89 s SER 49 Cb -0.12 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 61.50 3h89 s SER 49 CO 0.28 -1.08 1.26 -0.33 1.20 0.00 0.00 173.24 174.56 3h89 h GLU 50 N 9.50 0.30 -0.96 5.44 3.07 -1.89 -3.20 114.58 126.84 3h89 h GLU 50 Ca -0.28 -0.39 0.02 0.00 -0.50 0.00 0.00 59.36 58.21 3h89 h GLU 50 Cb 1.11 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 3h89 h GLU 50 CO 1.01 1.11 0.63 0.37 -1.40 0.00 0.00 179.01 180.74 3h89 h GLN 51 N 0.14 1.23 -0.80 2.33 5.75 -1.84 0.50 115.11 122.42 3h89 h GLN 51 Ca -0.09 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.39 3h89 h GLN 51 Cb 1.72 -0.28 -0.06 0.00 1.07 0.00 0.00 27.48 29.94 3h89 h GLN 51 CO 0.17 0.81 0.49 -0.97 -2.65 0.00 0.00 178.83 176.68 3h89 h ASN 52 N 1.26 0.76 -0.31 -0.69 -0.00 -1.79 -0.14 115.58 114.68 3h89 h ASN 52 Ca 0.36 0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 56.58 3h89 h ASN 52 Cb -0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.08 3h89 h ASN 52 CO -0.09 0.49 -0.21 -0.07 -0.00 0.00 0.00 177.43 177.55 3h89 h LEU 53 N 0.89 0.72 -0.61 0.34 3.38 -1.23 -1.92 115.31 116.89 3h89 h LEU 53 Ca 0.35 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h89 h LEU 53 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3h89 h LEU 53 CO -0.17 1.00 0.40 0.58 0.09 0.00 0.00 178.44 180.34 3h89 h VAL 54 N 0.44 1.14 0.00 1.22 2.07 -0.29 -2.20 116.25 118.63 3h89 h VAL 54 Ca 0.06 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 3h89 h VAL 54 Cb 0.76 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3h89 h VAL 54 CO 0.06 0.15 -0.82 0.44 0.02 0.00 0.00 177.57 177.41 3h89 h ASP 55 N 0.81 0.00 0.00 0.57 3.32 -1.06 -3.35 116.42 116.70 3h89 h ASP 55 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3h89 h ASP 55 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3h89 h ASP 55 CO -0.06 0.46 -0.66 0.00 -1.72 0.00 0.00 179.24 177.26 3h89 n SER 57 N -1.36 3.46 -0.26 0.00 3.41 -0.83 -4.29 113.62 113.74 3h89 n SER 57 Ca 0.01 -2.56 -0.06 0.00 -0.26 0.00 0.00 58.87 56.00 3h89 n SER 57 Cb 0.16 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3h89 n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h89 h GLY 58 N 4.08 1.11 2.00 5.00 0.00 -1.83 -2.25 103.07 111.17 3h89 h GLY 58 Ca 0.07 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3h89 h GLY 58 CO 0.32 0.51 -0.07 -2.55 0.00 0.00 0.00 176.54 174.75 3h89 h PRO 59 N 1.01 0.00 0.00 4.80 0.11 -1.86 -1.56 132.00 134.50 3h89 h PRO 59 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3h89 h PRO 59 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3h89 h PRO 59 CO -0.04 0.07 0.00 1.04 -0.21 0.00 0.00 178.00 178.87 3h89 n GLN 60 N -4.27 0.10 0.00 1.05 3.00 -0.99 -4.88 117.38 111.39 3h89 n GLN 60 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3h89 n GLN 60 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3h89 n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h89 n GLY 61 N 1.33 1.10 3.84 1.08 0.00 -0.59 -4.86 105.19 107.10 3h89 n GLY 61 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3h89 n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h89 s ASN 62 N -1.08 5.69 -0.32 1.61 0.01 -0.88 -4.88 114.94 115.09 3h89 s ASN 62 Ca 0.00 1.51 0.12 0.00 -0.71 0.00 0.00 52.86 53.78 3h89 s ASN 62 Cb 0.00 -2.45 0.46 0.00 0.41 0.00 0.00 41.25 39.68 3h89 s ASN 62 CO 0.00 -1.23 1.12 -0.62 -1.51 0.00 0.00 177.10 174.86 3h89 n GLU 63 N -2.98 2.73 0.00 -0.60 -0.58 0.82 -4.22 120.64 115.80 3h89 n GLU 63 Ca 0.07 -3.94 0.00 0.00 -0.42 0.00 0.00 57.16 52.87 3h89 n GLU 63 Cb 0.54 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3h89 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h89 n GLY 64 N -0.54 3.18 0.00 0.62 0.00 -1.25 -0.99 105.19 106.21 3h89 n GLY 64 Ca 0.28 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.37 3h89 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h89 n ASN 66 N -0.89 1.77 0.00 0.00 3.02 -0.16 -0.49 115.26 118.50 3h89 n ASN 66 Ca 0.15 -1.37 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3h89 n ASN 66 Cb 0.07 0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3h89 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h89 n GLY 67 N 1.43 3.48 0.00 7.41 0.00 -1.16 -4.95 105.19 111.40 3h89 n GLY 67 Ca 0.08 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3h89 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 68 N -1.80 -1.29 3.15 -0.02 0.00 -1.26 -0.13 105.19 103.84 3h89 n GLY 68 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 3h89 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h89 s LEU 69 N 0.00 2.24 0.26 0.99 1.43 -1.26 -4.82 118.68 117.52 3h89 s LEU 69 Ca 0.00 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3h89 s LEU 69 Cb 0.00 -0.53 0.35 0.00 0.03 0.00 0.00 46.19 46.04 3h89 s LEU 69 CO 0.00 -0.04 1.77 0.24 0.23 0.00 0.00 176.35 178.54 3h89 h MET 70 N 4.54 0.77 -0.21 1.70 2.86 -1.98 -2.52 114.93 120.09 3h89 h MET 70 Ca -0.40 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 56.99 3h89 h MET 70 Cb 1.19 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3h89 h MET 70 CO 0.42 0.78 -0.09 -0.44 1.06 0.00 0.00 176.91 178.64 3h89 h ASP 71 N 0.72 0.31 -0.10 1.22 3.32 -1.96 -1.54 116.42 118.39 3h89 h ASP 71 Ca 0.14 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3h89 h ASP 71 Cb 0.45 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3h89 h ASP 71 CO 0.02 0.44 -0.32 1.88 -1.72 0.00 0.00 179.24 179.54 3h89 h TYR 72 N 0.32 0.67 -0.49 4.55 -1.99 -1.79 -0.72 116.97 117.53 3h89 h TYR 72 Ca 0.07 -0.17 -0.07 0.00 2.00 0.00 0.00 58.73 60.55 3h89 h TYR 72 Cb 0.36 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 3h89 h TYR 72 CO 0.01 0.83 0.02 0.00 -0.00 0.00 0.00 178.16 179.03 3h89 h ALA 73 N 1.15 0.66 -0.47 3.88 0.00 -1.10 -0.26 119.26 123.12 3h89 h ALA 73 Ca 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3h89 h ALA 73 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3h89 h ALA 73 CO 0.07 0.44 0.12 0.74 0.00 0.00 0.00 179.25 180.62 3h89 h PHE 74 N 0.71 0.78 -0.85 0.00 0.04 -1.06 -1.65 116.94 114.91 3h89 h PHE 74 Ca 0.14 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.84 3h89 h PHE 74 Cb 0.48 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3h89 h PHE 74 CO 0.04 0.71 0.56 0.37 -0.60 0.00 0.00 178.31 179.39 3h89 h GLN 75 N 0.63 1.07 0.57 1.51 5.75 -0.89 -1.52 115.11 122.23 3h89 h GLN 75 Ca 0.15 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3h89 h GLN 75 Cb 0.32 -0.24 0.01 0.00 1.07 0.00 0.00 27.48 28.63 3h89 h GLN 75 CO 0.00 0.71 -0.27 -0.92 -2.65 0.00 0.00 178.83 175.69 3h89 h TYR 76 N 1.10 -0.71 -1.02 3.99 3.20 -0.54 0.24 116.97 123.22 3h89 h TYR 76 Ca 0.33 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.43 3h89 h TYR 76 Cb -0.04 0.24 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 3h89 h TYR 76 CO -0.00 -0.40 0.63 0.28 -1.64 0.00 0.00 178.16 177.03 3h89 h VAL 77 N -0.89 0.55 0.16 1.81 2.07 -0.91 0.84 116.25 119.89 3h89 h VAL 77 Ca -0.08 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3h89 h VAL 77 Cb 0.63 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3h89 h VAL 77 CO 0.13 0.10 -0.08 -0.61 0.02 0.00 0.00 177.57 177.13 3h89 h GLN 78 N 0.53 -0.21 -0.33 1.57 4.15 -0.94 -1.91 115.11 117.97 3h89 h GLN 78 Ca 0.62 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.99 3h89 h GLN 78 Cb 1.30 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 3h89 h GLN 78 CO -0.39 0.21 -0.05 -0.44 -1.93 0.00 0.00 178.83 176.22 3h89 h ASP 79 N -0.74 0.51 0.44 -0.69 3.32 0.69 -2.94 116.42 117.02 3h89 h ASP 79 Ca -0.02 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 3h89 h ASP 79 Cb 0.51 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3h89 h ASP 79 CO 0.04 0.62 -0.63 -1.13 -1.72 0.00 0.00 179.24 176.41 3h89 h ASN 80 N 0.51 0.20 0.00 6.45 -1.24 0.59 -3.47 115.58 118.62 3h89 h ASN 80 Ca 0.10 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3h89 h ASN 80 Cb 0.41 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.40 3h89 h ASN 80 CO 0.02 0.78 0.00 0.61 -1.29 0.00 0.00 177.43 177.55 3h89 n GLY 81 N 0.31 0.68 0.00 1.57 0.00 -0.76 -5.00 105.19 102.00 3h89 n GLY 81 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3h89 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 82 N -2.55 -0.48 3.46 -0.02 0.00 -0.98 -5.00 105.19 99.63 3h89 n GLY 82 Ca 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 3h89 n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h89 s LEU 83 N 0.00 -0.55 0.68 0.99 2.96 -1.09 -4.59 118.68 117.09 3h89 s LEU 83 Ca 0.00 1.22 -0.12 0.00 -0.22 0.00 0.00 54.13 55.01 3h89 s LEU 83 Cb 0.00 1.88 0.00 0.00 0.50 0.00 0.00 46.19 48.57 3h89 s LEU 83 CO 0.00 -0.22 1.06 -1.81 -1.32 0.00 0.00 176.35 174.06 3h89 s ASP 84 N 1.58 5.38 0.63 3.68 1.01 -1.26 -0.58 116.67 127.11 3h89 s ASP 84 Ca -0.10 1.67 -0.13 0.00 0.71 0.00 0.00 52.55 54.70 3h89 s ASP 84 Cb -0.07 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 3h89 s ASP 84 CO -0.16 -1.44 1.05 -0.94 0.21 0.00 0.00 175.17 173.88 3h89 s SER 85 N -3.59 5.78 0.28 0.27 1.04 -1.10 -1.30 113.70 115.09 3h89 s SER 85 Ca 0.59 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 58.68 3h89 s SER 85 Cb -0.15 -2.51 0.48 0.00 0.10 0.00 0.00 66.02 63.95 3h89 s SER 85 CO 0.52 -1.17 1.89 -0.08 0.98 0.00 0.00 173.24 175.38 3h89 h GLU 86 N -0.05 1.06 -0.29 4.02 4.57 -0.62 -1.21 114.58 122.07 3h89 h GLU 86 Ca -0.45 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 57.53 3h89 h GLU 86 Cb 1.21 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 3h89 h GLU 86 CO 0.58 0.70 -0.37 1.49 -1.18 0.00 0.00 179.01 180.23 3h89 h GLU 87 N 1.09 0.66 0.01 1.92 4.81 -1.93 -2.91 114.58 118.23 3h89 h GLU 87 Ca 0.43 -0.32 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 3h89 h GLU 87 Cb 0.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3h89 h GLU 87 CO -0.17 0.92 -1.01 0.66 -0.73 0.00 0.00 179.01 178.68 3h89 h SER 88 N 0.54 0.05 -2.34 1.04 4.64 -1.82 -3.38 113.55 112.28 3h89 h SER 88 Ca 0.05 -0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3h89 h SER 88 Cb 0.89 -0.02 -0.41 0.00 -0.31 0.00 0.00 62.40 62.56 3h89 h SER 88 CO 0.08 1.02 -0.79 0.00 -0.87 0.00 0.00 176.83 176.27 3h89 n TYR 89 N -3.39 1.80 -1.54 4.77 4.19 -0.50 -4.99 117.16 117.50 3h89 n TYR 89 Ca -0.01 -3.90 -0.40 0.00 3.31 0.00 0.00 57.90 56.90 3h89 n TYR 89 Cb 0.93 -0.40 0.03 0.00 0.49 0.00 0.00 39.34 40.39 3h89 n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3h89 n PRO 90 N 1.50 0.85 -2.55 2.98 -0.02 -1.10 -4.44 135.00 132.22 3h89 n PRO 90 Ca 0.26 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3h89 n PRO 90 Cb 0.44 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 3h89 n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h89 s TYR 91 N -1.50 3.53 -0.64 6.00 5.04 -1.26 -4.69 117.35 123.83 3h89 s TYR 91 Ca 0.67 1.47 0.05 0.00 -2.44 0.00 0.00 57.07 56.83 3h89 s TYR 91 Cb -0.51 -3.29 0.03 0.00 0.35 0.00 0.00 41.96 38.55 3h89 s TYR 91 CO 0.54 -0.73 0.62 0.39 -1.34 0.00 0.00 175.55 175.03 3h89 n GLU 92 N 3.95 0.44 -1.54 4.97 1.02 -1.26 -5.00 120.64 123.22 3h89 n GLU 92 Ca 0.08 -0.73 -0.19 0.00 -0.02 0.00 0.00 57.16 56.30 3h89 n GLU 92 Cb 0.48 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 3h89 n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h89 n ALA 93 N 0.14 -0.29 -3.38 0.62 0.00 -1.26 -4.93 120.51 111.42 3h89 n ALA 93 Ca 0.03 0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 3h89 n ALA 93 Cb 0.13 -1.92 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 3h89 n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h89 s THR 94 N -2.58 0.02 0.01 0.00 -1.32 -1.26 -4.57 115.64 105.94 3h89 s THR 94 Ca 0.00 -0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 3h89 s THR 94 Cb 0.00 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3h89 s THR 94 CO 0.00 -0.09 1.07 -0.70 -2.21 0.00 0.00 174.62 172.69 3h89 s GLU 95 N -0.65 4.50 0.33 7.08 2.12 -1.26 -4.97 118.70 125.85 3h89 s GLU 95 Ca -0.07 1.55 0.03 0.00 0.36 0.00 0.00 54.97 56.84 3h89 s GLU 95 Cb -0.03 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3h89 s GLU 95 CO 0.04 -0.16 0.08 -1.21 -0.54 0.00 0.00 175.26 173.48 3h89 s GLU 96 N 1.14 1.68 0.56 4.30 0.41 -1.26 -5.08 118.70 120.46 3h89 s GLU 96 Ca 0.54 -1.95 -0.21 0.00 -0.41 0.00 0.00 54.97 52.94 3h89 s GLU 96 Cb -0.24 -0.71 -0.04 0.00 -1.78 0.00 0.00 34.13 31.36 3h89 s GLU 96 CO 0.28 -0.27 1.30 -1.54 -0.49 0.00 0.00 175.26 174.53 3h89 s SER 97 N -3.49 5.22 0.13 -0.19 1.04 -1.26 -4.52 113.70 110.63 3h89 s SER 97 Ca 0.34 2.62 -0.31 0.00 0.48 0.00 0.00 55.95 59.08 3h89 s SER 97 Cb 0.07 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 3h89 s SER 97 CO 0.15 -1.59 1.66 0.00 0.98 0.00 0.00 173.24 174.44 3h89 n LYS 99 N 4.78 1.20 -1.68 0.00 5.02 -1.26 -5.04 118.16 121.17 3h89 n LYS 99 Ca 0.15 -2.92 -0.45 0.00 -2.02 0.00 0.00 58.31 53.08 3h89 n LYS 99 Cb 0.39 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3h89 n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h89 n TYR 100 N -0.78 2.27 -3.85 2.13 9.36 -1.26 -4.98 117.16 120.05 3h89 n TYR 100 Ca 0.16 0.37 -0.29 0.00 3.32 0.00 0.00 57.90 61.45 3h89 n TYR 100 Cb 0.78 -2.50 -0.16 0.00 -0.63 0.00 0.00 39.34 36.84 3h89 n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3h89 s ASN 101 N 0.48 3.57 0.48 2.98 3.84 -1.26 -5.00 114.94 120.02 3h89 s ASN 101 Ca 0.70 -1.13 0.23 0.00 0.21 0.00 0.00 52.86 52.88 3h89 s ASN 101 Cb -0.64 -0.96 1.26 0.00 -0.55 0.00 0.00 41.25 40.37 3h89 s ASN 101 CO 0.46 -0.28 1.67 1.55 -2.79 0.00 0.00 177.10 177.71 3h89 h PRO 102 N 8.06 0.00 0.00 0.43 0.13 -1.98 -0.22 132.00 138.41 3h89 h PRO 102 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 3h89 h PRO 102 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3h89 h PRO 102 CO 0.39 0.00 -0.13 -0.22 -0.23 0.00 0.00 178.00 177.81 3h89 h LYS 103 N 0.00 0.00 -0.37 0.86 3.64 -2.01 -2.90 116.57 115.78 3h89 h LYS 103 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h89 h LYS 103 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3h89 h LYS 103 CO 0.00 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 177.97 3h89 n TYR 104 N -3.36 0.59 -2.14 1.91 4.01 -0.10 -5.00 117.16 113.07 3h89 n TYR 104 Ca -0.00 -0.55 -0.41 0.00 -0.16 0.00 0.00 57.90 56.78 3h89 n TYR 104 Cb 0.33 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 3h89 n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h89 s SER 105 N -1.11 6.81 0.00 7.72 0.15 -1.10 -2.69 113.70 123.48 3h89 s SER 105 Ca 0.28 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.50 3h89 s SER 105 Cb 0.16 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3h89 s SER 105 CO 0.16 -0.55 0.37 1.33 1.20 0.00 0.00 173.24 175.75 3h89 n VAL 106 N 1.81 0.13 -3.99 4.45 0.24 0.25 -4.91 118.33 116.31 3h89 n VAL 106 Ca 0.04 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 3h89 n VAL 106 Cb 0.42 1.33 -0.07 0.00 -1.47 0.00 0.00 33.84 34.04 3h89 n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h89 s ALA 107 N -0.13 0.14 0.00 2.33 0.00 -1.19 -5.01 121.76 117.89 3h89 s ALA 107 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 3h89 s ALA 107 Cb 0.00 0.85 0.10 0.00 0.00 0.00 0.00 23.12 24.07 3h89 s ALA 107 CO 0.00 -0.62 1.04 1.21 0.00 0.00 0.00 175.76 177.39 3h89 s ASN 108 N -2.98 -0.22 0.06 0.00 3.04 -1.26 -2.66 114.94 110.93 3h89 s ASN 108 Ca 0.18 -0.13 -0.15 0.00 0.04 0.00 0.00 52.86 52.80 3h89 s ASN 108 Cb 0.04 0.33 0.02 0.00 -1.54 0.00 0.00 41.25 40.10 3h89 s ASN 108 CO -0.00 -0.57 0.34 1.51 -3.04 0.00 0.00 177.10 175.33 3h89 s ASP 109 N -2.63 -0.16 -0.40 -4.21 1.47 -1.26 -4.51 116.67 104.97 3h89 s ASP 109 Ca 0.09 -0.22 0.05 0.00 1.18 0.00 0.00 52.55 53.65 3h89 s ASP 109 Cb -0.00 0.39 0.46 0.00 -0.34 0.00 0.00 42.92 43.43 3h89 s ASP 109 CO -0.04 -0.68 1.46 1.07 0.68 0.00 0.00 175.17 177.66 3h89 n THR 110 N 0.35 2.85 0.00 2.11 5.66 0.18 -4.22 114.28 121.22 3h89 n THR 110 Ca -0.18 -3.73 0.00 0.00 -3.05 0.00 0.00 64.05 57.10 3h89 n THR 110 Cb 0.61 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 3h89 n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h89 n GLY 111 N -0.81 0.61 3.51 1.09 0.00 -1.25 -4.87 105.19 103.47 3h89 n GLY 111 Ca 0.49 -2.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 3h89 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h89 s PHE 112 N -0.77 -0.46 -0.10 1.61 -0.71 -1.26 -1.77 117.98 114.52 3h89 s PHE 112 Ca 0.00 0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.11 3h89 s PHE 112 Cb 0.00 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 3h89 s PHE 112 CO 0.00 -0.93 -0.20 0.08 -1.34 0.00 0.00 175.22 172.83 3h89 s VAL 113 N -3.79 1.79 -0.29 -2.49 1.01 -0.14 -4.90 120.40 111.60 3h89 s VAL 113 Ca 0.03 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3h89 s VAL 113 Cb -0.02 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3h89 s VAL 113 CO -0.09 0.50 0.28 -1.81 0.00 0.00 0.00 175.10 173.98 3h89 s ASP 114 N 0.57 6.12 0.38 3.32 1.01 -1.26 -2.22 116.67 124.60 3h89 s ASP 114 Ca -0.14 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 52.91 3h89 s ASP 114 Cb -0.17 -2.16 -0.09 0.00 1.01 0.00 0.00 42.92 41.51 3h89 s ASP 114 CO 0.05 -0.14 1.06 -0.63 0.21 0.00 0.00 175.17 175.72 3h89 s ILE 115 N 1.89 3.67 0.40 0.77 1.09 -0.35 -4.99 121.20 123.68 3h89 s ILE 115 Ca 0.10 1.35 -0.27 0.00 -1.10 0.00 0.00 60.65 60.73 3h89 s ILE 115 Cb -0.16 -3.73 -0.10 0.00 -1.06 0.00 0.00 42.46 37.41 3h89 s ILE 115 CO 0.11 0.07 1.38 -2.65 -0.10 0.00 0.00 174.94 173.75 3h89 n PRO 116 N 0.15 2.26 -0.57 2.79 -0.02 -1.26 -4.60 135.00 133.76 3h89 n PRO 116 Ca 0.04 0.80 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 3h89 n PRO 116 Cb 0.49 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3h89 n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h89 n LYS 117 N 0.18 1.60 -3.85 -0.52 5.02 -1.26 -4.58 118.16 114.75 3h89 n LYS 117 Ca 0.04 -1.23 -0.12 0.00 -2.02 0.00 0.00 58.31 54.98 3h89 n LYS 117 Cb 0.39 -2.35 -0.14 0.00 -0.02 0.00 0.00 35.03 32.92 3h89 n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h89 s GLN 118 N 3.78 0.03 0.50 1.97 1.11 -1.25 -4.84 119.66 120.95 3h89 s GLN 118 Ca 0.30 0.05 0.18 0.00 0.01 0.00 0.00 55.36 55.90 3h89 s GLN 118 Cb 0.08 -0.00 1.25 0.00 -1.01 0.00 0.00 33.01 33.32 3h89 s GLN 118 CO -0.03 -0.02 2.09 0.93 0.01 0.00 0.00 175.29 178.28 3h89 h GLU 119 N 6.19 0.00 -0.59 2.91 5.08 -1.88 -1.49 114.58 124.81 3h89 h GLU 119 Ca -0.26 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 3h89 h GLU 119 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3h89 h GLU 119 CO 0.49 0.09 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.37 3h89 h LYS 120 N 0.00 1.03 -0.06 2.33 3.11 -1.95 -0.30 116.57 120.73 3h89 h LYS 120 Ca -0.00 -0.32 -0.17 0.00 -2.81 0.00 0.00 60.65 57.34 3h89 h LYS 120 Cb 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 3h89 h LYS 120 CO 0.01 1.01 -0.71 0.00 -2.81 0.00 0.00 179.45 176.95 3h89 h ALA 121 N 1.04 0.68 -0.27 5.00 0.00 -1.63 -2.65 119.26 121.42 3h89 h ALA 121 Ca 0.17 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3h89 h ALA 121 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h89 h ALA 121 CO 0.03 0.78 -0.23 1.25 0.00 0.00 0.00 179.25 181.09 3h89 h LEU 122 N 0.20 0.51 -0.17 0.00 5.85 -0.95 -1.85 115.31 118.90 3h89 h LEU 122 Ca -0.02 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3h89 h LEU 122 Cb 1.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3h89 h LEU 122 CO 0.11 0.74 0.04 -0.03 -0.34 0.00 0.00 178.44 178.96 3h89 h MET 123 N 0.45 0.27 -0.62 1.25 4.05 -0.88 -0.48 114.93 118.98 3h89 h MET 123 Ca 0.07 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3h89 h MET 123 Cb 0.64 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3h89 h MET 123 CO 0.05 0.42 0.35 0.87 0.23 0.00 0.00 176.91 178.82 3h89 h LYS 124 N 0.08 0.86 -0.36 0.39 1.57 -1.33 -1.73 116.57 116.06 3h89 h LYS 124 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3h89 h LYS 124 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3h89 h LYS 124 CO 0.00 0.65 0.23 0.00 -0.57 0.00 0.00 179.45 179.76 3h89 h ALA 125 N 1.17 0.45 -0.56 3.86 0.00 -1.18 -0.91 119.26 122.09 3h89 h ALA 125 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h89 h ALA 125 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h89 h ALA 125 CO -0.04 -0.07 0.30 0.28 0.00 0.00 0.00 179.25 179.72 3h89 h VAL 126 N 0.47 1.17 0.00 0.00 2.07 -0.82 0.20 116.25 119.35 3h89 h VAL 126 Ca 0.13 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3h89 h VAL 126 Cb -0.03 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3h89 h VAL 126 CO -0.03 0.19 -0.61 0.00 0.02 0.00 0.00 177.57 177.15 3h89 h ALA 127 N 1.56 0.70 0.00 1.67 0.00 -0.77 -3.25 119.26 119.17 3h89 h ALA 127 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3h89 h ALA 127 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3h89 h ALA 127 CO -0.03 0.76 -1.13 0.25 0.00 0.00 0.00 179.25 179.10 3h89 n THR 128 N -3.39 0.00 -0.10 0.00 -2.24 -0.40 -4.77 114.28 103.38 3h89 n THR 128 Ca 0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 3h89 n THR 128 Cb 0.72 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 3h89 n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h89 n VAL 129 N -1.65 1.13 0.00 2.28 0.31 0.67 -5.07 118.33 116.00 3h89 n VAL 129 Ca -0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3h89 n VAL 129 Cb 0.24 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3h89 n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h89 n GLY 130 N 2.07 0.64 3.63 2.92 0.00 -1.23 -4.91 105.19 108.31 3h89 n GLY 130 Ca -0.38 -2.12 -0.46 0.00 0.00 0.00 0.00 46.02 43.07 3h89 n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h89 n PRO 131 N 0.00 1.61 -5.27 1.61 -0.02 -1.26 -4.53 135.00 127.15 3h89 n PRO 131 Ca 0.00 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3h89 n PRO 131 Cb 0.00 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 3h89 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h89 s ILE 132 N -0.47 2.13 0.09 4.25 -1.09 -0.48 -4.77 121.20 120.85 3h89 s ILE 132 Ca 0.66 -1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 57.72 3h89 s ILE 132 Cb -0.71 -1.75 -0.06 0.00 -1.58 0.00 0.00 42.46 38.36 3h89 s ILE 132 CO 0.54 0.58 0.91 -0.44 -1.23 0.00 0.00 174.94 175.31 3h89 s SER 133 N -0.50 7.42 0.06 3.58 0.01 -0.06 -0.99 113.70 123.22 3h89 s SER 133 Ca 0.06 1.70 -0.09 0.00 1.31 0.00 0.00 55.95 58.93 3h89 s SER 133 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3h89 s SER 133 CO 0.00 -0.06 0.19 0.68 0.41 0.00 0.00 173.24 174.46 3h89 s VAL 134 N 0.06 0.12 -0.07 3.43 -7.23 -0.89 -0.71 120.40 115.11 3h89 s VAL 134 Ca 0.45 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3h89 s VAL 134 Cb -0.22 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 3h89 s VAL 134 CO 0.28 -0.57 -0.06 0.00 -0.31 0.00 0.00 175.10 174.44 3h89 s ALA 135 N -3.10 3.02 0.15 1.32 0.00 -1.24 0.01 121.76 121.92 3h89 s ALA 135 Ca -0.01 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.15 3h89 s ALA 135 Cb 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3h89 s ALA 135 CO -0.07 0.57 -0.17 0.42 0.00 0.00 0.00 175.76 176.51 3h89 s ILE 136 N -0.80 1.66 -0.65 0.00 -1.09 0.27 -4.16 121.20 116.42 3h89 s ILE 136 Ca 0.12 -1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 56.45 3h89 s ILE 136 Cb -0.11 -1.76 0.08 0.00 -1.58 0.00 0.00 42.46 39.09 3h89 s ILE 136 CO 0.02 -0.36 0.90 -0.62 -1.23 0.00 0.00 174.94 173.64 3h89 s ASP 137 N -2.64 6.20 -0.24 3.58 2.15 -0.88 -0.73 116.67 124.11 3h89 s ASP 137 Ca 0.14 -1.16 0.14 0.00 0.43 0.00 0.00 52.55 52.10 3h89 s ASP 137 Cb -0.05 -2.39 0.62 0.00 -0.30 0.00 0.00 42.92 40.81 3h89 s ASP 137 CO 0.05 -1.34 1.57 0.00 -0.17 0.00 0.00 175.17 175.29 3h89 n ALA 138 N 7.28 3.66 -0.35 3.66 0.00 -1.26 -4.77 120.51 128.72 3h89 n ALA 138 Ca -0.04 -2.37 -0.00 0.00 0.00 0.00 0.00 53.44 51.03 3h89 n ALA 138 Cb 0.45 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 3h89 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h89 n GLY 139 N -0.33 1.91 3.09 0.00 0.00 -1.26 -4.76 105.19 103.83 3h89 n GLY 139 Ca 0.28 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3h89 n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h89 s HIS 140 N 0.59 0.07 0.28 1.61 3.76 -1.26 -5.03 115.29 115.31 3h89 s HIS 140 Ca 0.00 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 3h89 s HIS 140 Cb 0.00 -0.07 0.59 0.00 1.11 0.00 0.00 32.58 34.21 3h89 s HIS 140 CO 0.00 -0.27 1.77 0.93 -0.85 0.00 0.00 174.74 176.32 3h89 h GLU 141 N 4.34 0.67 -0.83 1.40 5.08 -2.00 -1.98 114.58 121.26 3h89 h GLU 141 Ca -0.31 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.07 3h89 h GLU 141 Cb 1.20 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3h89 h GLU 141 CO 0.41 0.44 0.51 0.66 -1.00 0.00 0.00 179.01 180.02 3h89 h SER 142 N 0.69 0.79 -0.39 1.42 4.64 -1.95 0.99 113.55 119.72 3h89 h SER 142 Ca 0.50 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.79 3h89 h SER 142 Cb 0.71 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3h89 h SER 142 CO -0.36 0.50 0.05 0.15 -0.87 0.00 0.00 176.83 176.30 3h89 h PHE 143 N 0.92 0.70 -0.31 4.77 3.57 -1.68 -1.42 116.94 123.48 3h89 h PHE 143 Ca 0.36 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 3h89 h PHE 143 Cb 0.18 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3h89 h PHE 143 CO -0.04 0.70 -0.07 1.25 -2.23 0.00 0.00 178.31 177.92 3h89 h LEU 144 N 0.50 0.48 -1.52 0.59 5.85 -1.19 -2.64 115.31 117.37 3h89 h LEU 144 Ca 0.12 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h89 h LEU 144 Cb 0.38 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3h89 h LEU 144 CO 0.01 0.60 0.00 0.49 -0.34 0.00 0.00 178.44 179.20 3h89 n PHE 145 N -4.24 0.20 -1.60 1.25 3.72 0.28 -4.92 117.46 112.15 3h89 n PHE 145 Ca 0.01 -0.10 -0.48 0.00 -0.05 0.00 0.00 57.45 56.83 3h89 n PHE 145 Cb 0.29 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 3h89 n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h89 n TYR 146 N 0.76 1.50 0.02 1.38 9.36 -0.55 -4.91 117.16 124.72 3h89 n TYR 146 Ca 0.17 0.62 0.00 0.00 3.32 0.00 0.00 57.90 62.01 3h89 n TYR 146 Cb 0.45 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 3h89 n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h89 n LYS 147 N 1.88 0.00 -3.86 2.98 5.02 -1.26 -2.07 118.16 120.84 3h89 n LYS 147 Ca 0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3h89 n LYS 147 Cb 0.26 -0.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.82 3h89 n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h89 s GLU 148 N -2.00 1.48 0.57 1.97 4.04 -1.26 -2.84 118.70 120.67 3h89 s GLU 148 Ca 0.00 -1.04 0.00 0.00 0.04 0.00 0.00 54.97 53.97 3h89 s GLU 148 Cb 0.00 0.51 0.00 0.00 0.02 0.00 0.00 34.13 34.66 3h89 s GLU 148 CO 0.00 -0.63 0.00 0.41 -1.84 0.00 0.00 175.26 173.20 3h89 n GLY 149 N -0.36 -2.09 3.63 -3.83 0.00 -1.26 -4.83 105.19 96.45 3h89 n GLY 149 Ca -0.06 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3h89 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h89 s ILE 150 N -0.13 4.84 -0.02 -0.61 1.09 -1.26 -4.01 121.20 121.11 3h89 s ILE 150 Ca 0.00 1.31 -0.30 0.00 -1.10 0.00 0.00 60.65 60.56 3h89 s ILE 150 Cb 0.00 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 3h89 s ILE 150 CO 0.00 -0.14 1.12 -0.47 -0.10 0.00 0.00 174.94 175.35 3h89 s TYR 151 N 2.84 3.42 -0.22 3.97 5.04 0.71 -4.88 117.35 128.22 3h89 s TYR 151 Ca 0.32 1.41 -0.04 0.00 -2.44 0.00 0.00 57.07 56.32 3h89 s TYR 151 Cb -0.15 -3.32 0.09 0.00 0.35 0.00 0.00 41.96 38.94 3h89 s TYR 151 CO 0.10 -0.85 0.20 0.12 -1.34 0.00 0.00 175.55 173.78 3h89 s PHE 152 N 1.57 -0.17 -0.49 4.97 5.36 -1.26 -2.09 117.98 125.86 3h89 s PHE 152 Ca 0.55 -0.00 -0.15 0.00 -0.96 0.00 0.00 56.93 56.36 3h89 s PHE 152 Cb -0.24 -0.47 0.09 0.00 -0.34 0.00 0.00 43.02 42.06 3h89 s PHE 152 CO 0.25 -0.65 0.42 -2.00 -1.46 0.00 0.00 175.22 171.79 3h89 s GLU 153 N 2.28 2.97 0.55 10.12 2.56 -1.26 -4.93 118.70 131.00 3h89 s GLU 153 Ca 0.07 -1.45 0.38 0.00 0.00 0.00 0.00 54.97 53.96 3h89 s GLU 153 Cb -0.16 -4.17 1.55 0.00 2.00 0.00 0.00 34.13 33.35 3h89 s GLU 153 CO -0.16 -1.11 1.74 -1.35 -0.56 0.00 0.00 175.26 173.81 3h89 h PRO 154 N 8.79 0.00 -0.64 4.30 0.11 -2.05 0.58 132.00 143.08 3h89 h PRO 154 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3h89 h PRO 154 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h89 h PRO 154 CO 0.92 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.24 3h89 n ASP 155 N -4.03 4.74 -4.78 -2.05 2.03 -1.26 -4.98 116.55 106.21 3h89 n ASP 155 Ca 0.28 -2.52 -0.34 0.00 0.52 0.00 0.00 54.79 52.73 3h89 n ASP 155 Cb 1.37 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 3h89 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h89 s SER 157 N -2.13 3.78 -0.25 0.00 0.15 -1.26 -4.74 113.70 109.24 3h89 s SER 157 Ca 0.69 -0.31 0.13 0.00 0.70 0.00 0.00 55.95 57.16 3h89 s SER 157 Cb -0.20 -0.69 0.81 0.00 -1.71 0.00 0.00 66.02 64.23 3h89 s SER 157 CO 0.29 0.32 1.76 -1.54 1.20 0.00 0.00 173.24 175.26 3h89 n SER 158 N 2.12 5.56 0.00 5.45 3.41 -1.26 -3.64 113.62 125.26 3h89 n SER 158 Ca -0.17 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 3h89 n SER 158 Cb 0.52 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3h89 n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h89 n GLU 159 N 0.45 0.77 -2.40 4.33 1.02 -1.26 -4.62 120.64 118.93 3h89 n GLU 159 Ca 0.30 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.07 3h89 n GLU 159 Cb 1.23 -0.87 0.02 0.00 -0.02 0.00 0.00 31.44 31.79 3h89 n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h89 n ASP 160 N -2.08 6.67 -4.77 1.62 5.75 -1.26 -5.04 116.55 117.44 3h89 n ASP 160 Ca 0.00 -3.75 -0.40 0.00 -0.01 0.00 0.00 54.79 50.63 3h89 n ASP 160 Cb 0.37 -0.95 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 3h89 n ASP 160 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3h89 s MET 161 N -4.02 3.95 0.00 0.11 -1.94 -1.26 -4.68 119.30 111.46 3h89 s MET 161 Ca 0.46 2.40 0.00 0.00 -1.71 0.00 0.00 55.69 56.84 3h89 s MET 161 Cb 0.32 -2.82 0.00 0.00 2.01 0.00 0.00 34.83 34.34 3h89 s MET 161 CO -0.24 -0.59 0.32 -0.40 -0.01 0.00 0.00 175.02 174.09 3h89 n ASP 162 N 0.19 0.39 -3.80 3.03 5.75 0.10 -4.87 116.55 117.32 3h89 n ASP 162 Ca 0.03 -1.10 -0.22 0.00 -0.01 0.00 0.00 54.79 53.48 3h89 n ASP 162 Cb 0.41 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.33 3h89 n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h89 s HIS 163 N -0.10 0.72 -0.10 2.11 5.04 -0.07 -4.93 115.29 117.95 3h89 s HIS 163 Ca 0.00 -0.20 -0.21 0.00 -1.54 0.00 0.00 55.06 53.11 3h89 s HIS 163 Cb 0.00 -0.79 -0.04 0.00 0.04 0.00 0.00 32.58 31.80 3h89 s HIS 163 CO 0.00 -0.31 0.62 0.20 -2.34 0.00 0.00 174.74 172.91 3h89 s GLY 164 N 1.73 2.47 0.00 1.59 0.00 -1.26 0.94 107.32 112.79 3h89 s GLY 164 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.71 3h89 s GLY 164 CO -0.04 1.06 0.00 3.33 0.00 0.00 0.00 173.10 177.45 3h89 n VAL 165 N 3.86 0.00 -4.37 1.40 0.24 0.10 -4.64 118.33 114.91 3h89 n VAL 165 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.04 3h89 n VAL 165 Cb 0.51 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 3h89 n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h89 s LEU 166 N 0.00 1.49 -0.35 1.34 2.96 -0.82 -2.10 118.68 121.19 3h89 s LEU 166 Ca 0.00 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.50 3h89 s LEU 166 Cb 0.00 -0.66 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 3h89 s LEU 166 CO 0.00 -0.01 0.54 -0.69 -1.32 0.00 0.00 176.35 174.87 3h89 s VAL 167 N 0.82 4.99 -1.12 1.68 1.01 -0.16 0.27 120.40 127.88 3h89 s VAL 167 Ca -0.12 0.36 0.21 0.00 0.00 0.00 0.00 61.98 62.43 3h89 s VAL 167 Cb -0.15 -3.99 -0.19 0.00 0.00 0.00 0.00 36.38 32.05 3h89 s VAL 167 CO 0.02 -0.25 0.96 1.33 0.00 0.00 0.00 175.10 177.16 3h89 n VAL 168 N 5.47 0.00 -2.91 2.92 0.24 -0.24 -1.38 118.33 122.42 3h89 n VAL 168 Ca -0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3h89 n VAL 168 Cb 0.49 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 3h89 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h89 n GLY 169 N 1.49 -0.56 3.57 7.63 0.00 -1.22 -1.21 105.19 114.88 3h89 n GLY 169 Ca 0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 3h89 n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h89 s TYR 170 N -3.13 -0.20 0.00 1.61 -0.85 0.68 -1.40 117.35 114.06 3h89 s TYR 170 Ca 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3h89 s TYR 170 Cb 0.00 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.86 3h89 s TYR 170 CO 0.00 -0.31 0.00 0.41 -1.52 0.00 0.00 175.55 174.13 3h89 n GLY 171 N -0.12 1.47 3.12 5.49 0.00 -0.70 -0.14 105.19 114.31 3h89 n GLY 171 Ca -0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3h89 n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h89 s PHE 172 N -2.43 0.31 0.25 1.61 -0.71 -1.26 -1.27 117.98 114.49 3h89 s PHE 172 Ca 0.00 -0.74 0.09 0.00 -1.04 0.00 0.00 56.93 55.24 3h89 s PHE 172 Cb 0.00 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3h89 s PHE 172 CO 0.00 -0.40 0.04 -1.21 -1.34 0.00 0.00 175.22 172.31 3h89 s GLU 173 N -3.34 2.44 -0.85 1.99 2.02 -1.26 -4.99 118.70 114.71 3h89 s GLU 173 Ca 0.01 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 53.70 3h89 s GLU 173 Cb 0.03 -2.26 0.32 0.00 0.10 0.00 0.00 34.13 32.31 3h89 s GLU 173 CO -0.08 0.38 1.36 -1.13 0.02 0.00 0.00 175.26 175.81 3h89 n SER 174 N -0.89 5.87 0.00 -0.19 3.41 -1.26 -4.91 113.62 115.65 3h89 n SER 174 Ca -0.07 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 3h89 n SER 174 Cb 0.58 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3h89 n SER 174 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3h89 n ASN 180 N 0.20 0.00 -4.91 4.04 6.94 -1.26 -5.29 115.26 114.97 3h89 n ASN 180 Ca 0.37 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.63 3h89 n ASN 180 Cb 0.33 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.71 3h89 n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h89 s LYS 181 N 0.00 3.56 0.12 -3.83 1.02 -1.26 -4.32 119.74 115.02 3h89 s LYS 181 Ca 0.00 -0.23 -0.18 0.00 0.02 0.00 0.00 55.97 55.58 3h89 s LYS 181 Cb 0.00 -2.84 0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3h89 s LYS 181 CO 0.00 0.42 0.44 1.52 -0.92 0.00 0.00 175.35 176.82 3h89 s TYR 182 N -1.79 -0.28 -0.16 3.18 -0.85 -0.40 -1.84 117.35 115.20 3h89 s TYR 182 Ca 0.40 0.04 -0.08 0.00 -0.52 0.00 0.00 57.07 56.91 3h89 s TYR 182 Cb -0.11 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 3h89 s TYR 182 CO 0.27 -0.71 0.12 -1.58 -1.52 0.00 0.00 175.55 172.14 3h89 s TRP 183 N -3.54 3.46 -0.38 -3.49 0.52 0.11 -1.72 118.94 113.90 3h89 s TRP 183 Ca 0.01 0.37 -0.24 0.00 0.02 0.00 0.00 56.10 56.26 3h89 s TRP 183 Cb 0.01 -2.06 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 3h89 s TRP 183 CO -0.10 0.45 0.86 -1.17 0.02 0.00 0.00 176.95 177.01 3h89 s LEU 184 N -0.21 4.07 -0.11 2.99 0.20 -0.49 -1.44 118.68 123.69 3h89 s LEU 184 Ca 0.10 0.42 0.02 0.00 0.69 0.00 0.00 54.13 55.36 3h89 s LEU 184 Cb -0.12 -3.14 -0.01 0.00 -0.43 0.00 0.00 46.19 42.49 3h89 s LEU 184 CO 0.01 -0.82 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.39 3h89 s VAL 185 N 3.32 2.69 -0.21 1.68 1.01 0.65 -1.08 120.40 128.46 3h89 s VAL 185 Ca 0.35 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3h89 s VAL 185 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3h89 s VAL 185 CO 0.18 0.54 0.31 -0.75 0.00 0.00 0.00 175.10 175.38 3h89 s LYS 186 N 0.28 4.15 0.58 2.72 2.20 0.14 -0.83 119.74 128.98 3h89 s LYS 186 Ca -0.12 0.04 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 3h89 s LYS 186 Cb -0.16 -3.52 0.09 0.00 -1.51 0.00 0.00 37.83 32.72 3h89 s LYS 186 CO 0.07 0.03 0.77 1.21 -0.36 0.00 0.00 175.35 177.06 3h89 s ASN 187 N 0.98 5.05 -0.30 1.43 3.84 -0.66 -1.94 114.94 123.34 3h89 s ASN 187 Ca 0.15 -0.89 0.13 0.00 0.21 0.00 0.00 52.86 52.46 3h89 s ASN 187 Cb -0.14 0.34 0.47 0.00 -0.55 0.00 0.00 41.25 41.37 3h89 s ASN 187 CO 0.06 -1.34 1.13 -1.54 -2.79 0.00 0.00 177.10 172.62 3h89 n SER 188 N -2.22 3.48 -0.72 -4.21 3.41 -1.26 -4.46 113.62 107.63 3h89 n SER 188 Ca 0.15 -3.08 0.04 0.00 -0.26 0.00 0.00 58.87 55.72 3h89 n SER 188 Cb 0.62 -0.42 0.20 0.00 -0.26 0.00 0.00 64.21 64.35 3h89 n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h89 n TRP 189 N -0.59 0.56 0.00 7.33 8.01 -1.17 -1.41 117.44 130.16 3h89 n TRP 189 Ca 0.28 -1.28 0.00 0.00 -1.31 0.00 0.00 57.50 55.19 3h89 n TRP 189 Cb 0.86 -0.32 0.00 0.00 -2.01 0.00 0.00 31.31 29.84 3h89 n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h89 n GLY 190 N -1.07 -2.13 0.41 6.99 0.00 -0.35 -4.45 105.19 104.59 3h89 n GLY 190 Ca 0.23 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.84 3h89 n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h89 n GLU 191 N -2.20 1.52 -0.16 1.61 0.28 -1.26 -3.59 120.64 116.84 3h89 n GLU 191 Ca 0.00 -0.80 0.11 0.00 -0.16 0.00 0.00 57.16 56.31 3h89 n GLU 191 Cb 0.00 -1.28 0.27 0.00 1.43 0.00 0.00 31.44 31.86 3h89 n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3h89 n GLU 192 N 0.08 2.21 -4.77 3.44 -0.58 -1.26 -3.70 120.64 116.06 3h89 n GLU 192 Ca 0.12 -1.83 -0.33 0.00 -0.42 0.00 0.00 57.16 54.70 3h89 n GLU 192 Cb 0.22 -1.46 -0.12 0.00 -0.57 0.00 0.00 31.44 29.51 3h89 n GLU 192 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3h89 s TRP 193 N -1.59 2.76 0.00 -0.32 -0.00 -1.24 -4.98 118.94 113.57 3h89 s TRP 193 Ca 0.36 -0.11 0.00 0.00 -0.00 0.00 0.00 56.10 56.35 3h89 s TRP 193 Cb 0.20 -1.63 0.00 0.00 -0.00 0.00 0.00 33.47 32.04 3h89 s TRP 193 CO 0.29 0.24 0.00 0.41 -0.00 0.00 0.00 176.95 177.89 3h89 n GLY 194 N 2.15 2.32 3.44 5.86 0.00 -0.88 -1.02 105.19 117.06 3h89 n GLY 194 Ca -0.17 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 3h89 n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h89 s MET 195 N 0.00 4.11 -1.73 1.61 -1.94 0.02 -4.46 119.30 116.91 3h89 s MET 195 Ca 0.00 -2.69 0.00 0.00 -1.71 0.00 0.00 55.69 51.29 3h89 s MET 195 Cb 0.00 -4.97 0.00 0.00 2.01 0.00 0.00 34.83 31.87 3h89 s MET 195 CO 0.00 -1.68 0.00 0.41 -0.01 0.00 0.00 175.02 173.74 3h89 n GLY 196 N 3.87 -0.07 0.00 -0.03 0.00 -1.24 -1.34 105.19 106.38 3h89 n GLY 196 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3h89 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 197 N -0.95 0.17 3.80 -0.02 0.00 -0.19 -4.46 105.19 103.53 3h89 n GLY 197 Ca -0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3h89 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h89 s TYR 198 N -2.00 2.98 -0.06 1.61 1.51 -0.45 -1.65 117.35 119.29 3h89 s TYR 198 Ca 0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 57.07 55.80 3h89 s TYR 198 Cb 0.00 -1.46 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3h89 s TYR 198 CO 0.00 0.46 0.22 0.54 -1.11 0.00 0.00 175.55 175.66 3h89 s VAL 199 N -2.21 0.02 -0.61 0.71 0.11 -0.01 -0.80 120.40 117.60 3h89 s VAL 199 Ca 0.34 -0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.10 3h89 s VAL 199 Cb -0.07 -0.37 0.15 0.00 -1.53 0.00 0.00 36.38 34.57 3h89 s VAL 199 CO 0.24 -0.09 0.53 -0.54 -3.33 0.00 0.00 175.10 171.91 3h89 s LYS 200 N -0.29 3.00 0.28 1.54 1.02 -1.26 -0.25 119.74 123.79 3h89 s LYS 200 Ca -0.04 -2.00 -0.29 0.00 0.02 0.00 0.00 55.97 53.67 3h89 s LYS 200 Cb -0.03 -4.20 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 3h89 s LYS 200 CO 0.01 -1.27 1.02 -1.64 -0.92 0.00 0.00 175.35 172.55 3h89 s MET 201 N 1.01 4.67 0.04 1.68 -1.94 -0.52 -0.21 119.30 124.03 3h89 s MET 201 Ca 0.09 1.61 -0.33 0.00 -1.71 0.00 0.00 55.69 55.36 3h89 s MET 201 Cb -0.23 -3.12 -0.11 0.00 2.01 0.00 0.00 34.83 33.38 3h89 s MET 201 CO -0.02 0.29 1.84 0.00 -0.01 0.00 0.00 175.02 177.12 3h89 n ALA 202 N 1.11 1.46 -2.70 3.03 0.00 -0.89 0.09 120.51 122.61 3h89 n ALA 202 Ca -0.01 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 3h89 n ALA 202 Cb 0.47 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 17.29 3h89 n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h89 s LYS 203 N 3.24 2.93 -1.20 0.00 2.20 -0.77 -4.48 119.74 121.65 3h89 s LYS 203 Ca 0.87 -0.49 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 3h89 s LYS 203 Cb -0.58 -2.76 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 3h89 s LYS 203 CO 0.44 0.67 0.77 -0.25 -0.36 0.00 0.00 175.35 176.62 3h89 n ASP 204 N 1.75 -5.53 -2.43 1.43 8.00 -1.26 -4.55 116.55 113.96 3h89 n ASP 204 Ca -0.16 -0.35 -0.27 0.00 0.71 0.00 0.00 54.79 54.71 3h89 n ASP 204 Cb 0.53 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 3h89 n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h89 n ARG 205 N -3.90 3.45 -3.04 -1.24 5.12 -1.26 -4.90 116.66 110.89 3h89 n ARG 205 Ca -0.04 -4.47 -0.12 0.00 -1.93 0.00 0.00 57.85 51.29 3h89 n ARG 205 Cb 0.57 -2.25 0.06 0.00 -1.16 0.00 0.00 32.46 29.68 3h89 n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h89 n ARG 206 N -0.50 -4.81 -3.68 5.56 1.74 -1.26 -3.60 116.66 110.11 3h89 n ARG 206 Ca 0.40 0.61 -0.28 0.00 -0.77 0.00 0.00 57.85 57.81 3h89 n ARG 206 Cb 0.69 -4.93 0.04 0.00 -1.02 0.00 0.00 32.46 27.24 3h89 n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h89 n ASN 207 N -2.50 -4.19 -4.66 0.55 5.15 -1.26 -4.82 115.26 103.53 3h89 n ASN 207 Ca -0.20 -0.96 -0.48 0.00 -0.60 0.00 0.00 54.58 52.35 3h89 n ASN 207 Cb 0.62 -3.62 -0.05 0.00 -0.53 0.00 0.00 39.78 36.20 3h89 n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h89 n HIS 208 N -4.13 2.13 -0.87 1.20 -0.00 -1.24 -0.63 115.22 111.68 3h89 n HIS 208 Ca -0.15 0.32 -0.00 0.00 -0.00 0.00 0.00 57.72 57.89 3h89 n HIS 208 Cb 0.62 -2.51 -0.00 0.00 -0.00 0.00 0.00 29.99 28.09 3h89 n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h89 n GLY 210 N 0.86 -0.04 0.36 0.00 0.00 0.19 -2.08 105.19 104.48 3h89 n GLY 210 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.06 3h89 n GLY 210 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h89 h ILE 211 N -1.62 0.86 -0.74 -0.61 5.03 -1.69 -1.97 117.51 116.77 3h89 h ILE 211 Ca -0.37 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 3h89 h ILE 211 Cb 1.24 0.39 0.00 0.00 -3.03 0.00 0.00 36.82 35.42 3h89 h ILE 211 CO 0.37 0.08 0.00 0.00 -0.68 0.00 0.00 178.15 177.92 3h89 n ALA 212 N -2.52 2.39 0.08 1.87 0.00 -1.26 -4.43 120.51 116.64 3h89 n ALA 212 Ca 0.12 -1.29 -0.09 0.00 0.00 0.00 0.00 53.44 52.18 3h89 n ALA 212 Cb 0.43 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 3h89 n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h89 h SER 213 N 4.30 0.17 -1.88 0.00 0.02 -1.66 -3.34 113.55 111.16 3h89 h SER 213 Ca 0.00 -0.16 -0.47 0.00 -0.84 0.00 0.00 61.79 60.32 3h89 h SER 213 Cb 0.99 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.07 3h89 h SER 213 CO 0.00 1.03 -1.15 0.00 -1.14 0.00 0.00 176.83 175.57 3h89 n ALA 214 N -2.43 2.44 -2.66 3.77 0.00 -1.26 -4.80 120.51 115.57 3h89 n ALA 214 Ca -0.03 -3.48 -0.38 0.00 0.00 0.00 0.00 53.44 49.56 3h89 n ALA 214 Cb 0.88 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.36 3h89 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h89 s ALA 215 N -2.62 3.76 0.22 0.00 0.00 -1.26 -3.66 121.76 118.20 3h89 s ALA 215 Ca 0.39 -0.39 -0.23 0.00 0.00 0.00 0.00 51.96 51.73 3h89 s ALA 215 Cb 0.36 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3h89 s ALA 215 CO -0.07 0.51 0.80 -1.54 0.00 0.00 0.00 175.76 175.46 3h89 s SER 216 N -0.95 -0.25 0.11 0.00 1.04 0.12 -1.21 113.70 112.55 3h89 s SER 216 Ca 0.20 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 3h89 s SER 216 Cb -0.15 0.63 0.03 0.00 0.10 0.00 0.00 66.02 66.63 3h89 s SER 216 CO 0.09 -1.15 0.36 -0.72 0.98 0.00 0.00 173.24 172.80 3h89 s TYR 217 N -3.67 -0.15 0.21 5.02 1.13 -0.94 -0.89 117.35 118.07 3h89 s TYR 217 Ca 0.11 -0.15 -0.05 0.00 -1.41 0.00 0.00 57.07 55.57 3h89 s TYR 217 Cb -0.04 0.19 -0.06 0.00 -1.10 0.00 0.00 41.96 40.96 3h89 s TYR 217 CO 0.04 -0.65 0.46 -1.25 -2.51 0.00 0.00 175.55 171.64 3h89 s PRO 218 N -3.60 3.65 -0.36 -3.49 0.04 -1.26 -0.96 135.00 129.01 3h89 s PRO 218 Ca 0.02 -0.01 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 3h89 s PRO 218 Cb 0.02 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3h89 s PRO 218 CO -0.10 0.36 0.19 0.95 0.04 0.00 0.00 177.00 178.44 3h89 s THR 219 N -1.83 4.54 -2.71 1.26 -4.23 -0.73 -4.91 115.64 107.04 3h89 s THR 219 Ca 0.43 -0.79 0.22 0.00 -1.18 0.00 0.00 61.69 60.36 3h89 s THR 219 Cb -0.11 -3.49 0.17 0.00 1.34 0.00 0.00 72.50 70.40 3h89 s THR 219 CO 0.26 -0.18 1.19 1.33 -0.54 0.00 0.00 174.62 176.68