#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 -0.84 0.06 0.00 -0.02 -1.26 -4.91 135.00 128.03 3h89 n PRO 2 Ca 0.00 -0.21 -0.09 0.00 -2.02 0.00 0.00 63.50 61.18 3h89 n PRO 2 Cb 0.00 -1.78 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.77 0.06 -3.93 -0.52 2.47 -2.02 -3.46 114.38 105.21 3h89 h ARG 3 Ca -0.48 -0.09 -0.18 0.00 -1.26 0.00 0.00 59.98 57.97 3h89 h ARG 3 Cb 1.31 0.04 -0.22 0.00 -1.65 0.00 0.00 29.97 29.45 3h89 h ARG 3 CO 0.36 0.97 -0.69 -1.12 0.56 0.00 0.00 179.97 180.05 3h89 s SER 4 N -6.71 0.20 -0.11 7.04 0.01 -1.26 -4.32 113.70 108.54 3h89 s SER 4 Ca -0.01 -0.42 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 3h89 s SER 4 Cb 0.09 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.45 3h89 s SER 4 CO 0.83 -0.27 0.33 -0.69 0.41 0.00 0.00 173.24 173.85 3h89 s VAL 5 N -1.28 0.01 -0.32 3.43 1.01 0.91 -4.95 120.40 119.21 3h89 s VAL 5 Ca -0.14 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3h89 s VAL 5 Cb -0.09 -0.48 0.18 0.00 0.00 0.00 0.00 36.38 35.99 3h89 s VAL 5 CO -0.01 -0.04 0.51 -0.62 0.00 0.00 0.00 175.10 174.95 3h89 s ASP 6 N -0.02 -0.59 0.06 3.32 -1.08 -1.26 -0.27 116.67 116.83 3h89 s ASP 6 Ca -0.02 -0.36 0.10 0.00 -0.52 0.00 0.00 52.55 51.75 3h89 s ASP 6 Cb -0.03 1.53 0.44 0.00 -1.46 0.00 0.00 42.92 43.41 3h89 s ASP 6 CO 0.01 -0.29 1.31 0.79 0.52 0.00 0.00 175.17 177.50 3h89 n TRP 7 N 5.11 0.15 0.19 -5.34 7.02 -0.30 -1.68 117.44 122.59 3h89 n TRP 7 Ca 0.05 0.07 0.03 0.00 -1.02 0.00 0.00 57.50 56.63 3h89 n TRP 7 Cb 0.52 -0.61 0.36 0.00 -2.42 0.00 0.00 31.31 29.16 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 -2.28 114.38 112.13 3h89 h ARG 8 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3h89 h ARG 8 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3h89 h ARG 8 CO 0.00 0.38 -0.08 0.93 -1.07 0.00 0.00 179.97 180.13 3h89 h GLU 9 N 0.00 0.18 -0.44 0.04 5.08 -1.73 -2.85 114.58 114.86 3h89 h GLU 9 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h89 h GLU 9 Cb 0.70 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3h89 h GLU 9 CO 0.05 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.96 3h89 n LYS 10 N -4.35 2.52 -1.95 2.33 4.76 -0.91 -4.98 118.16 115.58 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 0.21 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.48 0.51 0.09 0.72 0.00 -1.08 -4.98 105.19 101.93 3h89 n GLY 11 Ca 0.20 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.51 3h89 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h89 n TYR 12 N -3.68 0.74 -4.71 1.61 4.02 -0.91 -4.81 117.16 109.40 3h89 n TYR 12 Ca 0.00 0.21 -0.33 0.00 -0.01 0.00 0.00 57.90 57.77 3h89 n TYR 12 Cb 0.47 -0.81 -0.12 0.00 -0.02 0.00 0.00 39.34 38.87 3h89 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h89 s VAL 13 N -3.32 3.49 0.51 -0.72 1.01 -1.26 -3.79 120.40 116.32 3h89 s VAL 13 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3h89 s VAL 13 Cb 0.11 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3h89 s VAL 13 CO 0.79 0.59 0.73 0.42 0.00 0.00 0.00 175.10 177.64 3h89 s THR 14 N -0.79 3.22 0.93 3.92 -4.23 -1.26 -5.00 115.64 112.43 3h89 s THR 14 Ca 0.12 -0.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 3h89 s THR 14 Cb -0.11 -3.20 0.12 0.00 1.34 0.00 0.00 72.50 70.65 3h89 s THR 14 CO 0.01 -0.14 0.97 -2.65 -0.54 0.00 0.00 174.62 172.27 3h89 n PRO 15 N -2.24 -0.43 -1.91 3.99 -0.02 -1.26 -4.91 135.00 128.22 3h89 n PRO 15 Ca 0.05 -0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 3h89 n PRO 15 Cb 0.59 -2.25 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 -2.58 2.28 0.49 -1.45 1.01 -1.26 -5.02 120.40 113.86 3h89 s VAL 16 Ca 0.65 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.95 3h89 s VAL 16 Cb -0.23 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3h89 s VAL 16 CO 0.60 0.06 0.22 -0.54 0.00 0.00 0.00 175.10 175.44 3h89 s LYS 17 N -2.07 2.23 -0.15 2.72 1.02 -1.26 -4.80 119.74 117.43 3h89 s LYS 17 Ca 0.53 -2.06 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 3h89 s LYS 17 Cb -0.44 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.01 3h89 s LYS 17 CO 0.58 -0.36 0.02 1.21 -0.92 0.00 0.00 175.35 175.88 3h89 s ASN 18 N -4.04 2.39 0.40 2.83 3.84 -1.26 -1.30 114.94 117.80 3h89 s ASN 18 Ca 0.29 -0.53 0.27 0.00 0.21 0.00 0.00 52.86 53.10 3h89 s ASN 18 Cb 0.01 -0.53 0.90 0.00 -0.55 0.00 0.00 41.25 41.09 3h89 s ASN 18 CO 0.17 -0.26 1.79 0.06 -2.79 0.00 0.00 177.10 176.06 3h89 h GLN 19 N 8.28 0.00 0.00 0.43 3.07 -1.59 -3.47 115.11 121.82 3h89 h GLN 19 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 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 0.56 0.16 2.65 0.06 0.00 -1.26 -3.91 105.19 103.44 3h89 n GLY 20 Ca 0.03 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.12 2.94 -3.66 1.61 6.02 -1.26 -4.76 117.38 118.14 3h89 n GLN 21 Ca 0.00 -2.41 -0.07 0.00 -0.01 0.00 0.00 57.00 54.51 3h89 n GLN 21 Cb 0.00 -3.11 -0.08 0.00 1.02 0.00 0.00 30.24 28.07 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 4.51 3.17 1.18 0.00 0.00 0.44 -4.39 105.19 110.11 3h89 n GLY 23 Ca -0.19 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 4.40 -0.13 1.61 3.41 -1.26 -3.05 113.62 122.18 3h89 n SER 24 Ca 0.48 -2.94 0.26 0.00 -0.26 0.00 0.00 58.87 56.41 3h89 n SER 24 Cb 0.32 -0.57 0.71 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.00 0.04 -0.08 0.00 5.08 -1.83 -1.63 115.95 117.53 3h89 h TRP 26 Ca 0.37 -0.01 -0.22 0.00 1.08 0.00 0.00 58.89 60.12 3h89 h TRP 26 Cb 1.50 -0.01 0.01 0.00 -3.00 0.00 0.00 29.16 27.66 3h89 h TRP 26 CO 0.00 0.34 -0.84 0.00 -1.28 0.00 0.00 178.44 176.66 3h89 h ALA 27 N 1.66 0.36 0.00 0.11 0.00 -0.76 -2.28 119.26 118.36 3h89 h ALA 27 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3h89 h ALA 27 Cb 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3h89 h ALA 27 CO 0.04 0.73 -0.63 0.74 0.00 0.00 0.00 179.25 180.13 3h89 h PHE 28 N 0.39 0.00 -0.13 0.00 -1.00 -1.28 -1.15 116.94 113.77 3h89 h PHE 28 Ca -0.07 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.59 3h89 h PHE 28 Cb 1.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.03 3h89 h PHE 28 CO 0.07 0.63 -0.42 1.03 -1.61 0.00 0.00 178.31 178.01 3h89 h SER 29 N 0.00 0.60 -0.33 2.17 0.87 -1.32 -2.45 113.55 113.09 3h89 h SER 29 Ca -0.01 -0.61 -0.03 0.00 -1.23 0.00 0.00 61.79 59.92 3h89 h SER 29 Cb 1.15 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3h89 h SER 29 CO 0.08 1.10 0.07 0.00 -0.53 0.00 0.00 176.83 177.55 3h89 h ALA 30 N 0.51 0.43 -0.78 6.23 0.00 -1.31 -1.90 119.26 122.44 3h89 h ALA 30 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3h89 h ALA 30 Cb 1.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3h89 h ALA 30 CO 0.09 0.10 0.39 1.79 0.00 0.00 0.00 179.25 181.62 3h89 h THR 31 N 0.37 1.24 -0.72 0.00 1.35 -1.28 0.10 112.91 113.98 3h89 h THR 31 Ca 0.10 -0.66 0.04 0.00 -0.55 0.00 0.00 66.41 65.34 3h89 h THR 31 Cb 0.31 0.25 -0.05 0.00 -1.73 0.00 0.00 68.15 66.93 3h89 h THR 31 CO 0.00 0.28 0.44 1.23 -0.25 0.00 0.00 175.52 177.23 3h89 h GLY 32 N 1.09 1.04 0.97 5.82 0.00 -1.20 0.64 103.07 111.43 3h89 h GLY 32 Ca 0.27 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 3h89 h GLY 32 CO -0.04 0.25 -0.09 0.00 0.00 0.00 0.00 176.54 176.67 3h89 h ALA 33 N 1.32 0.53 -0.29 3.60 0.00 -0.82 -2.40 119.26 121.21 3h89 h ALA 33 Ca 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3h89 h ALA 33 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h89 h ALA 33 CO -0.13 0.39 0.08 -0.07 0.00 0.00 0.00 179.25 179.52 3h89 h LEU 34 N 0.55 0.43 -1.70 0.00 3.38 -0.33 -0.44 115.31 117.21 3h89 h LEU 34 Ca 0.10 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3h89 h LEU 34 Cb 0.60 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h89 h LEU 34 CO 0.04 0.54 0.30 -0.33 0.09 0.00 0.00 178.44 179.07 3h89 h GLU 35 N 0.31 0.37 0.04 1.13 5.08 0.30 0.31 114.58 122.12 3h89 h GLU 35 Ca 0.09 -0.02 -0.27 0.00 -1.00 0.00 0.00 59.36 58.16 3h89 h GLU 35 Cb 0.27 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.45 3h89 h GLU 35 CO -0.00 0.24 -1.09 0.78 -1.00 0.00 0.00 179.01 177.94 3h89 h GLY 36 N 0.38 0.66 1.89 -3.84 0.00 -0.96 -2.55 103.07 98.65 3h89 h GLY 36 Ca 0.19 -1.24 -0.19 0.00 0.00 0.00 0.00 47.33 46.09 3h89 h GLY 36 CO -0.05 1.09 -0.89 1.46 0.00 0.00 0.00 176.54 178.16 3h89 h GLN 37 N 0.30 0.09 -0.36 4.80 1.08 -0.21 -2.06 115.11 118.75 3h89 h GLN 37 Ca -0.14 -0.11 -0.14 0.00 -1.45 0.00 0.00 58.65 56.81 3h89 h GLN 37 Cb 1.75 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.21 3h89 h GLN 37 CO 0.21 0.92 -0.35 0.52 -0.95 0.00 0.00 178.83 179.18 3h89 h MET 38 N 0.05 0.83 -0.29 1.46 2.86 -0.49 -2.66 114.93 116.68 3h89 h MET 38 Ca -0.03 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 3h89 h MET 38 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 3h89 h MET 38 CO 0.13 1.04 0.14 0.35 1.06 0.00 0.00 176.91 179.63 3h89 h PHE 39 N 0.69 0.43 -0.83 -0.22 3.57 -1.40 0.14 116.94 119.31 3h89 h PHE 39 Ca 0.07 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.63 3h89 h PHE 39 Cb 0.91 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 3h89 h PHE 39 CO 0.05 0.39 0.54 -0.09 -2.23 0.00 0.00 178.31 176.98 3h89 h ARG 40 N 0.34 0.82 0.07 1.11 2.43 -1.28 0.66 114.38 118.53 3h89 h ARG 40 Ca 0.10 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 3h89 h ARG 40 Cb 0.13 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3h89 h ARG 40 CO -0.01 0.54 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.27 3h89 h LYS 41 N 0.84 0.20 0.00 0.20 3.64 -1.10 -3.40 116.57 116.95 3h89 h LYS 41 Ca 0.38 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h89 h LYS 41 Cb 0.35 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3h89 h LYS 41 CO -0.15 1.13 -1.61 0.25 -2.27 0.00 0.00 179.45 176.80 3h89 n THR 42 N -4.32 0.00 -1.00 1.00 -2.24 0.43 -4.98 114.28 103.18 3h89 n THR 42 Ca -0.12 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3h89 n THR 42 Cb 0.68 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.41 0.50 3.19 3.38 0.00 0.23 -5.01 105.19 108.90 3h89 n GLY 43 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 3.05 -0.44 1.61 0.52 -1.26 -5.02 118.95 117.28 3h89 s ARG 44 Ca 0.00 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 3h89 s ARG 44 Cb 0.00 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 33.08 3h89 s ARG 44 CO 0.00 0.04 0.46 -1.17 0.02 0.00 0.00 175.30 174.66 3h89 s LEU 45 N 0.68 4.93 -0.11 2.53 2.96 -1.26 -4.00 118.68 124.41 3h89 s LEU 45 Ca -0.10 -0.75 0.03 0.00 -0.22 0.00 0.00 54.13 53.09 3h89 s LEU 45 Cb -0.16 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.15 3h89 s LEU 45 CO 0.01 -0.63 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.56 3h89 s ILE 46 N 2.18 1.97 0.14 6.68 1.09 -1.26 -5.10 121.20 126.89 3h89 s ILE 46 Ca 0.12 -0.95 -0.31 0.00 -1.10 0.00 0.00 60.65 58.41 3h89 s ILE 46 Cb -0.18 -1.72 -0.09 0.00 -1.06 0.00 0.00 42.46 39.41 3h89 s ILE 46 CO 0.13 0.54 1.44 -0.55 -0.10 0.00 0.00 174.94 176.40 3h89 s SER 47 N 0.58 6.75 0.08 3.58 0.15 -1.26 -4.79 113.70 118.79 3h89 s SER 47 Ca -0.13 2.44 -0.00 0.00 0.70 0.00 0.00 55.95 58.95 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 -0.70 0.24 -0.76 1.20 0.00 0.00 173.24 173.26 3h89 s LEU 48 N 0.98 4.34 -0.20 3.45 1.43 -1.26 -0.19 118.68 127.23 3h89 s LEU 48 Ca 0.66 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 3h89 s LEU 48 Cb -0.39 -3.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3h89 s LEU 48 CO 0.32 0.14 1.41 -0.55 0.23 0.00 0.00 176.35 177.90 3h89 s SER 49 N -2.57 6.70 0.10 2.29 0.15 -0.53 -4.15 113.70 115.68 3h89 s SER 49 Ca 0.36 1.63 0.00 0.00 0.70 0.00 0.00 55.95 58.64 3h89 s SER 49 Cb -0.13 -2.54 -0.25 0.00 -1.71 0.00 0.00 66.02 61.40 3h89 s SER 49 CO 0.28 -0.99 1.20 -0.33 1.20 0.00 0.00 173.24 174.61 3h89 h GLU 50 N 9.27 0.16 -0.88 5.44 3.07 -1.89 -3.24 114.58 126.52 3h89 h GLU 50 Ca -0.30 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.29 3h89 h GLU 50 Cb 1.12 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 3h89 h GLU 50 CO 0.99 1.12 0.55 0.37 -1.40 0.00 0.00 179.01 180.64 3h89 h GLN 51 N 0.04 1.17 -0.78 2.33 5.75 -1.84 0.58 115.11 122.36 3h89 h GLN 51 Ca -0.08 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3h89 h GLN 51 Cb 1.88 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 30.12 3h89 h GLN 51 CO 0.17 0.80 0.48 -0.97 -2.65 0.00 0.00 178.83 176.66 3h89 h ASN 52 N 1.20 0.76 -0.30 -0.69 -0.00 -1.79 -0.37 115.58 114.39 3h89 h ASN 52 Ca 0.32 0.01 -0.09 0.00 -0.00 0.00 0.00 56.30 56.54 3h89 h ASN 52 Cb -0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.08 3h89 h ASN 52 CO -0.06 0.50 -0.18 -0.07 -0.00 0.00 0.00 177.43 177.61 3h89 h LEU 53 N 0.89 0.67 -0.72 0.34 3.38 -1.24 -2.00 115.31 116.63 3h89 h LEU 53 Ca 0.33 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3h89 h LEU 53 Cb 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3h89 h LEU 53 CO -0.15 0.96 0.47 0.58 0.09 0.00 0.00 178.44 180.38 3h89 h VAL 54 N 0.40 1.15 0.00 1.22 2.07 -0.36 -2.32 116.25 118.41 3h89 h VAL 54 Ca 0.06 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3h89 h VAL 54 Cb 0.72 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3h89 h VAL 54 CO 0.05 0.17 -0.86 0.44 0.02 0.00 0.00 177.57 177.39 3h89 h ASP 55 N 0.94 0.00 0.00 0.57 3.32 -1.09 -3.36 116.42 116.81 3h89 h ASP 55 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3h89 h ASP 55 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3h89 h ASP 55 CO -0.08 0.34 -0.49 0.00 -1.72 0.00 0.00 179.24 177.30 3h89 n SER 57 N -1.26 3.58 -0.23 0.00 3.41 -0.88 -4.33 113.62 113.92 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 0.12 -0.61 0.05 0.00 -0.26 0.00 0.00 64.21 63.50 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 4.19 0.95 2.00 5.00 0.00 -1.84 -2.38 103.07 110.99 3h89 h GLY 58 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3h89 h GLY 58 CO 0.32 0.37 -0.02 -2.55 0.00 0.00 0.00 176.54 174.66 3h89 h PRO 59 N 0.89 0.00 0.00 4.80 0.11 -1.86 -1.19 132.00 134.75 3h89 h PRO 59 Ca 0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3h89 h PRO 59 Cb -0.04 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3h89 h PRO 59 CO -0.05 0.02 0.00 1.04 -0.21 0.00 0.00 178.00 178.81 3h89 n GLN 60 N -4.52 0.09 0.00 1.05 3.00 -0.99 -4.88 117.38 111.14 3h89 n GLN 60 Ca -0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3h89 n GLN 60 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 1.18 1.18 3.84 1.08 0.00 -0.45 -4.85 105.19 107.16 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 -1.31 5.68 -0.32 1.61 0.01 -0.93 -4.88 114.94 114.78 3h89 s ASN 62 Ca 0.00 1.56 0.12 0.00 -0.71 0.00 0.00 52.86 53.83 3h89 s ASN 62 Cb 0.00 -2.49 0.46 0.00 0.41 0.00 0.00 41.25 39.63 3h89 s ASN 62 CO 0.00 -1.24 1.12 -0.62 -1.51 0.00 0.00 177.10 174.84 3h89 n GLU 63 N -2.96 2.77 0.00 -0.60 -0.58 0.97 -4.22 120.64 116.03 3h89 n GLU 63 Ca 0.07 -3.96 0.00 0.00 -0.42 0.00 0.00 57.16 52.85 3h89 n GLU 63 Cb 0.54 -1.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 -0.53 3.26 0.00 0.62 0.00 -1.25 -1.06 105.19 106.22 3h89 n GLY 64 Ca 0.29 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.85 2.05 0.00 0.00 3.02 -0.22 -0.42 115.26 118.84 3h89 n ASN 66 Ca 0.15 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.17 3h89 n ASN 66 Cb 0.07 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 1.41 3.42 0.00 7.41 0.00 -1.17 -4.95 105.19 111.32 3h89 n GLY 67 Ca 0.10 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.71 -1.29 3.16 -0.02 0.00 -1.26 -0.02 105.19 104.06 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 0.32 0.99 1.43 -1.26 -4.82 118.68 117.58 3h89 s LEU 69 Ca 0.00 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3h89 s LEU 69 Cb 0.00 -0.55 0.55 0.00 0.03 0.00 0.00 46.19 46.22 3h89 s LEU 69 CO 0.00 -0.04 1.84 0.24 0.23 0.00 0.00 176.35 178.62 3h89 h MET 70 N 4.52 0.53 -0.13 1.70 2.86 -1.98 -2.39 114.93 120.04 3h89 h MET 70 Ca -0.40 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.02 3h89 h MET 70 Cb 1.19 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3h89 h MET 70 CO 0.41 0.60 -0.31 -0.44 1.06 0.00 0.00 176.91 178.23 3h89 h ASP 71 N 0.50 0.25 -0.26 1.22 3.32 -1.96 -1.63 116.42 117.86 3h89 h ASP 71 Ca 0.10 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 3h89 h ASP 71 Cb 0.41 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3h89 h ASP 71 CO 0.02 0.56 -0.23 1.88 -1.72 0.00 0.00 179.24 179.75 3h89 h TYR 72 N 0.22 0.84 -0.48 4.55 -1.99 -1.77 -0.39 116.97 117.95 3h89 h TYR 72 Ca 0.03 -0.19 -0.05 0.00 2.00 0.00 0.00 58.73 60.52 3h89 h TYR 72 Cb 0.67 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.18 3h89 h TYR 72 CO 0.01 0.90 0.10 0.00 -0.00 0.00 0.00 178.16 179.17 3h89 h ALA 73 N 1.10 0.63 -0.37 3.88 0.00 -1.10 -0.42 119.26 122.98 3h89 h ALA 73 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3h89 h ALA 73 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3h89 h ALA 73 CO 0.06 0.34 0.16 0.74 0.00 0.00 0.00 179.25 180.54 3h89 h PHE 74 N 0.65 0.55 -0.87 0.00 0.04 -1.07 -1.56 116.94 114.68 3h89 h PHE 74 Ca 0.15 -0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.93 3h89 h PHE 74 Cb 0.35 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 3h89 h PHE 74 CO 0.02 0.49 0.57 0.37 -0.60 0.00 0.00 178.31 179.16 3h89 h GLN 75 N 0.45 1.00 0.51 1.51 5.75 -0.84 -1.59 115.11 121.90 3h89 h GLN 75 Ca 0.12 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3h89 h GLN 75 Cb 0.16 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.49 3h89 h GLN 75 CO -0.01 0.66 -0.24 -0.92 -2.65 0.00 0.00 178.83 175.67 3h89 h TYR 76 N 1.03 -0.63 -1.01 3.99 3.20 -0.48 0.17 116.97 123.24 3h89 h TYR 76 Ca 0.36 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.44 3h89 h TYR 76 Cb 0.12 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.49 3h89 h TYR 76 CO -0.00 -0.34 0.62 0.28 -1.64 0.00 0.00 178.16 177.07 3h89 h VAL 77 N -0.81 0.60 0.26 1.81 2.07 -0.83 0.91 116.25 120.26 3h89 h VAL 77 Ca -0.07 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3h89 h VAL 77 Cb 0.58 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3h89 h VAL 77 CO 0.11 0.11 -0.12 -0.61 0.02 0.00 0.00 177.57 177.08 3h89 h GLN 78 N 0.60 -0.33 -0.66 1.57 4.15 -0.97 -2.05 115.11 117.42 3h89 h GLN 78 Ca 0.60 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 60.00 3h89 h GLN 78 Cb 1.16 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.90 3h89 h GLN 78 CO -0.39 0.03 0.24 -0.44 -1.93 0.00 0.00 178.83 176.33 3h89 h ASP 79 N -0.81 0.90 0.27 -0.69 3.32 0.41 -2.88 116.42 116.95 3h89 h ASP 79 Ca -0.04 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.77 3h89 h ASP 79 Cb 0.51 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3h89 h ASP 79 CO 0.06 0.82 -0.41 -1.13 -1.72 0.00 0.00 179.24 176.86 3h89 h ASN 80 N 0.96 0.19 0.00 6.45 -1.24 0.74 -3.47 115.58 119.21 3h89 h ASN 80 Ca 0.22 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3h89 h ASN 80 Cb 0.22 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.22 3h89 h ASN 80 CO -0.01 0.59 0.00 0.61 -1.29 0.00 0.00 177.43 177.32 3h89 n GLY 81 N -0.22 0.65 0.00 1.57 0.00 -0.81 -5.00 105.19 101.39 3h89 n GLY 81 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.57 -0.23 3.46 -0.02 0.00 -0.97 -5.00 105.19 99.87 3h89 n GLY 82 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.47 0.70 0.99 2.96 -1.10 -4.60 118.68 117.16 3h89 s LEU 83 Ca 0.00 1.20 -0.11 0.00 -0.22 0.00 0.00 54.13 55.00 3h89 s LEU 83 Cb 0.00 1.89 0.01 0.00 0.50 0.00 0.00 46.19 48.59 3h89 s LEU 83 CO 0.00 -0.21 1.06 -1.81 -1.32 0.00 0.00 176.35 174.07 3h89 s ASP 84 N 1.31 5.39 0.59 3.68 1.01 -1.26 -0.55 116.67 126.85 3h89 s ASP 84 Ca -0.08 1.50 -0.14 0.00 0.71 0.00 0.00 52.55 54.54 3h89 s ASP 84 Cb -0.06 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 3h89 s ASP 84 CO -0.13 -1.42 1.03 -0.94 0.21 0.00 0.00 175.17 173.91 3h89 s SER 85 N -3.92 6.10 0.26 0.27 1.04 -1.10 -1.45 113.70 114.91 3h89 s SER 85 Ca 0.58 1.60 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 3h89 s SER 85 Cb -0.13 -2.50 0.42 0.00 0.10 0.00 0.00 66.02 63.91 3h89 s SER 85 CO 0.54 -0.95 1.86 -0.08 0.98 0.00 0.00 173.24 175.59 3h89 h GLU 86 N 0.20 1.01 -0.22 4.02 4.57 -0.74 -1.10 114.58 122.33 3h89 h GLU 86 Ca -0.46 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.55 3h89 h GLU 86 Cb 1.20 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 3h89 h GLU 86 CO 0.60 0.67 -0.34 1.49 -1.18 0.00 0.00 179.01 180.25 3h89 h GLU 87 N 1.04 0.47 0.01 1.92 4.81 -1.93 -2.87 114.58 118.03 3h89 h GLU 87 Ca 0.43 -0.21 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 3h89 h GLU 87 Cb 0.27 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3h89 h GLU 87 CO -0.20 0.75 -1.15 0.66 -0.73 0.00 0.00 179.01 178.33 3h89 h SER 88 N 0.40 0.04 -2.40 1.04 4.64 -1.80 -3.39 113.55 112.07 3h89 h SER 88 Ca 0.05 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3h89 h SER 88 Cb 0.78 -0.01 -0.41 0.00 -0.31 0.00 0.00 62.40 62.46 3h89 h SER 88 CO 0.06 1.03 -0.78 0.00 -0.87 0.00 0.00 176.83 176.28 3h89 n TYR 89 N -3.31 1.80 -1.56 4.77 4.19 -0.47 -4.99 117.16 117.59 3h89 n TYR 89 Ca -0.04 -3.91 -0.39 0.00 3.31 0.00 0.00 57.90 56.87 3h89 n TYR 89 Cb 0.97 -0.38 0.03 0.00 0.49 0.00 0.00 39.34 40.45 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 1.61 0.93 -2.56 2.98 -0.02 -1.09 -4.43 135.00 132.41 3h89 n PRO 90 Ca 0.25 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3h89 n PRO 90 Cb 0.44 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.48 3.56 -0.46 6.00 5.04 -1.26 -4.70 117.35 124.05 3h89 s TYR 91 Ca 0.68 1.51 0.04 0.00 -2.44 0.00 0.00 57.07 56.87 3h89 s TYR 91 Cb -0.49 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 38.57 3h89 s TYR 91 CO 0.53 -0.64 0.52 0.39 -1.34 0.00 0.00 175.55 175.01 3h89 n GLU 92 N 3.74 1.19 -1.57 4.97 1.02 -1.26 -5.00 120.64 123.74 3h89 n GLU 92 Ca 0.07 -0.57 -0.20 0.00 -0.02 0.00 0.00 57.16 56.45 3h89 n GLU 92 Cb 0.48 -0.98 -0.08 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.10 -0.30 -3.37 0.62 0.00 -1.26 -4.93 120.51 111.17 3h89 n ALA 93 Ca 0.02 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 3h89 n ALA 93 Cb 0.10 -2.01 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 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 -2.65 0.02 0.03 0.00 -1.32 -1.26 -4.57 115.64 105.88 3h89 s THR 94 Ca 0.00 -0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.05 3h89 s THR 94 Cb 0.00 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.22 3h89 s THR 94 CO 0.00 -0.07 1.15 -0.70 -2.21 0.00 0.00 174.62 172.79 3h89 s GLU 95 N -0.43 4.45 0.36 7.08 2.12 -1.26 -4.98 118.70 126.04 3h89 s GLU 95 Ca -0.06 1.68 0.04 0.00 0.36 0.00 0.00 54.97 56.98 3h89 s GLU 95 Cb -0.03 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3h89 s GLU 95 CO 0.03 -0.24 0.08 -1.21 -0.54 0.00 0.00 175.26 173.38 3h89 s GLU 96 N 1.24 1.75 0.58 4.30 0.41 -1.26 -5.08 118.70 120.64 3h89 s GLU 96 Ca 0.57 -2.01 -0.20 0.00 -0.41 0.00 0.00 54.97 52.92 3h89 s GLU 96 Cb -0.27 -0.79 -0.04 0.00 -1.78 0.00 0.00 34.13 31.25 3h89 s GLU 96 CO 0.28 -0.29 1.27 -1.54 -0.49 0.00 0.00 175.26 174.49 3h89 s SER 97 N -3.53 5.13 0.12 -0.19 1.04 -1.26 -4.54 113.70 110.47 3h89 s SER 97 Ca 0.31 2.56 -0.31 0.00 0.48 0.00 0.00 55.95 58.99 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 -1.65 1.67 0.00 0.98 0.00 0.00 173.24 174.38 3h89 n LYS 99 N 4.94 1.22 -1.69 0.00 5.02 -1.26 -5.04 118.16 121.35 3h89 n LYS 99 Ca 0.16 -2.95 -0.44 0.00 -2.02 0.00 0.00 58.31 53.05 3h89 n LYS 99 Cb 0.39 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -0.80 2.34 -3.83 2.13 9.36 -1.26 -4.98 117.16 120.12 3h89 n TYR 100 Ca 0.16 0.37 -0.29 0.00 3.32 0.00 0.00 57.90 61.46 3h89 n TYR 100 Cb 0.78 -2.50 -0.16 0.00 -0.63 0.00 0.00 39.34 36.83 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 0.41 3.52 0.55 2.98 3.84 -1.26 -5.01 114.94 119.97 3h89 s ASN 101 Ca 0.68 -1.13 0.26 0.00 0.21 0.00 0.00 52.86 52.88 3h89 s ASN 101 Cb -0.62 -0.91 1.41 0.00 -0.55 0.00 0.00 41.25 40.59 3h89 s ASN 101 CO 0.48 -0.30 1.77 1.55 -2.79 0.00 0.00 177.10 177.81 3h89 h PRO 102 N 8.08 0.00 0.00 0.43 0.13 -1.99 -0.10 132.00 138.55 3h89 h PRO 102 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 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 -0.09 -0.22 -0.23 0.00 0.00 178.00 177.85 3h89 h LYS 103 N 0.00 0.00 -0.35 0.86 3.64 -2.01 -2.88 116.57 115.83 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 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3h89 h LYS 103 CO 0.00 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.93 3h89 n TYR 104 N -3.30 0.55 -2.14 1.91 4.01 -0.05 -5.01 117.16 113.13 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 0.30 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.09 -2.71 113.70 123.47 3h89 s SER 105 Ca 0.27 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.46 3h89 s SER 105 Cb 0.15 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3h89 s SER 105 CO 0.16 -0.57 0.42 1.33 1.20 0.00 0.00 173.24 175.78 3h89 n VAL 106 N 2.07 0.17 -3.99 4.45 0.24 0.29 -4.91 118.33 116.65 3h89 n VAL 106 Ca 0.05 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.01 3h89 n VAL 106 Cb 0.42 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.17 0.09 0.00 2.33 0.00 -1.19 -5.01 121.76 117.81 3h89 s ALA 107 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 3h89 s ALA 107 Cb 0.00 0.91 0.10 0.00 0.00 0.00 0.00 23.12 24.13 3h89 s ALA 107 CO 0.00 -0.65 1.07 1.21 0.00 0.00 0.00 175.76 177.39 3h89 s ASN 108 N -2.99 -0.19 0.07 0.00 3.04 -1.26 -2.69 114.94 110.92 3h89 s ASN 108 Ca 0.19 -0.15 -0.15 0.00 0.04 0.00 0.00 52.86 52.79 3h89 s ASN 108 Cb 0.03 0.31 0.03 0.00 -1.54 0.00 0.00 41.25 40.08 3h89 s ASN 108 CO 0.02 -0.54 0.34 1.51 -3.04 0.00 0.00 177.10 175.38 3h89 s ASP 109 N -2.68 -0.16 -0.39 -4.21 1.47 -1.26 -4.52 116.67 104.92 3h89 s ASP 109 Ca 0.10 -0.22 0.05 0.00 1.18 0.00 0.00 52.55 53.67 3h89 s ASP 109 Cb 0.00 0.40 0.46 0.00 -0.34 0.00 0.00 42.92 43.45 3h89 s ASP 109 CO -0.04 -0.69 1.46 1.07 0.68 0.00 0.00 175.17 177.65 3h89 n THR 110 N 0.32 2.82 0.00 2.11 5.66 0.20 -4.19 114.28 121.20 3h89 n THR 110 Ca -0.18 -3.63 0.00 0.00 -3.05 0.00 0.00 64.05 57.19 3h89 n THR 110 Cb 0.61 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 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 -0.84 0.60 3.48 1.09 0.00 -1.24 -4.88 105.19 103.40 3h89 n GLY 111 Ca 0.47 -2.16 -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 -0.87 -0.47 -0.10 1.61 -0.71 -1.26 -1.63 117.98 114.55 3h89 s PHE 112 Ca 0.00 0.21 0.03 0.00 -1.04 0.00 0.00 56.93 56.13 3h89 s PHE 112 Cb 0.00 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.38 3h89 s PHE 112 CO 0.00 -0.90 -0.21 0.08 -1.34 0.00 0.00 175.22 172.85 3h89 s VAL 113 N -3.78 1.84 -0.29 -2.49 1.01 -0.11 -4.90 120.40 111.67 3h89 s VAL 113 Ca 0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3h89 s VAL 113 Cb -0.02 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3h89 s VAL 113 CO -0.10 0.51 0.31 -1.81 0.00 0.00 0.00 175.10 174.01 3h89 s ASP 114 N 0.59 6.15 0.38 3.32 1.01 -1.26 -2.27 116.67 124.60 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 -2.18 -0.09 0.00 1.01 0.00 0.00 42.92 41.50 3h89 s ASP 114 CO 0.04 -0.18 1.07 -0.63 0.21 0.00 0.00 175.17 175.68 3h89 s ILE 115 N 1.94 3.63 0.40 0.77 1.09 -0.39 -4.99 121.20 123.65 3h89 s ILE 115 Ca 0.11 1.30 -0.27 0.00 -1.10 0.00 0.00 60.65 60.70 3h89 s ILE 115 Cb -0.16 -3.70 -0.10 0.00 -1.06 0.00 0.00 42.46 37.44 3h89 s ILE 115 CO 0.11 0.06 1.40 -2.65 -0.10 0.00 0.00 174.94 173.76 3h89 n PRO 116 N 0.10 2.32 -0.59 2.79 -0.02 -1.26 -4.61 135.00 133.72 3h89 n PRO 116 Ca 0.04 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.17 3h89 n PRO 116 Cb 0.49 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 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 1.66 -3.85 -0.52 5.02 -1.26 -4.58 118.16 114.81 3h89 n LYS 117 Ca 0.04 -1.25 -0.13 0.00 -2.02 0.00 0.00 58.31 54.95 3h89 n LYS 117 Cb 0.39 -2.35 -0.14 0.00 -0.02 0.00 0.00 35.03 32.91 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 3.68 0.01 0.50 1.97 1.11 -1.25 -4.84 119.66 120.84 3h89 s GLN 118 Ca 0.32 0.06 0.17 0.00 0.01 0.00 0.00 55.36 55.91 3h89 s GLN 118 Cb 0.08 -0.04 1.22 0.00 -1.01 0.00 0.00 33.01 33.27 3h89 s GLN 118 CO -0.03 -0.03 2.10 0.93 0.01 0.00 0.00 175.29 178.27 3h89 h GLU 119 N 6.34 0.00 -0.67 2.91 5.08 -1.88 -1.43 114.58 124.93 3h89 h GLU 119 Ca -0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 3h89 h GLU 119 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3h89 h GLU 119 CO 0.49 0.06 0.13 -0.22 -1.00 0.00 0.00 179.01 178.47 3h89 h LYS 120 N 0.00 1.10 -0.04 2.33 3.11 -1.96 -0.24 116.57 120.87 3h89 h LYS 120 Ca -0.00 -0.28 -0.17 0.00 -2.81 0.00 0.00 60.65 57.39 3h89 h LYS 120 Cb 0.11 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 3h89 h LYS 120 CO 0.01 0.99 -0.73 0.00 -2.81 0.00 0.00 179.45 176.91 3h89 h ALA 121 N 1.10 0.68 -0.36 5.00 0.00 -1.60 -2.69 119.26 121.38 3h89 h ALA 121 Ca 0.21 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3h89 h ALA 121 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h89 h ALA 121 CO 0.01 0.80 -0.19 1.25 0.00 0.00 0.00 179.25 181.12 3h89 h LEU 122 N 0.17 0.67 -0.22 0.00 5.85 -0.93 -1.78 115.31 119.07 3h89 h LEU 122 Ca -0.03 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3h89 h LEU 122 Cb 1.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3h89 h LEU 122 CO 0.11 0.87 0.08 -0.03 -0.34 0.00 0.00 178.44 179.14 3h89 h MET 123 N 0.60 0.34 -0.72 1.25 4.05 -0.89 -0.44 114.93 119.11 3h89 h MET 123 Ca 0.09 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3h89 h MET 123 Cb 0.66 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3h89 h MET 123 CO 0.05 0.40 0.38 0.87 0.23 0.00 0.00 176.91 178.83 3h89 h LYS 124 N 0.20 1.01 -0.32 0.39 1.57 -1.32 -1.66 116.57 116.45 3h89 h LYS 124 Ca 0.07 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3h89 h LYS 124 Cb 0.19 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3h89 h LYS 124 CO -0.01 0.77 0.18 0.00 -0.57 0.00 0.00 179.45 179.83 3h89 h ALA 125 N 1.19 0.41 -0.82 3.86 0.00 -1.12 -0.96 119.26 121.82 3h89 h ALA 125 Ca 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h89 h ALA 125 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3h89 h ALA 125 CO -0.04 -0.07 0.54 0.28 0.00 0.00 0.00 179.25 179.97 3h89 h VAL 126 N 0.40 1.21 0.00 0.00 2.07 -0.80 0.22 116.25 119.35 3h89 h VAL 126 Ca 0.11 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 3h89 h VAL 126 Cb 0.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 3h89 h VAL 126 CO -0.02 0.21 -0.65 0.00 0.02 0.00 0.00 177.57 177.13 3h89 h ALA 127 N 1.48 0.76 0.00 1.67 0.00 -0.89 -3.22 119.26 119.07 3h89 h ALA 127 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h89 h ALA 127 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3h89 h ALA 127 CO -0.06 0.81 -1.42 0.25 0.00 0.00 0.00 179.25 178.83 3h89 n THR 128 N -3.53 0.00 -0.11 0.00 -2.24 -0.40 -4.77 114.28 103.23 3h89 n THR 128 Ca -0.00 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 3h89 n THR 128 Cb 0.70 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.84 1.25 0.00 2.28 0.31 0.73 -5.08 118.33 115.99 3h89 n VAL 129 Ca -0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3h89 n VAL 129 Cb 0.32 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 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 1.99 0.61 3.63 2.92 0.00 -1.21 -4.91 105.19 108.21 3h89 n GLY 130 Ca -0.42 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.04 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 1.68 -5.24 1.61 -0.02 -1.26 -4.52 135.00 127.24 3h89 n PRO 131 Ca 0.00 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.76 3h89 n PRO 131 Cb 0.00 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 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 -0.36 2.15 0.07 4.25 -1.09 -0.50 -4.77 121.20 120.96 3h89 s ILE 132 Ca 0.67 -1.05 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 3h89 s ILE 132 Cb -0.71 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.35 3h89 s ILE 132 CO 0.53 0.57 0.97 -0.44 -1.23 0.00 0.00 174.94 175.35 3h89 s SER 133 N -0.36 7.44 0.06 3.58 0.01 -0.04 -0.92 113.70 123.47 3h89 s SER 133 Ca 0.03 1.75 -0.06 0.00 1.31 0.00 0.00 55.95 58.97 3h89 s SER 133 Cb -0.12 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3h89 s SER 133 CO 0.02 -0.15 0.12 0.68 0.41 0.00 0.00 173.24 174.32 3h89 s VAL 134 N 0.40 0.15 -0.05 3.43 -7.23 -0.80 -0.68 120.40 115.61 3h89 s VAL 134 Ca 0.49 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3h89 s VAL 134 Cb -0.23 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 3h89 s VAL 134 CO 0.29 -0.69 -0.08 0.00 -0.31 0.00 0.00 175.10 174.31 3h89 s ALA 135 N -3.37 2.93 0.13 1.32 0.00 -1.24 0.21 121.76 121.73 3h89 s ALA 135 Ca 0.01 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.10 3h89 s ALA 135 Cb 0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3h89 s ALA 135 CO -0.08 0.58 -0.15 0.42 0.00 0.00 0.00 175.76 176.52 3h89 s ILE 136 N -0.83 1.45 -0.65 0.00 -1.09 0.28 -4.15 121.20 116.21 3h89 s ILE 136 Ca 0.13 -1.73 -0.22 0.00 -2.23 0.00 0.00 60.65 56.60 3h89 s ILE 136 Cb -0.11 -1.58 0.08 0.00 -1.58 0.00 0.00 42.46 39.27 3h89 s ILE 136 CO 0.02 -0.37 0.91 -0.62 -1.23 0.00 0.00 174.94 173.66 3h89 s ASP 137 N -2.44 6.17 -0.22 3.58 2.15 -0.91 -0.67 116.67 124.34 3h89 s ASP 137 Ca 0.10 -1.08 0.15 0.00 0.43 0.00 0.00 52.55 52.15 3h89 s ASP 137 Cb -0.06 -2.40 0.63 0.00 -0.30 0.00 0.00 42.92 40.80 3h89 s ASP 137 CO 0.04 -1.38 1.55 0.00 -0.17 0.00 0.00 175.17 175.21 3h89 n ALA 138 N 7.43 3.49 -0.33 3.66 0.00 -1.26 -4.77 120.51 128.73 3h89 n ALA 138 Ca -0.05 -2.28 -0.01 0.00 0.00 0.00 0.00 53.44 51.10 3h89 n ALA 138 Cb 0.45 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.24 1.78 3.12 0.00 0.00 -1.26 -4.75 105.19 103.84 3h89 n GLY 139 Ca 0.26 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 0.83 0.01 0.26 1.61 3.76 -1.26 -5.03 115.29 115.47 3h89 s HIS 140 Ca 0.03 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 3h89 s HIS 140 Cb 0.01 -0.03 0.52 0.00 1.11 0.00 0.00 32.58 34.19 3h89 s HIS 140 CO 0.00 -0.30 1.77 0.93 -0.85 0.00 0.00 174.74 176.29 3h89 h GLU 141 N 4.26 0.62 -0.81 1.40 5.08 -2.00 -1.97 114.58 121.16 3h89 h GLU 141 Ca -0.31 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 3h89 h GLU 141 Cb 1.19 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 3h89 h GLU 141 CO 0.40 0.41 0.47 0.66 -1.00 0.00 0.00 179.01 179.95 3h89 h SER 142 N 0.64 0.69 -0.51 1.42 4.64 -1.95 0.13 113.55 118.60 3h89 h SER 142 Ca 0.45 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.74 3h89 h SER 142 Cb 0.62 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3h89 h SER 142 CO -0.35 0.41 0.04 0.15 -0.87 0.00 0.00 176.83 176.21 3h89 h PHE 143 N 0.81 0.95 -0.28 4.77 3.57 -1.68 -1.39 116.94 123.70 3h89 h PHE 143 Ca 0.38 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3h89 h PHE 143 Cb 0.29 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3h89 h PHE 143 CO -0.06 0.87 -0.17 1.25 -2.23 0.00 0.00 178.31 177.97 3h89 h LEU 144 N 0.75 0.48 -1.54 0.59 5.85 -1.13 -2.81 115.31 117.50 3h89 h LEU 144 Ca 0.15 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h89 h LEU 144 Cb 0.46 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3h89 h LEU 144 CO 0.02 0.67 0.00 0.49 -0.34 0.00 0.00 178.44 179.28 3h89 n PHE 145 N -4.17 0.21 -1.60 1.25 3.72 0.38 -4.93 117.46 112.33 3h89 n PHE 145 Ca 0.00 -0.11 -0.48 0.00 -0.05 0.00 0.00 57.45 56.81 3h89 n PHE 145 Cb 0.35 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.78 1.48 0.02 1.38 9.36 -0.54 -4.91 117.16 124.72 3h89 n TYR 146 Ca 0.17 0.63 0.00 0.00 3.32 0.00 0.00 57.90 62.02 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 1.90 0.00 -3.87 2.98 5.02 -1.26 -2.05 118.16 120.88 3h89 n LYS 147 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 3h89 n LYS 147 Cb 0.25 -0.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.80 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 1.45 0.58 1.97 4.04 -1.26 -2.80 118.70 120.68 3h89 s GLU 148 Ca 0.00 -1.06 0.00 0.00 0.04 0.00 0.00 54.97 53.95 3h89 s GLU 148 Cb 0.00 0.49 0.00 0.00 0.02 0.00 0.00 34.13 34.64 3h89 s GLU 148 CO 0.00 -0.61 0.00 0.41 -1.84 0.00 0.00 175.26 173.22 3h89 n GLY 149 N -0.35 -2.06 3.62 -3.83 0.00 -1.26 -4.82 105.19 96.49 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 -0.09 4.82 -0.02 -0.61 1.09 -1.26 -4.02 121.20 121.11 3h89 s ILE 150 Ca 0.00 1.27 -0.30 0.00 -1.10 0.00 0.00 60.65 60.52 3h89 s ILE 150 Cb 0.00 -4.12 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 3h89 s ILE 150 CO 0.00 -0.18 1.13 -0.47 -0.10 0.00 0.00 174.94 175.32 3h89 s TYR 151 N 2.89 3.40 -0.20 3.97 5.04 0.66 -4.88 117.35 128.22 3h89 s TYR 151 Ca 0.32 1.39 -0.04 0.00 -2.44 0.00 0.00 57.07 56.30 3h89 s TYR 151 Cb -0.14 -3.33 0.09 0.00 0.35 0.00 0.00 41.96 38.92 3h89 s TYR 151 CO 0.11 -0.89 0.19 0.12 -1.34 0.00 0.00 175.55 173.73 3h89 s PHE 152 N 1.64 -0.13 -0.49 4.97 5.36 -1.26 -2.05 117.98 126.01 3h89 s PHE 152 Ca 0.55 0.02 -0.14 0.00 -0.96 0.00 0.00 56.93 56.40 3h89 s PHE 152 Cb -0.24 -0.47 0.10 0.00 -0.34 0.00 0.00 43.02 42.06 3h89 s PHE 152 CO 0.24 -0.60 0.40 -2.00 -1.46 0.00 0.00 175.22 171.81 3h89 s GLU 153 N 2.27 2.88 0.55 10.12 2.56 -1.26 -4.94 118.70 130.89 3h89 s GLU 153 Ca 0.06 -1.51 0.40 0.00 0.00 0.00 0.00 54.97 53.92 3h89 s GLU 153 Cb -0.16 -4.11 1.58 0.00 2.00 0.00 0.00 34.13 33.44 3h89 s GLU 153 CO -0.13 -1.12 1.72 -1.35 -0.56 0.00 0.00 175.26 173.82 3h89 h PRO 154 N 8.72 0.00 -0.65 4.30 0.11 -2.05 0.62 132.00 143.05 3h89 h PRO 154 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h89 h PRO 154 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h89 h PRO 154 CO 0.91 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.23 3h89 n ASP 155 N -4.06 4.69 -4.78 -2.05 2.03 -1.26 -4.99 116.55 106.13 3h89 n ASP 155 Ca 0.30 -2.49 -0.34 0.00 0.52 0.00 0.00 54.79 52.78 3h89 n ASP 155 Cb 1.46 -0.58 -0.00 0.00 -0.72 0.00 0.00 41.12 41.27 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 -1.96 3.65 -0.23 0.00 0.15 -1.26 -4.73 113.70 109.32 3h89 s SER 157 Ca 0.70 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 57.19 3h89 s SER 157 Cb -0.21 -0.65 0.79 0.00 -1.71 0.00 0.00 66.02 64.23 3h89 s SER 157 CO 0.27 0.34 1.70 -1.54 1.20 0.00 0.00 173.24 175.21 3h89 n SER 158 N 2.36 5.55 0.00 5.45 3.41 -1.26 -3.71 113.62 125.42 3h89 n SER 158 Ca -0.17 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 3h89 n SER 158 Cb 0.52 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 0.60 1.03 -2.37 4.33 1.02 -1.26 -4.63 120.64 119.36 3h89 n GLU 159 Ca 0.27 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.04 3h89 n GLU 159 Cb 1.16 -0.88 0.02 0.00 -0.02 0.00 0.00 31.44 31.72 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 -2.06 6.60 -4.78 1.62 5.75 -1.26 -5.04 116.55 117.38 3h89 n ASP 160 Ca 0.00 -3.75 -0.41 0.00 -0.01 0.00 0.00 54.79 50.62 3h89 n ASP 160 Cb 0.38 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 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 -3.98 4.02 0.00 0.11 -1.94 -1.26 -4.68 119.30 111.57 3h89 s MET 161 Ca 0.47 2.50 0.00 0.00 -1.71 0.00 0.00 55.69 56.96 3h89 s MET 161 Cb 0.34 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3h89 s MET 161 CO -0.26 -0.58 0.31 -0.40 -0.01 0.00 0.00 175.02 174.09 3h89 n ASP 162 N 0.32 0.39 -3.81 3.03 5.75 0.16 -4.87 116.55 117.52 3h89 n ASP 162 Ca 0.02 -1.09 -0.23 0.00 -0.01 0.00 0.00 54.79 53.48 3h89 n ASP 162 Cb 0.40 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.09 0.77 -0.10 2.11 5.04 -0.03 -4.93 115.29 118.06 3h89 s HIS 163 Ca 0.00 -0.24 -0.22 0.00 -1.54 0.00 0.00 55.06 53.07 3h89 s HIS 163 Cb 0.00 -0.82 -0.04 0.00 0.04 0.00 0.00 32.58 31.77 3h89 s HIS 163 CO 0.00 -0.32 0.63 0.20 -2.34 0.00 0.00 174.74 172.91 3h89 s GLY 164 N 1.72 2.46 0.00 1.59 0.00 -1.26 0.10 107.32 111.93 3h89 s GLY 164 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3h89 s GLY 164 CO -0.04 1.10 0.00 3.33 0.00 0.00 0.00 173.10 177.49 3h89 n VAL 165 N 3.91 0.00 -4.46 1.40 0.24 0.13 -4.63 118.33 114.91 3h89 n VAL 165 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.05 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 1.62 -0.35 1.34 2.96 -0.84 -1.91 118.68 121.49 3h89 s LEU 166 Ca 0.00 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 3h89 s LEU 166 Cb 0.00 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 3h89 s LEU 166 CO 0.00 0.03 0.40 -0.69 -1.32 0.00 0.00 176.35 174.77 3h89 s VAL 167 N 0.59 5.13 -1.35 1.68 1.01 -0.10 0.12 120.40 127.48 3h89 s VAL 167 Ca -0.11 0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.15 3h89 s VAL 167 Cb -0.14 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3h89 s VAL 167 CO 0.02 -0.15 0.96 1.33 0.00 0.00 0.00 175.10 177.26 3h89 n VAL 168 N 5.30 0.00 -2.95 2.92 0.24 -0.26 -1.41 118.33 122.18 3h89 n VAL 168 Ca -0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3h89 n VAL 168 Cb 0.49 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 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 1.47 -0.56 3.57 7.63 0.00 -1.22 -1.15 105.19 114.94 3h89 n GLY 169 Ca 0.06 -0.73 -0.05 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 -3.12 -0.18 0.00 1.61 -0.85 0.63 -1.45 117.35 114.00 3h89 s TYR 170 Ca 0.00 0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 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 -0.28 0.00 0.41 -1.52 0.00 0.00 175.55 174.16 3h89 n GLY 171 N -0.12 1.41 3.12 5.49 0.00 -0.77 -0.06 105.19 114.26 3h89 n GLY 171 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.33 0.28 0.24 1.61 -0.71 -1.26 -1.46 117.98 114.36 3h89 s PHE 172 Ca 0.00 -0.67 0.08 0.00 -1.04 0.00 0.00 56.93 55.30 3h89 s PHE 172 Cb 0.00 -0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 3h89 s PHE 172 CO 0.00 -0.39 0.05 -1.21 -1.34 0.00 0.00 175.22 172.33 3h89 s GLU 173 N -3.12 2.49 -0.86 1.99 2.02 -1.26 -4.99 118.70 114.96 3h89 s GLU 173 Ca -0.01 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 53.75 3h89 s GLU 173 Cb 0.02 -2.31 0.32 0.00 0.10 0.00 0.00 34.13 32.25 3h89 s GLU 173 CO -0.07 0.40 1.40 -1.13 0.02 0.00 0.00 175.26 175.87 3h89 n SER 174 N -0.79 5.98 0.00 -0.19 3.41 -1.26 -4.91 113.62 115.86 3h89 n SER 174 Ca -0.07 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 3h89 n SER 174 Cb 0.58 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 0.19 0.00 -4.92 4.04 6.94 -1.26 -5.29 115.26 114.96 3h89 n ASN 180 Ca 0.37 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.65 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 3.54 0.11 -3.83 1.02 -1.26 -4.32 119.74 114.99 3h89 s LYS 181 Ca 0.00 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 3h89 s LYS 181 Cb 0.00 -2.85 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 3h89 s LYS 181 CO 0.00 0.42 0.49 1.52 -0.92 0.00 0.00 175.35 176.87 3h89 s TYR 182 N -1.81 -0.36 -0.17 3.18 -0.85 -0.54 -1.89 117.35 114.91 3h89 s TYR 182 Ca 0.39 0.19 -0.09 0.00 -0.52 0.00 0.00 57.07 57.03 3h89 s TYR 182 Cb -0.11 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.55 3h89 s TYR 182 CO 0.28 -0.72 0.14 -1.58 -1.52 0.00 0.00 175.55 172.14 3h89 s TRP 183 N -3.37 3.48 -0.38 -3.49 0.52 0.13 -1.84 118.94 113.99 3h89 s TRP 183 Ca -0.00 0.41 -0.26 0.00 0.02 0.00 0.00 56.10 56.27 3h89 s TRP 183 Cb 0.00 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 3h89 s TRP 183 CO -0.09 0.45 0.94 -1.17 0.02 0.00 0.00 176.95 177.09 3h89 s LEU 184 N -0.13 3.98 -0.12 2.99 0.20 -0.53 -1.48 118.68 123.59 3h89 s LEU 184 Ca 0.11 0.52 0.01 0.00 0.69 0.00 0.00 54.13 55.46 3h89 s LEU 184 Cb -0.11 -3.27 -0.01 0.00 -0.43 0.00 0.00 46.19 42.37 3h89 s LEU 184 CO 0.00 -0.90 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.32 3h89 s VAL 185 N 3.55 2.80 -0.20 1.68 1.01 0.76 -1.10 120.40 128.89 3h89 s VAL 185 Ca 0.38 -0.75 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 3h89 s VAL 185 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3h89 s VAL 185 CO 0.20 0.53 0.34 -0.75 0.00 0.00 0.00 175.10 175.42 3h89 s LYS 186 N 0.37 4.17 0.49 2.72 2.20 0.12 -0.62 119.74 129.18 3h89 s LYS 186 Ca -0.13 0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.66 3h89 s LYS 186 Cb -0.16 -3.52 0.08 0.00 -1.51 0.00 0.00 37.83 32.71 3h89 s LYS 186 CO 0.06 0.02 0.66 -1.71 -0.36 0.00 0.00 175.35 174.02 3h89 n ASN 187 N 4.31 1.84 -2.50 1.43 2.85 -0.65 -1.99 115.26 120.55 3h89 n ASN 187 Ca -0.10 -2.33 -0.11 0.00 -0.11 0.00 0.00 54.58 51.93 3h89 n ASN 187 Cb 0.51 -0.34 0.03 0.00 1.24 0.00 0.00 39.78 41.23 3h89 n ASN 187 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3h89 n SER 188 N -2.39 3.00 -0.76 1.20 3.41 -1.26 -4.48 113.62 112.33 3h89 n SER 188 Ca 0.13 -2.83 0.03 0.00 -0.26 0.00 0.00 58.87 55.94 3h89 n SER 188 Cb 0.51 -0.43 0.20 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.58 0.53 -0.06 7.33 7.02 -1.18 -1.40 117.44 129.11 3h89 n TRP 189 Ca 0.23 -1.38 0.01 0.00 -1.02 0.00 0.00 57.50 55.34 3h89 n TRP 189 Cb 0.85 -0.33 -0.00 0.00 -2.42 0.00 0.00 31.31 29.41 3h89 n TRP 189 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h89 n GLY 190 N -1.10 -2.27 0.42 6.99 0.00 -0.42 -4.44 105.19 104.37 3h89 n GLY 190 Ca 0.24 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.35 1.54 -0.18 1.61 0.28 -1.26 -3.57 120.64 116.70 3h89 n GLU 191 Ca -0.00 -0.82 0.11 0.00 -0.16 0.00 0.00 57.16 56.28 3h89 n GLU 191 Cb 0.03 -1.27 0.27 0.00 1.43 0.00 0.00 31.44 31.89 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 0.10 2.27 -4.76 3.44 -0.58 -1.26 -3.72 120.64 116.13 3h89 n GLU 192 Ca 0.12 -1.92 -0.32 0.00 -0.42 0.00 0.00 57.16 54.61 3h89 n GLU 192 Cb 0.23 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.52 2.74 0.00 -0.32 -0.00 -1.23 -4.99 118.94 113.62 3h89 s TRP 193 Ca 0.37 -0.13 0.00 0.00 -0.00 0.00 0.00 56.10 56.34 3h89 s TRP 193 Cb 0.21 -1.61 0.00 0.00 -0.00 0.00 0.00 33.47 32.07 3h89 s TRP 193 CO 0.29 0.24 0.00 0.41 -0.00 0.00 0.00 176.95 177.90 3h89 n GLY 194 N 2.06 2.32 3.38 5.86 0.00 -0.87 -0.99 105.19 116.95 3h89 n GLY 194 Ca -0.17 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.02 3h89 n GLY 194 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h89 n MET 195 N 11.48 3.47 -2.10 1.61 2.81 0.04 -4.45 117.12 129.97 3h89 n MET 195 Ca 0.00 -4.01 -0.17 0.00 -1.81 0.00 0.00 57.70 51.70 3h89 n MET 195 Cb 0.00 -2.88 -0.03 0.00 -0.71 0.00 0.00 33.22 29.60 3h89 n MET 195 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h89 n GLY 196 N 3.53 0.21 0.02 3.03 0.00 -1.24 -1.61 105.19 109.13 3h89 n GLY 196 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.97 0.29 3.72 -0.02 0.00 -0.16 -4.47 105.19 103.58 3h89 n GLY 197 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.01 2.89 -0.04 1.61 1.51 -0.64 -1.64 117.35 119.03 3h89 s TYR 198 Ca 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3h89 s TYR 198 Cb 0.00 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 3h89 s TYR 198 CO 0.00 0.57 0.16 0.54 -1.11 0.00 0.00 175.55 175.70 3h89 s VAL 199 N -2.17 0.02 -0.62 0.71 0.11 0.20 -0.78 120.40 117.88 3h89 s VAL 199 Ca 0.32 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 3h89 s VAL 199 Cb -0.07 -0.28 0.16 0.00 -1.53 0.00 0.00 36.38 34.65 3h89 s VAL 199 CO 0.22 -0.10 0.54 -0.54 -3.33 0.00 0.00 175.10 171.89 3h89 s LYS 200 N -0.29 3.02 0.27 1.54 1.02 -1.26 -0.17 119.74 123.89 3h89 s LYS 200 Ca -0.04 -2.00 -0.29 0.00 0.02 0.00 0.00 55.97 53.66 3h89 s LYS 200 Cb -0.03 -4.21 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 3h89 s LYS 200 CO 0.01 -1.28 1.01 -1.64 -0.92 0.00 0.00 175.35 172.53 3h89 s MET 201 N 1.00 4.70 -0.01 1.68 -1.94 -0.55 -0.24 119.30 123.95 3h89 s MET 201 Ca 0.09 1.60 -0.33 0.00 -1.71 0.00 0.00 55.69 55.35 3h89 s MET 201 Cb -0.23 -3.15 -0.11 0.00 2.01 0.00 0.00 34.83 33.35 3h89 s MET 201 CO -0.02 0.33 1.88 0.00 -0.01 0.00 0.00 175.02 177.20 3h89 n ALA 202 N 1.18 1.29 -2.73 3.03 0.00 -0.87 0.20 120.51 122.60 3h89 n ALA 202 Ca -0.01 0.28 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 3h89 n ALA 202 Cb 0.47 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.28 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 3.79 3.03 -1.17 0.00 2.20 -0.79 -4.47 119.74 122.32 3h89 s LYS 203 Ca 0.89 -0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 56.03 3h89 s LYS 203 Cb -0.59 -2.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 3h89 s LYS 203 CO 0.46 0.69 0.75 -0.25 -0.36 0.00 0.00 175.35 176.64 3h89 n ASP 204 N 1.82 -5.43 -2.45 1.43 8.00 -1.26 -4.55 116.55 114.11 3h89 n ASP 204 Ca -0.17 -0.34 -0.27 0.00 0.71 0.00 0.00 54.79 54.72 3h89 n ASP 204 Cb 0.53 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.49 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 -3.81 3.44 -3.06 -1.24 5.12 -1.26 -4.90 116.66 110.95 3h89 n ARG 205 Ca -0.04 -4.48 -0.13 0.00 -1.93 0.00 0.00 57.85 51.28 3h89 n ARG 205 Cb 0.57 -2.25 0.07 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 -4.89 -3.67 5.56 1.74 -1.26 -3.52 116.66 110.11 3h89 n ARG 206 Ca 0.39 0.62 -0.27 0.00 -0.77 0.00 0.00 57.85 57.82 3h89 n ARG 206 Cb 0.68 -4.96 0.04 0.00 -1.02 0.00 0.00 32.46 27.19 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 -2.52 -4.02 -4.66 0.55 5.15 -1.26 -4.83 115.26 103.67 3h89 n ASN 207 Ca -0.20 -0.95 -0.48 0.00 -0.60 0.00 0.00 54.58 52.36 3h89 n ASN 207 Cb 0.62 -3.66 -0.05 0.00 -0.53 0.00 0.00 39.78 36.16 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 -0.86 1.20 -0.00 -1.23 -0.54 115.22 111.79 3h89 n HIS 208 Ca -0.16 0.32 -0.01 0.00 -0.00 0.00 0.00 57.72 57.87 3h89 n HIS 208 Cb 0.62 -2.51 -0.00 0.00 -0.00 0.00 0.00 29.99 28.10 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 0.79 -0.06 0.37 0.00 0.00 0.30 -2.15 105.19 104.43 3h89 n GLY 210 Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.84 0.87 -0.67 -0.61 5.03 -1.69 -1.89 117.51 116.72 3h89 h ILE 211 Ca -0.39 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 3h89 h ILE 211 Cb 1.25 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 35.24 3h89 h ILE 211 CO 0.38 0.11 0.00 0.00 -0.68 0.00 0.00 178.15 177.96 3h89 n ALA 212 N -2.46 2.48 0.07 1.87 0.00 -1.26 -4.39 120.51 116.81 3h89 n ALA 212 Ca 0.15 -1.23 -0.08 0.00 0.00 0.00 0.00 53.44 52.28 3h89 n ALA 212 Cb 0.42 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 3.96 0.05 -1.84 0.00 0.02 -1.64 -3.34 113.55 110.77 3h89 h SER 213 Ca 0.00 -0.06 -0.47 0.00 -0.84 0.00 0.00 61.79 60.43 3h89 h SER 213 Cb 0.97 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.09 3h89 h SER 213 CO 0.03 1.02 -1.15 0.00 -1.14 0.00 0.00 176.83 175.58 3h89 n ALA 214 N -2.38 2.48 -2.65 3.77 0.00 -1.26 -4.80 120.51 115.67 3h89 n ALA 214 Ca -0.01 -3.46 -0.37 0.00 0.00 0.00 0.00 53.44 49.60 3h89 n ALA 214 Cb 0.93 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.64 3.72 0.24 0.00 0.00 -1.26 -3.66 121.76 118.16 3h89 s ALA 215 Ca 0.38 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.75 3h89 s ALA 215 Cb 0.37 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 21.24 3h89 s ALA 215 CO -0.06 0.44 0.77 -1.54 0.00 0.00 0.00 175.76 175.36 3h89 s SER 216 N -0.75 -0.27 0.10 0.00 1.04 0.14 -1.26 113.70 112.72 3h89 s SER 216 Ca 0.20 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 3h89 s SER 216 Cb -0.15 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.66 3h89 s SER 216 CO 0.09 -1.21 0.34 -0.72 0.98 0.00 0.00 173.24 172.73 3h89 s TYR 217 N -3.75 -0.12 0.21 5.02 1.13 -0.96 -0.86 117.35 118.03 3h89 s TYR 217 Ca 0.10 -0.19 -0.05 0.00 -1.41 0.00 0.00 57.07 55.52 3h89 s TYR 217 Cb -0.04 0.17 -0.06 0.00 -1.10 0.00 0.00 41.96 40.93 3h89 s TYR 217 CO 0.04 -0.64 0.47 -1.25 -2.51 0.00 0.00 175.55 171.66 3h89 s PRO 218 N -3.63 3.65 -0.35 -3.49 0.04 -1.26 -0.94 135.00 129.02 3h89 s PRO 218 Ca 0.02 -0.01 -0.10 0.00 0.04 0.00 0.00 61.00 60.95 3h89 s PRO 218 Cb 0.02 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.84 3h89 s PRO 218 CO -0.10 0.35 0.17 0.95 0.04 0.00 0.00 177.00 178.41 3h89 s THR 219 N -1.84 4.38 -2.71 1.26 -4.23 -0.65 -4.90 115.64 106.95 3h89 s THR 219 Ca 0.43 -0.83 0.22 0.00 -1.18 0.00 0.00 61.69 60.32 3h89 s THR 219 Cb -0.11 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.49 3h89 s THR 219 CO 0.26 -0.16 1.19 1.33 -0.54 0.00 0.00 174.62 176.70