#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 -0.17 -0.04 0.00 -0.04 -1.26 -4.95 135.00 128.54 3h89 n PRO 2 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 3h89 n PRO 2 Cb 0.00 -2.02 -0.08 0.00 -0.04 0.00 0.00 33.50 31.36 3h89 n PRO 2 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h89 h ARG 3 N -1.35 0.48 -6.45 0.54 2.47 -2.02 -3.45 114.38 104.59 3h89 h ARG 3 Ca -0.44 -0.34 -0.62 0.00 -1.26 0.00 0.00 59.98 57.32 3h89 h ARG 3 Cb 1.29 0.06 -0.23 0.00 -1.65 0.00 0.00 29.97 29.43 3h89 h ARG 3 CO 0.38 0.96 -0.85 -1.12 0.56 0.00 0.00 179.97 179.90 3h89 s SER 4 N -6.50 2.85 -0.14 7.04 0.01 -1.26 -4.08 113.70 111.62 3h89 s SER 4 Ca -0.13 -0.66 -0.08 0.00 1.31 0.00 0.00 55.95 56.39 3h89 s SER 4 Cb 0.05 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.14 3h89 s SER 4 CO 0.80 0.14 0.33 -0.69 0.41 0.00 0.00 173.24 174.24 3h89 s VAL 5 N -1.00 -0.03 -0.32 3.43 1.01 -0.16 -4.96 120.40 118.37 3h89 s VAL 5 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3h89 s VAL 5 Cb -0.10 -0.49 0.14 0.00 0.00 0.00 0.00 36.38 35.93 3h89 s VAL 5 CO 0.04 0.04 0.28 -0.62 0.00 0.00 0.00 175.10 174.84 3h89 s ASP 6 N 1.23 2.03 0.03 3.32 -1.08 -1.26 -0.74 116.67 120.20 3h89 s ASP 6 Ca -0.09 -1.28 0.11 0.00 -0.52 0.00 0.00 52.55 50.78 3h89 s ASP 6 Cb -0.09 0.25 0.49 0.00 -1.46 0.00 0.00 42.92 42.11 3h89 s ASP 6 CO -0.10 -0.35 1.35 0.79 0.52 0.00 0.00 175.17 177.39 3h89 n TRP 7 N 4.83 0.10 0.18 -5.34 7.02 -0.63 -2.03 117.44 121.56 3h89 n TRP 7 Ca 0.03 0.04 0.03 0.00 -1.02 0.00 0.00 57.50 56.58 3h89 n TRP 7 Cb 0.44 -0.57 0.34 0.00 -2.42 0.00 0.00 31.31 29.10 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 0.00 -0.99 3.08 -1.95 -2.17 114.38 112.35 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 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3h89 h ARG 8 CO 0.00 0.40 -0.07 0.93 -1.07 0.00 0.00 179.97 180.16 3h89 h GLU 9 N 0.00 0.00 -0.25 0.04 5.08 -1.81 -2.98 114.58 114.65 3h89 h GLU 9 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h89 h GLU 9 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3h89 h GLU 9 CO 0.05 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.76 3h89 n LYS 10 N -3.24 2.14 -1.79 2.33 4.76 -0.86 -4.98 118.16 116.52 3h89 n LYS 10 Ca -0.00 -1.99 0.00 0.00 -2.87 0.00 0.00 58.31 53.45 3h89 n LYS 10 Cb 0.30 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.18 0.39 0.10 0.72 0.00 -1.13 -4.96 105.19 101.49 3h89 n GLY 11 Ca 0.15 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.33 1.61 -1.99 -1.71 -3.45 116.97 107.11 3h89 h TYR 12 Ca 0.00 0.00 -0.70 0.00 2.00 0.00 0.00 58.73 60.03 3h89 h TYR 12 Cb 0.80 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.27 3h89 h TYR 12 CO 0.00 0.00 -0.84 0.08 -0.00 0.00 0.00 178.16 177.40 3h89 s VAL 13 N -3.28 2.50 0.73 -2.88 1.01 -1.26 -3.67 120.40 113.55 3h89 s VAL 13 Ca 0.02 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3h89 s VAL 13 Cb 0.11 -1.93 0.09 0.00 0.00 0.00 0.00 36.38 34.65 3h89 s VAL 13 CO 0.76 0.56 1.03 0.42 0.00 0.00 0.00 175.10 177.87 3h89 s THR 14 N -0.68 2.25 0.92 3.92 -4.23 -1.26 -4.99 115.64 111.57 3h89 s THR 14 Ca 0.11 -0.36 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 3h89 s THR 14 Cb -0.10 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 70.99 3h89 s THR 14 CO 0.00 0.00 1.10 -2.84 -0.54 0.00 0.00 174.62 172.34 3h89 s PRO 15 N -5.26 1.01 0.36 3.99 0.02 -1.26 -4.94 135.00 128.92 3h89 s PRO 15 Ca 0.63 1.12 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 3h89 s PRO 15 Cb -0.08 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 3h89 s PRO 15 CO 0.45 -2.50 1.29 0.08 -0.33 0.00 0.00 177.00 175.99 3h89 s VAL 16 N -2.76 2.74 0.50 3.83 1.01 -1.26 -5.03 120.40 119.44 3h89 s VAL 16 Ca 0.65 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.39 3h89 s VAL 16 Cb -0.20 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3h89 s VAL 16 CO 0.58 0.14 0.25 -0.54 0.00 0.00 0.00 175.10 175.53 3h89 s LYS 17 N -1.98 2.24 -0.10 2.72 1.02 -1.26 -4.83 119.74 117.55 3h89 s LYS 17 Ca 0.52 -2.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.42 3h89 s LYS 17 Cb -0.38 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3h89 s LYS 17 CO 0.50 -0.43 -0.03 1.21 -0.92 0.00 0.00 175.35 175.67 3h89 s ASN 18 N -4.09 1.91 0.39 2.83 3.84 -1.26 -1.70 114.94 116.87 3h89 s ASN 18 Ca 0.28 -0.21 0.24 0.00 0.21 0.00 0.00 52.86 53.37 3h89 s ASN 18 Cb 0.00 -0.64 0.42 0.00 -0.55 0.00 0.00 41.25 40.48 3h89 s ASN 18 CO 0.17 -0.16 1.63 0.06 -2.79 0.00 0.00 177.10 176.00 3h89 h GLN 19 N 8.25 0.00 0.00 0.43 3.07 -1.70 -3.48 115.11 121.69 3h89 h GLN 19 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.50 3h89 h GLN 19 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 3h89 h GLN 19 CO 0.33 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.66 3h89 n GLY 20 N 1.14 0.11 2.80 0.06 0.00 -1.26 -3.92 105.19 104.11 3h89 n GLY 20 Ca 0.04 -0.95 -0.42 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 0.00 3.89 -3.69 1.61 6.02 -1.26 -4.82 117.38 119.13 3h89 n GLN 21 Ca 0.00 -3.61 -0.10 0.00 -0.01 0.00 0.00 57.00 53.28 3h89 n GLN 21 Cb 0.00 -2.83 -0.10 0.00 1.02 0.00 0.00 30.24 28.32 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 4.14 2.44 1.85 0.00 0.00 0.12 -4.39 105.19 109.35 3h89 n GLY 23 Ca -0.22 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 2.62 5.36 -0.04 1.61 3.41 -1.26 -3.34 113.62 121.97 3h89 n SER 24 Ca 0.31 -2.93 0.15 0.00 -0.26 0.00 0.00 58.87 56.14 3h89 n SER 24 Cb 0.66 -0.69 0.58 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.24 0.75 -0.05 0.00 5.08 -1.83 -0.26 115.95 119.87 3h89 h TRP 26 Ca 0.26 -0.01 -0.16 0.00 1.08 0.00 0.00 58.89 60.06 3h89 h TRP 26 Cb 0.71 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 3h89 h TRP 26 CO -0.00 0.53 -0.67 0.00 -1.28 0.00 0.00 178.44 177.02 3h89 h ALA 27 N 1.55 0.78 0.00 0.11 0.00 -1.07 -2.11 119.26 118.51 3h89 h ALA 27 Ca 0.20 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3h89 h ALA 27 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h89 h ALA 27 CO -0.03 0.78 -0.75 0.74 0.00 0.00 0.00 179.25 179.98 3h89 h PHE 28 N 0.15 0.00 0.00 0.00 -1.00 -0.91 -1.63 116.94 113.56 3h89 h PHE 28 Ca -0.01 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.52 3h89 h PHE 28 Cb 1.20 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.78 3h89 h PHE 28 CO 0.02 0.75 -0.98 1.03 -1.61 0.00 0.00 178.31 177.53 3h89 h SER 29 N 0.00 0.85 -0.05 2.17 0.87 -1.05 -2.46 113.55 113.87 3h89 h SER 29 Ca -0.01 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 59.80 3h89 h SER 29 Cb 1.48 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3h89 h SER 29 CO 0.10 1.49 0.02 0.00 -0.53 0.00 0.00 176.83 177.90 3h89 h ALA 30 N 0.38 0.07 -0.65 6.23 0.00 -1.37 -2.08 119.26 121.84 3h89 h ALA 30 Ca -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3h89 h ALA 30 Cb 1.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 3h89 h ALA 30 CO 0.19 -0.32 0.22 1.79 0.00 0.00 0.00 179.25 181.14 3h89 h THR 31 N -0.11 1.24 -0.64 0.00 1.35 -1.39 -0.34 112.91 113.01 3h89 h THR 31 Ca 0.02 -0.78 0.07 0.00 -0.55 0.00 0.00 66.41 65.16 3h89 h THR 31 Cb 0.22 0.50 -0.06 0.00 -1.73 0.00 0.00 68.15 67.08 3h89 h THR 31 CO -0.00 0.31 0.33 1.23 -0.25 0.00 0.00 175.52 177.14 3h89 h GLY 32 N 1.04 0.94 0.96 5.82 0.00 -1.25 0.42 103.07 111.01 3h89 h GLY 32 Ca 0.22 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3h89 h GLY 32 CO -0.01 0.10 -0.17 0.00 0.00 0.00 0.00 176.54 176.46 3h89 h ALA 33 N 1.36 0.48 -0.59 3.60 0.00 -0.75 -2.43 119.26 120.93 3h89 h ALA 33 Ca 0.30 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3h89 h ALA 33 Cb 0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h89 h ALA 33 CO -0.22 0.40 0.09 -0.07 0.00 0.00 0.00 179.25 179.46 3h89 h LEU 34 N 0.49 0.94 -1.72 0.00 3.38 -0.59 -0.55 115.31 117.26 3h89 h LEU 34 Ca 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3h89 h LEU 34 Cb 0.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3h89 h LEU 34 CO 0.05 0.97 0.15 -0.33 0.09 0.00 0.00 178.44 179.36 3h89 h GLU 35 N 0.88 0.33 -0.05 1.13 5.08 -0.10 0.29 114.58 122.14 3h89 h GLU 35 Ca 0.18 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 3h89 h GLU 35 Cb 0.42 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.61 3h89 h GLU 35 CO 0.01 0.24 -0.69 0.78 -1.00 0.00 0.00 179.01 178.35 3h89 h GLY 36 N 0.38 0.63 1.46 -3.84 0.00 -0.84 -2.98 103.07 97.87 3h89 h GLY 36 Ca 0.09 -0.99 -0.23 0.00 0.00 0.00 0.00 47.33 46.19 3h89 h GLY 36 CO -0.02 0.88 -0.96 1.46 0.00 0.00 0.00 176.54 177.91 3h89 h GLN 37 N 0.16 0.48 -0.37 4.80 1.08 -0.55 -2.29 115.11 118.43 3h89 h GLN 37 Ca -0.07 -0.51 -0.04 0.00 -1.45 0.00 0.00 58.65 56.58 3h89 h GLN 37 Cb 1.36 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.92 3h89 h GLN 37 CO 0.14 1.16 0.06 0.52 -0.95 0.00 0.00 178.83 179.76 3h89 h MET 38 N 0.28 0.55 -0.25 1.46 2.86 -0.56 -2.30 114.93 116.96 3h89 h MET 38 Ca -0.09 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 3h89 h MET 38 Cb 1.59 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.16 3h89 h MET 38 CO 0.17 0.53 -0.37 0.35 1.06 0.00 0.00 176.91 178.65 3h89 h PHE 39 N 0.53 0.86 -0.14 -0.22 3.57 -1.46 0.82 116.94 120.90 3h89 h PHE 39 Ca 0.12 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 3h89 h PHE 39 Cb 0.25 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3h89 h PHE 39 CO 0.01 1.05 0.07 -0.09 -2.23 0.00 0.00 178.31 177.12 3h89 h ARG 40 N 0.42 0.19 0.00 1.11 2.43 -1.07 0.28 114.38 117.74 3h89 h ARG 40 Ca 0.03 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3h89 h ARG 40 Cb 0.96 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3h89 h ARG 40 CO 0.09 0.15 -0.38 -0.22 -1.51 0.00 0.00 179.97 178.10 3h89 h LYS 41 N 0.20 0.00 0.00 0.20 3.64 -1.25 -3.41 116.57 115.94 3h89 h LYS 41 Ca 0.05 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 3h89 h LYS 41 Cb 0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3h89 h LYS 41 CO -0.01 0.40 -1.21 1.79 -2.27 0.00 0.00 179.45 178.15 3h89 h THR 42 N -1.00 0.93 0.00 1.00 1.35 -0.86 -3.48 112.91 110.85 3h89 h THR 42 Ca -0.07 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3h89 h THR 42 Cb 0.59 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 3h89 h THR 42 CO -0.04 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3h89 n GLY 43 N 1.39 0.75 3.16 5.82 0.00 0.99 -5.04 105.19 112.27 3h89 n GLY 43 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.44 2.92 -0.39 1.61 0.52 -1.26 -5.02 118.95 116.89 3h89 s ARG 44 Ca 0.00 -0.82 -0.22 0.00 -0.52 0.00 0.00 55.73 54.17 3h89 s ARG 44 Cb 0.00 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.14 3h89 s ARG 44 CO 0.00 0.00 0.71 -1.17 0.02 0.00 0.00 175.30 174.86 3h89 s LEU 45 N 0.77 4.27 -0.11 2.53 2.96 -1.26 -4.11 118.68 123.73 3h89 s LEU 45 Ca -0.09 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 3h89 s LEU 45 Cb -0.16 -2.87 0.02 0.00 0.50 0.00 0.00 46.19 43.68 3h89 s LEU 45 CO -0.01 -0.73 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.52 3h89 s ILE 46 N 2.96 1.40 0.21 6.68 1.01 -1.26 -5.10 121.20 127.08 3h89 s ILE 46 Ca 0.27 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.04 3h89 s ILE 46 Cb -0.14 -1.30 -0.10 0.00 0.01 0.00 0.00 42.46 40.94 3h89 s ILE 46 CO 0.18 0.42 1.54 -0.55 0.00 0.00 0.00 174.94 176.53 3h89 s SER 47 N 1.11 6.57 0.05 3.58 0.15 -1.26 -4.79 113.70 119.11 3h89 s SER 47 Ca -0.05 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.29 3h89 s SER 47 Cb -0.14 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 3h89 s SER 47 CO -0.03 -0.81 0.16 -0.76 1.20 0.00 0.00 173.24 173.00 3h89 s LEU 48 N 0.51 4.16 -0.04 3.45 1.43 -1.26 -0.33 118.68 126.59 3h89 s LEU 48 Ca 0.66 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 3h89 s LEU 48 Cb -0.44 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 3h89 s LEU 48 CO 0.37 0.19 1.34 -0.55 0.23 0.00 0.00 176.35 177.93 3h89 s SER 49 N -2.32 6.91 0.01 2.29 0.15 -0.38 -4.12 113.70 116.25 3h89 s SER 49 Ca 0.31 1.97 0.10 0.00 0.70 0.00 0.00 55.95 59.03 3h89 s SER 49 Cb -0.13 -2.55 -0.23 0.00 -1.71 0.00 0.00 66.02 61.40 3h89 s SER 49 CO 0.24 -0.70 0.87 -0.33 1.20 0.00 0.00 173.24 174.51 3h89 h GLU 50 N 7.89 0.02 -0.68 5.44 3.07 -1.88 -3.28 114.58 125.15 3h89 h GLU 50 Ca -0.35 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 3h89 h GLU 50 Cb 1.16 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 3h89 h GLU 50 CO 0.91 0.70 0.37 0.37 -1.40 0.00 0.00 179.01 179.96 3h89 h GLN 51 N 0.00 0.94 -0.72 2.33 5.75 -1.84 0.34 115.11 121.92 3h89 h GLN 51 Ca -0.20 -0.11 0.09 0.00 -0.15 0.00 0.00 58.65 58.29 3h89 h GLN 51 Cb 1.94 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 30.23 3h89 h GLN 51 CO 0.10 0.71 0.37 -0.97 -2.65 0.00 0.00 178.83 176.39 3h89 h ASN 52 N 0.93 0.50 -0.27 -0.69 -0.00 -1.79 0.18 115.58 114.43 3h89 h ASN 52 Ca 0.24 0.06 -0.15 0.00 -0.00 0.00 0.00 56.30 56.45 3h89 h ASN 52 Cb 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 3h89 h ASN 52 CO -0.04 0.29 -0.36 -0.07 -0.00 0.00 0.00 177.43 177.25 3h89 h LEU 53 N 0.63 0.86 -0.83 0.34 3.38 -1.28 -2.01 115.31 116.40 3h89 h LEU 53 Ca 0.35 -0.38 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3h89 h LEU 53 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3h89 h LEU 53 CO -0.26 1.13 -0.16 0.58 0.09 0.00 0.00 178.44 179.82 3h89 h VAL 54 N 0.67 1.26 0.00 1.22 2.07 0.99 -2.87 116.25 119.59 3h89 h VAL 54 Ca 0.06 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3h89 h VAL 54 Cb 0.92 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3h89 h VAL 54 CO 0.08 0.41 -1.15 0.47 0.02 0.00 0.00 177.57 177.40 3h89 n ASP 55 N -4.15 0.59 -0.01 0.57 8.00 0.49 -4.10 116.55 117.94 3h89 n ASP 55 Ca 0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3h89 n ASP 55 Cb 0.38 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 3h89 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h89 n SER 57 N -0.23 4.46 -0.05 0.00 3.41 -1.08 -4.49 113.62 115.65 3h89 n SER 57 Ca 0.00 -3.58 -0.13 0.00 -0.26 0.00 0.00 58.87 54.90 3h89 n SER 57 Cb 0.01 -0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 63.03 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 1.30 0.32 0.70 5.00 0.00 -1.86 -1.66 103.07 106.88 3h89 h GLY 58 Ca 0.61 -0.33 0.14 0.00 0.00 0.00 0.00 47.33 47.74 3h89 h GLY 58 CO 1.15 0.30 0.51 -2.55 0.00 0.00 0.00 176.54 175.95 3h89 h PRO 59 N -0.09 0.51 0.00 4.80 0.11 -1.87 0.54 132.00 135.99 3h89 h PRO 59 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3h89 h PRO 59 Cb 0.64 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3h89 h PRO 59 CO 0.03 0.34 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 3h89 n GLN 60 N -4.50 0.15 0.00 1.05 3.00 -1.20 -4.89 117.38 110.99 3h89 n GLN 60 Ca 0.14 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3h89 n GLN 60 Cb 0.47 -1.73 0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 0.67 1.28 3.84 1.08 0.00 0.18 -4.84 105.19 107.40 3h89 n GLY 61 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.39 6.24 -0.34 1.61 0.01 -0.63 -4.88 114.94 115.56 3h89 s ASN 62 Ca 0.00 1.60 0.08 0.00 -0.71 0.00 0.00 52.86 53.83 3h89 s ASN 62 Cb 0.00 -2.50 0.45 0.00 0.41 0.00 0.00 41.25 39.61 3h89 s ASN 62 CO 0.00 -0.85 1.14 -0.62 -1.51 0.00 0.00 177.10 175.26 3h89 n GLU 63 N -2.06 3.24 0.00 -0.60 -0.58 0.12 -4.16 120.64 116.59 3h89 n GLU 63 Ca 0.07 -4.17 0.00 0.00 -0.42 0.00 0.00 57.16 52.64 3h89 n GLU 63 Cb 0.54 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 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 -0.58 3.55 0.08 0.62 0.00 -1.25 -0.79 105.19 106.81 3h89 n GLY 64 Ca 0.37 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.68 3.02 0.00 0.00 3.02 0.02 -0.70 115.26 119.95 3h89 n ASN 66 Ca 0.17 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 3h89 n ASN 66 Cb 0.11 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 1.32 2.80 0.00 7.41 0.00 -1.21 -4.91 105.19 110.61 3h89 n GLY 67 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.31 -1.36 3.06 -0.02 0.00 -1.26 0.12 105.19 104.42 3h89 n GLY 68 Ca 0.00 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 2.08 0.54 0.99 1.43 -1.26 -4.79 118.68 117.67 3h89 s LEU 69 Ca 0.00 -0.28 0.21 0.00 -1.03 0.00 0.00 54.13 53.03 3h89 s LEU 69 Cb 0.00 -0.49 1.47 0.00 0.03 0.00 0.00 46.19 47.19 3h89 s LEU 69 CO 0.00 0.07 2.18 0.24 0.23 0.00 0.00 176.35 179.07 3h89 h MET 70 N 5.53 0.00 -0.08 1.70 2.86 -1.97 -0.71 114.93 122.26 3h89 h MET 70 Ca -0.33 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.14 3h89 h MET 70 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3h89 h MET 70 CO 0.47 0.01 -0.67 -0.44 1.06 0.00 0.00 176.91 177.34 3h89 h ASP 71 N 0.00 0.41 -0.51 1.22 3.32 -1.96 -0.25 116.42 118.66 3h89 h ASP 71 Ca -0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 3h89 h ASP 71 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3h89 h ASP 71 CO 0.00 0.97 0.21 1.88 -1.72 0.00 0.00 179.24 180.58 3h89 h TYR 72 N 0.25 0.77 -0.22 4.55 -1.99 -1.48 0.49 116.97 119.33 3h89 h TYR 72 Ca -0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3h89 h TYR 72 Cb 1.22 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 3h89 h TYR 72 CO 0.04 0.63 0.12 0.00 -0.00 0.00 0.00 178.16 178.94 3h89 h ALA 73 N 1.05 0.29 0.08 3.88 0.00 -1.12 0.81 119.26 124.24 3h89 h ALA 73 Ca 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3h89 h ALA 73 Cb 0.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3h89 h ALA 73 CO -0.02 -0.17 -0.28 0.74 0.00 0.00 0.00 179.25 179.53 3h89 h PHE 74 N 0.24 -0.75 -0.97 0.00 0.04 -0.62 -1.25 116.94 113.63 3h89 h PHE 74 Ca 0.08 0.02 0.21 0.00 2.80 0.00 0.00 57.97 61.07 3h89 h PHE 74 Cb 0.09 0.32 -0.09 0.00 2.20 0.00 0.00 35.95 38.47 3h89 h PHE 74 CO -0.03 -0.38 0.62 0.37 -0.60 0.00 0.00 178.31 178.29 3h89 h GLN 75 N -0.47 0.55 -0.11 1.51 5.75 0.33 -1.75 115.11 120.92 3h89 h GLN 75 Ca 0.04 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h89 h GLN 75 Cb 0.52 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 3h89 h GLN 75 CO -0.19 0.37 0.02 -0.92 -2.65 0.00 0.00 178.83 175.46 3h89 h TYR 76 N 0.57 0.20 -0.77 3.99 3.20 0.30 -1.37 116.97 123.09 3h89 h TYR 76 Ca 0.54 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.46 3h89 h TYR 76 Cb 1.09 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 3h89 h TYR 76 CO -0.00 0.38 0.51 0.28 -1.64 0.00 0.00 178.16 177.68 3h89 h VAL 77 N -0.04 0.97 0.38 1.81 2.07 -0.58 0.36 116.25 121.22 3h89 h VAL 77 Ca 0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3h89 h VAL 77 Cb 0.29 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3h89 h VAL 77 CO 0.00 0.13 -0.18 -0.61 0.02 0.00 0.00 177.57 176.93 3h89 h GLN 78 N 0.74 -0.49 -0.48 1.57 4.15 -1.32 -1.41 115.11 117.87 3h89 h GLN 78 Ca 0.35 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.89 3h89 h GLN 78 Cb 0.39 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 3h89 h GLN 78 CO -0.13 -0.33 -0.00 -0.44 -1.93 0.00 0.00 178.83 176.00 3h89 h ASP 79 N -0.85 -0.21 0.30 -0.69 3.32 -1.04 -0.74 116.42 116.49 3h89 h ASP 79 Ca -0.05 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3h89 h ASP 79 Cb 0.39 0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3h89 h ASP 79 CO 0.09 -0.07 -0.10 -1.13 -1.72 0.00 0.00 179.24 176.30 3h89 h ASN 80 N 0.11 0.00 -0.31 6.45 -1.24 -0.38 -3.46 115.58 116.74 3h89 h ASN 80 Ca 0.24 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 3h89 h ASN 80 Cb 0.36 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.40 3h89 h ASN 80 CO -0.40 0.10 -0.06 0.61 -1.29 0.00 0.00 177.43 176.39 3h89 n GLY 81 N -0.81 0.36 0.00 1.57 0.00 -0.29 -4.97 105.19 101.05 3h89 n GLY 81 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.49 2.73 3.07 -0.02 0.00 -0.62 -5.03 105.19 103.84 3h89 n GLY 82 Ca -0.03 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 1.25 0.58 0.99 2.96 -1.11 -4.63 118.68 118.71 3h89 s LEU 83 Ca 0.00 0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3h89 s LEU 83 Cb 0.00 0.67 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 3h89 s LEU 83 CO 0.00 -0.07 0.93 -1.81 -1.32 0.00 0.00 176.35 174.08 3h89 s ASP 84 N 0.12 6.07 0.56 3.68 1.01 -1.26 -1.09 116.67 125.75 3h89 s ASP 84 Ca -0.00 1.11 -0.16 0.00 0.71 0.00 0.00 52.55 54.21 3h89 s ASP 84 Cb -0.01 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 3h89 s ASP 84 CO 0.00 -0.85 1.03 -0.94 0.21 0.00 0.00 175.17 174.63 3h89 s SER 85 N -4.19 6.10 0.26 0.27 1.04 -1.16 -1.25 113.70 114.77 3h89 s SER 85 Ca 0.52 1.73 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 3h89 s SER 85 Cb -0.11 -2.53 0.40 0.00 0.10 0.00 0.00 66.02 63.89 3h89 s SER 85 CO 0.49 -0.95 1.86 -0.08 0.98 0.00 0.00 173.24 175.54 3h89 h GLU 86 N 0.65 1.00 -0.25 4.02 4.57 -0.83 -1.84 114.58 121.90 3h89 h GLU 86 Ca -0.47 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 57.58 3h89 h GLU 86 Cb 1.21 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 3h89 h GLU 86 CO 0.59 0.66 -0.13 1.49 -1.18 0.00 0.00 179.01 180.44 3h89 h GLU 87 N 1.03 0.42 0.00 1.92 4.81 -1.93 -3.00 114.58 117.83 3h89 h GLU 87 Ca 0.42 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.37 3h89 h GLU 87 Cb 0.24 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3h89 h GLU 87 CO -0.19 0.56 -1.16 0.66 -0.73 0.00 0.00 179.01 178.14 3h89 h SER 88 N 0.39 0.00 -2.27 1.04 4.64 -1.78 -3.40 113.55 112.17 3h89 h SER 88 Ca 0.07 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.81 3h89 h SER 88 Cb 0.47 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.16 3h89 h SER 88 CO 0.03 0.61 -0.86 0.00 -0.87 0.00 0.00 176.83 175.75 3h89 n TYR 89 N -3.02 1.25 -1.56 4.77 4.19 -0.75 -5.00 117.16 117.03 3h89 n TYR 89 Ca -0.06 -3.80 -0.40 0.00 3.31 0.00 0.00 57.90 56.95 3h89 n TYR 89 Cb 0.83 -0.34 0.03 0.00 0.49 0.00 0.00 39.34 40.35 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 1.57 0.94 -2.58 2.98 -0.02 -1.14 -4.40 135.00 132.36 3h89 n PRO 90 Ca 0.25 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3h89 n PRO 90 Cb 0.46 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.45 3.46 -0.79 6.00 5.04 -1.26 -4.70 117.35 123.64 3h89 s TYR 91 Ca 0.67 1.47 0.08 0.00 -2.44 0.00 0.00 57.07 56.85 3h89 s TYR 91 Cb -0.51 -3.28 0.02 0.00 0.35 0.00 0.00 41.96 38.55 3h89 s TYR 91 CO 0.54 -0.66 0.62 0.39 -1.34 0.00 0.00 175.55 175.11 3h89 n GLU 92 N 4.49 1.39 -2.33 4.97 1.02 -1.26 -5.00 120.64 123.92 3h89 n GLU 92 Ca 0.08 -0.69 -0.19 0.00 -0.02 0.00 0.00 57.16 56.34 3h89 n GLU 92 Cb 0.48 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.01 -0.62 -3.64 0.62 0.00 -1.26 -4.94 120.51 110.66 3h89 n ALA 93 Ca 0.04 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 3h89 n ALA 93 Cb 0.17 -2.05 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 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 -2.93 0.00 -0.02 0.00 -1.32 -1.26 -4.65 115.64 105.46 3h89 s THR 94 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 3h89 s THR 94 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 3h89 s THR 94 CO 0.00 0.00 1.53 -0.70 -2.21 0.00 0.00 174.62 173.24 3h89 s GLU 95 N 0.99 4.22 0.50 7.08 2.12 -1.26 -4.99 118.70 127.36 3h89 s GLU 95 Ca -0.05 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.38 3h89 s GLU 95 Cb -0.05 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.60 3h89 s GLU 95 CO -0.11 -0.72 0.04 0.39 -0.54 0.00 0.00 175.26 174.32 3h89 n GLU 96 N 6.18 0.79 -2.24 4.30 -0.58 -1.26 -5.07 120.64 122.76 3h89 n GLU 96 Ca 0.15 -3.60 -0.36 0.00 -0.42 0.00 0.00 57.16 52.93 3h89 n GLU 96 Cb 0.43 0.91 -0.00 0.00 -0.57 0.00 0.00 31.44 32.21 3h89 n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h89 s SER 97 N -3.77 5.93 0.17 1.62 1.04 -1.26 -4.61 113.70 112.82 3h89 s SER 97 Ca 0.03 2.27 -0.32 0.00 0.48 0.00 0.00 55.95 58.41 3h89 s SER 97 Cb -0.00 -2.59 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 3h89 s SER 97 CO 0.02 -1.08 1.69 0.00 0.98 0.00 0.00 173.24 174.85 3h89 n LYS 99 N 4.35 1.39 -1.67 0.00 5.02 -1.26 -5.04 118.16 120.94 3h89 n LYS 99 Ca 0.16 -3.07 -0.44 0.00 -2.02 0.00 0.00 58.31 52.94 3h89 n LYS 99 Cb 0.37 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 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 -0.64 2.11 -3.63 2.13 9.36 -1.26 -4.97 117.16 120.26 3h89 n TYR 100 Ca 0.18 0.52 -0.28 0.00 3.32 0.00 0.00 57.90 61.63 3h89 n TYR 100 Cb 0.84 -2.41 -0.16 0.00 -0.63 0.00 0.00 39.34 36.98 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 -0.09 3.36 0.66 2.98 3.84 -1.26 -5.02 114.94 119.41 3h89 s ASN 101 Ca 0.61 -1.19 0.29 0.00 0.21 0.00 0.00 52.86 52.79 3h89 s ASN 101 Cb -0.62 -0.49 1.58 0.00 -0.55 0.00 0.00 41.25 41.17 3h89 s ASN 101 CO 0.57 -0.40 1.90 1.55 -2.79 0.00 0.00 177.10 177.93 3h89 h PRO 102 N 8.31 0.00 0.00 0.43 0.13 -1.98 0.41 132.00 139.30 3h89 h PRO 102 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h89 h PRO 102 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3h89 h PRO 102 CO 0.41 0.00 0.00 -0.22 -0.23 0.00 0.00 178.00 177.96 3h89 h LYS 103 N 0.00 0.00 -0.27 0.86 3.64 -2.01 -2.46 116.57 116.34 3h89 h LYS 103 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h89 h LYS 103 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 3h89 h LYS 103 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 3h89 n TYR 104 N -2.90 0.38 -2.07 1.91 4.01 0.13 -5.02 117.16 113.61 3h89 n TYR 104 Ca -0.01 -0.52 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 3h89 n TYR 104 Cb 0.20 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.06 6.71 0.00 7.72 0.15 -0.93 -2.96 113.70 123.33 3h89 s SER 105 Ca 0.19 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.55 3h89 s SER 105 Cb 0.11 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3h89 s SER 105 CO 0.12 -0.60 0.09 1.33 1.20 0.00 0.00 173.24 175.39 3h89 n VAL 106 N 1.08 0.01 -4.14 4.45 0.24 -0.25 -4.92 118.33 114.79 3h89 n VAL 106 Ca 0.01 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 3h89 n VAL 106 Cb 0.41 1.82 -0.09 0.00 -1.47 0.00 0.00 33.84 34.51 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 -0.01 0.79 0.02 2.33 0.00 -1.21 -5.03 121.76 118.65 3h89 s ALA 107 Ca 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 51.96 50.29 3h89 s ALA 107 Cb 0.00 1.29 0.07 0.00 0.00 0.00 0.00 23.12 24.48 3h89 s ALA 107 CO 0.00 -0.66 0.91 -1.71 0.00 0.00 0.00 175.76 174.30 3h89 n ASN 108 N -0.30 -0.98 -3.58 0.00 4.05 -1.26 -2.75 115.26 110.45 3h89 n ASN 108 Ca 0.01 -1.30 -0.11 0.00 0.45 0.00 0.00 54.58 53.64 3h89 n ASN 108 Cb 0.65 1.54 -0.05 0.00 1.23 0.00 0.00 39.78 43.15 3h89 n ASN 108 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 3h89 s ASP 109 N -3.04 -0.37 -0.53 1.20 1.47 -1.26 -4.61 116.67 109.53 3h89 s ASP 109 Ca 0.21 0.40 0.03 0.00 1.18 0.00 0.00 52.55 54.37 3h89 s ASP 109 Cb -0.01 0.31 0.42 0.00 -0.34 0.00 0.00 42.92 43.30 3h89 s ASP 109 CO 0.01 -0.35 1.50 1.07 0.68 0.00 0.00 175.17 178.08 3h89 n THR 110 N 0.71 2.92 0.00 2.11 5.66 0.20 -4.12 114.28 121.76 3h89 n THR 110 Ca -0.10 -4.21 0.00 0.00 -3.05 0.00 0.00 64.05 56.69 3h89 n THR 110 Cb 0.58 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 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 -0.64 0.42 3.49 1.09 0.00 -1.24 -4.85 105.19 103.47 3h89 n GLY 111 Ca 0.48 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.39 -0.41 -0.05 1.61 -0.71 -1.26 -1.56 117.98 115.21 3h89 s PHE 112 Ca 0.00 0.23 0.04 0.00 -1.04 0.00 0.00 56.93 56.16 3h89 s PHE 112 Cb 0.00 0.56 -0.00 0.00 -1.21 0.00 0.00 43.02 42.36 3h89 s PHE 112 CO 0.00 -0.69 -0.18 0.08 -1.34 0.00 0.00 175.22 173.09 3h89 s VAL 113 N -3.39 1.50 -0.28 -2.49 1.01 -0.12 -4.91 120.40 111.72 3h89 s VAL 113 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3h89 s VAL 113 Cb -0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3h89 s VAL 113 CO -0.10 0.43 0.23 -1.81 0.00 0.00 0.00 175.10 173.85 3h89 s ASP 114 N 0.05 6.06 0.42 3.32 1.01 -1.26 -2.15 116.67 124.13 3h89 s ASP 114 Ca -0.05 -0.00 -0.24 0.00 0.71 0.00 0.00 52.55 52.97 3h89 s ASP 114 Cb -0.12 -2.14 -0.08 0.00 1.01 0.00 0.00 42.92 41.59 3h89 s ASP 114 CO 0.03 -0.09 1.14 -0.63 0.21 0.00 0.00 175.17 175.82 3h89 s ILE 115 N 1.81 3.27 0.51 0.77 -1.09 -0.82 -4.99 121.20 120.67 3h89 s ILE 115 Ca 0.08 1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 59.28 3h89 s ILE 115 Cb -0.16 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 3h89 s ILE 115 CO 0.11 0.03 1.38 -2.65 -1.23 0.00 0.00 174.94 172.58 3h89 n PRO 116 N -0.16 1.87 -0.94 2.79 -0.02 -1.26 -4.66 135.00 132.62 3h89 n PRO 116 Ca 0.06 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 61.95 3h89 n PRO 116 Cb 0.48 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 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 -0.73 2.58 -3.81 -0.52 5.02 -1.26 -4.56 118.16 114.88 3h89 n LYS 117 Ca 0.09 -1.63 -0.13 0.00 -2.02 0.00 0.00 58.31 54.62 3h89 n LYS 117 Cb 0.43 -2.50 -0.15 0.00 -0.02 0.00 0.00 35.03 32.80 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 2.72 0.00 0.46 1.97 1.11 -1.25 -4.80 119.66 119.87 3h89 s GLN 118 Ca 0.52 0.13 0.16 0.00 0.01 0.00 0.00 55.36 56.17 3h89 s GLN 118 Cb 0.15 -0.12 1.11 0.00 -1.01 0.00 0.00 33.01 33.14 3h89 s GLN 118 CO -0.04 -0.09 2.01 0.93 0.01 0.00 0.00 175.29 178.11 3h89 h GLU 119 N 6.73 0.29 -0.33 2.91 5.08 -1.87 -0.87 114.58 126.52 3h89 h GLU 119 Ca -0.35 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3h89 h GLU 119 Cb 1.16 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3h89 h GLU 119 CO 0.48 0.19 0.03 -0.22 -1.00 0.00 0.00 179.01 178.49 3h89 h LYS 120 N 0.30 0.13 -0.09 2.33 3.11 -1.96 -0.96 116.57 119.43 3h89 h LYS 120 Ca 0.23 -0.01 -0.16 0.00 -2.81 0.00 0.00 60.65 57.90 3h89 h LYS 120 Cb 0.52 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 3h89 h LYS 120 CO -0.05 0.09 -0.64 0.00 -2.81 0.00 0.00 179.45 176.04 3h89 h ALA 121 N 1.27 0.73 -0.71 5.00 0.00 -1.49 -3.00 119.26 121.06 3h89 h ALA 121 Ca 0.16 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3h89 h ALA 121 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3h89 h ALA 121 CO -0.24 0.74 0.33 1.25 0.00 0.00 0.00 179.25 181.33 3h89 h LEU 122 N 0.25 0.94 -0.47 0.00 5.85 -0.93 -1.66 115.31 119.30 3h89 h LEU 122 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3h89 h LEU 122 Cb 1.18 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3h89 h LEU 122 CO 0.11 0.81 0.31 -0.03 -0.34 0.00 0.00 178.44 179.30 3h89 h MET 123 N 0.99 0.62 -0.73 1.25 4.05 -1.10 0.77 114.93 120.78 3h89 h MET 123 Ca 0.24 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 3h89 h MET 123 Cb 0.13 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 3h89 h MET 123 CO -0.03 0.42 0.32 0.87 0.23 0.00 0.00 176.91 178.72 3h89 h LYS 124 N 0.63 1.07 0.46 0.39 1.57 -1.37 -0.26 116.57 119.07 3h89 h LYS 124 Ca 0.17 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3h89 h LYS 124 Cb -0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3h89 h LYS 124 CO -0.04 0.86 -0.31 0.00 -0.57 0.00 0.00 179.45 179.40 3h89 h ALA 125 N 1.16 -0.75 -0.72 3.86 0.00 -0.80 -0.74 119.26 121.27 3h89 h ALA 125 Ca 0.25 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3h89 h ALA 125 Cb 0.17 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3h89 h ALA 125 CO -0.03 -0.94 0.27 0.28 0.00 0.00 0.00 179.25 178.83 3h89 h VAL 126 N -0.74 0.66 0.00 0.00 2.07 -0.56 0.31 116.25 117.97 3h89 h VAL 126 Ca -0.05 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3h89 h VAL 126 Cb 0.62 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3h89 h VAL 126 CO 0.04 0.07 -0.40 0.00 0.02 0.00 0.00 177.57 177.30 3h89 h ALA 127 N 1.53 1.20 0.00 1.67 0.00 -0.69 -3.15 119.26 119.81 3h89 h ALA 127 Ca 0.39 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3h89 h ALA 127 Cb 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3h89 h ALA 127 CO -0.40 0.50 -1.87 0.25 0.00 0.00 0.00 179.25 177.73 3h89 n THR 128 N -3.85 0.74 -0.11 0.00 -2.24 -0.32 -4.81 114.28 103.69 3h89 n THR 128 Ca -0.01 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.02 3h89 n THR 128 Cb 0.46 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.40 1.52 0.00 2.28 0.31 1.00 -5.09 118.33 115.95 3h89 n VAL 129 Ca -0.18 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3h89 n VAL 129 Cb 0.83 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.38 0.60 3.73 2.92 0.00 -1.19 -4.94 105.19 107.69 3h89 n GLY 130 Ca -0.38 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 2.60 -5.00 1.61 -0.02 -1.26 -4.45 135.00 128.48 3h89 n PRO 131 Ca 0.00 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.09 3h89 n PRO 131 Cb 0.00 -2.70 -0.14 0.00 -0.02 0.00 0.00 33.50 30.63 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 0.22 2.72 -0.01 4.25 -1.09 -0.47 -4.76 121.20 122.06 3h89 s ILE 132 Ca 0.67 -0.83 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 3h89 s ILE 132 Cb -0.53 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 3h89 s ILE 132 CO 0.45 0.57 1.00 -0.44 -1.23 0.00 0.00 174.94 175.30 3h89 s SER 133 N -0.38 7.33 0.04 3.58 0.01 -0.31 -0.98 113.70 122.98 3h89 s SER 133 Ca 0.04 1.67 -0.01 0.00 1.31 0.00 0.00 55.95 58.95 3h89 s SER 133 Cb -0.12 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3h89 s SER 133 CO 0.02 -0.31 -0.02 0.68 0.41 0.00 0.00 173.24 174.02 3h89 s VAL 134 N 1.18 0.18 0.11 3.43 -7.23 -0.83 -0.74 120.40 116.50 3h89 s VAL 134 Ca 0.52 -1.52 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 3h89 s VAL 134 Cb -0.21 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3h89 s VAL 134 CO 0.26 -0.84 -0.00 0.00 -0.31 0.00 0.00 175.10 174.22 3h89 s ALA 135 N -3.17 3.27 0.03 1.32 0.00 -1.20 0.33 121.76 122.33 3h89 s ALA 135 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 3h89 s ALA 135 Cb 0.03 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3h89 s ALA 135 CO -0.07 0.65 0.22 0.42 0.00 0.00 0.00 175.76 176.98 3h89 s ILE 136 N -1.39 0.10 -0.80 0.00 1.01 0.17 -4.18 121.20 116.10 3h89 s ILE 136 Ca 0.26 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 3h89 s ILE 136 Cb -0.11 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.56 3h89 s ILE 136 CO 0.18 -0.45 1.21 -0.62 0.00 0.00 0.00 174.94 175.26 3h89 s ASP 137 N -1.97 6.30 -0.21 3.58 2.15 -0.83 -0.95 116.67 124.73 3h89 s ASP 137 Ca -0.06 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.04 3h89 s ASP 137 Cb -0.02 -2.50 0.74 0.00 -0.30 0.00 0.00 42.92 40.84 3h89 s ASP 137 CO -0.03 -1.56 1.66 0.00 -0.17 0.00 0.00 175.17 175.08 3h89 n ALA 138 N 8.45 3.61 -0.77 3.66 0.00 -1.26 -4.78 120.51 129.42 3h89 n ALA 138 Ca 0.10 -2.00 -0.11 0.00 0.00 0.00 0.00 53.44 51.44 3h89 n ALA 138 Cb 0.48 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 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 0.38 2.59 3.34 0.00 0.00 -1.26 -4.76 105.19 105.48 3h89 n GLY 139 Ca 0.26 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 1.63 -0.38 0.28 1.61 3.76 -1.26 -5.02 115.29 115.90 3h89 s HIS 140 Ca 0.50 0.70 0.02 0.00 -0.15 0.00 0.00 55.06 56.13 3h89 s HIS 140 Cb 0.23 0.20 0.61 0.00 1.11 0.00 0.00 32.58 34.72 3h89 s HIS 140 CO -0.00 -0.42 1.77 0.93 -0.85 0.00 0.00 174.74 176.16 3h89 h GLU 141 N 3.96 0.66 -0.92 1.40 5.08 -2.00 -0.93 114.58 121.83 3h89 h GLU 141 Ca -0.28 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3h89 h GLU 141 Cb 1.17 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 3h89 h GLU 141 CO 0.36 0.43 0.59 0.66 -1.00 0.00 0.00 179.01 180.05 3h89 h SER 142 N 0.68 0.77 -0.27 1.42 4.64 -1.95 0.60 113.55 119.44 3h89 h SER 142 Ca 0.51 0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.67 3h89 h SER 142 Cb 0.74 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3h89 h SER 142 CO -0.37 0.42 -0.58 0.15 -0.87 0.00 0.00 176.83 175.57 3h89 h PHE 143 N 0.83 1.11 -0.50 4.77 3.57 -1.48 -1.68 116.94 123.55 3h89 h PHE 143 Ca 0.45 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3h89 h PHE 143 Cb 0.55 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3h89 h PHE 143 CO -0.00 1.24 0.32 -0.07 -2.23 0.00 0.00 178.31 177.57 3h89 h LEU 144 N 0.66 0.59 -0.79 0.59 -0.00 -0.90 -2.87 115.31 112.59 3h89 h LEU 144 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 3h89 h LEU 144 Cb 1.20 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 3h89 h LEU 144 CO 0.13 0.44 0.00 0.49 -0.00 0.00 0.00 178.44 179.50 3h89 n PHE 145 N -4.72 0.04 -1.65 1.13 3.72 0.08 -4.91 117.46 111.15 3h89 n PHE 145 Ca 0.02 -0.02 -0.45 0.00 -0.05 0.00 0.00 57.45 56.96 3h89 n PHE 145 Cb 0.03 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.04 1.89 0.00 1.38 9.36 -0.64 -4.91 117.16 124.20 3h89 n TYR 146 Ca 0.19 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.96 3h89 n TYR 146 Cb 0.30 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 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 1.34 0.00 -3.58 2.98 5.02 -1.26 -1.74 118.16 120.92 3h89 n LYS 147 Ca 0.10 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 3h89 n LYS 147 Cb 0.32 -0.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.90 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 -1.90 1.37 0.03 1.97 4.04 -1.26 -1.94 118.70 121.01 3h89 s GLU 148 Ca 0.00 -0.66 0.00 0.00 0.04 0.00 0.00 54.97 54.35 3h89 s GLU 148 Cb 0.00 0.57 0.00 0.00 0.02 0.00 0.00 34.13 34.72 3h89 s GLU 148 CO 0.00 -0.60 0.00 0.41 -1.84 0.00 0.00 175.26 173.23 3h89 n GLY 149 N -0.37 -3.11 3.60 -3.83 0.00 -1.26 -4.85 105.19 95.36 3h89 n GLY 149 Ca -0.13 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.55 4.69 -0.05 -0.61 1.09 -1.26 -3.94 121.20 120.57 3h89 s ILE 150 Ca 0.00 1.11 -0.30 0.00 -1.10 0.00 0.00 60.65 60.36 3h89 s ILE 150 Cb 0.00 -4.25 -0.03 0.00 -1.06 0.00 0.00 42.46 37.12 3h89 s ILE 150 CO 0.00 -0.42 1.16 -0.47 -0.10 0.00 0.00 174.94 175.11 3h89 s TYR 151 N 3.22 3.28 -0.14 3.97 5.04 0.44 -4.87 117.35 128.29 3h89 s TYR 151 Ca 0.35 1.30 -0.04 0.00 -2.44 0.00 0.00 57.07 56.23 3h89 s TYR 151 Cb -0.13 -3.38 0.06 0.00 0.35 0.00 0.00 41.96 38.86 3h89 s TYR 151 CO 0.16 -1.10 0.11 0.12 -1.34 0.00 0.00 175.55 173.50 3h89 s PHE 152 N 1.99 0.04 -0.42 4.97 5.36 -1.26 -2.04 117.98 126.62 3h89 s PHE 152 Ca 0.55 0.00 -0.10 0.00 -0.96 0.00 0.00 56.93 56.42 3h89 s PHE 152 Cb -0.24 -0.54 0.07 0.00 -0.34 0.00 0.00 43.02 41.97 3h89 s PHE 152 CO 0.23 -0.43 0.27 -2.00 -1.46 0.00 0.00 175.22 171.82 3h89 s GLU 153 N 2.20 2.70 0.55 10.12 2.56 -1.26 -4.96 118.70 130.60 3h89 s GLU 153 Ca 0.04 -1.38 0.38 0.00 0.00 0.00 0.00 54.97 54.00 3h89 s GLU 153 Cb -0.15 -3.83 1.56 0.00 2.00 0.00 0.00 34.13 33.72 3h89 s GLU 153 CO -0.08 -0.93 1.78 -1.35 -0.56 0.00 0.00 175.26 174.12 3h89 h PRO 154 N 8.47 0.00 -0.62 4.30 0.11 -2.05 0.34 132.00 142.54 3h89 h PRO 154 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3h89 h PRO 154 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h89 h PRO 154 CO 0.76 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.08 3h89 n ASP 155 N -4.13 5.00 -4.76 -2.05 2.03 -1.26 -4.99 116.55 106.38 3h89 n ASP 155 Ca 0.27 -2.59 -0.40 0.00 0.52 0.00 0.00 54.79 52.59 3h89 n ASP 155 Cb 1.31 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.01 4.39 -0.00 0.00 0.15 -1.26 -4.62 113.70 111.35 3h89 s SER 157 Ca 0.48 -0.11 0.18 0.00 0.70 0.00 0.00 55.95 57.19 3h89 s SER 157 Cb -0.30 -1.15 0.51 0.00 -1.71 0.00 0.00 66.02 63.37 3h89 s SER 157 CO 0.39 0.33 1.42 -1.54 1.20 0.00 0.00 173.24 175.04 3h89 n SER 158 N 2.46 3.09 -0.00 5.45 3.41 -1.26 -3.86 113.62 122.92 3h89 n SER 158 Ca -0.18 -2.01 0.04 0.00 -0.26 0.00 0.00 58.87 56.46 3h89 n SER 158 Cb 0.53 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.17 2.18 -2.66 4.33 1.02 -1.26 -4.56 120.64 120.87 3h89 n GLU 159 Ca 0.19 -0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 57.10 3h89 n GLU 159 Cb 0.49 -1.03 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.50 3.06 -4.70 1.62 5.75 -1.26 -5.09 116.55 114.45 3h89 n ASP 160 Ca -0.00 -3.26 -0.43 0.00 -0.01 0.00 0.00 54.79 51.09 3h89 n ASP 160 Cb 0.16 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 3h89 n ASP 160 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3h89 n MET 161 N -0.23 2.22 0.00 0.11 2.81 -1.26 -4.64 117.12 116.13 3h89 n MET 161 Ca 0.25 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 3h89 n MET 161 Cb 0.70 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 3h89 n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3h89 n ASP 162 N 1.73 0.63 -3.77 7.83 5.75 -0.22 -4.84 116.55 123.65 3h89 n ASP 162 Ca 0.09 -1.13 -0.20 0.00 -0.01 0.00 0.00 54.79 53.54 3h89 n ASP 162 Cb 0.34 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.13 0.40 -0.15 2.11 5.04 -0.12 -4.92 115.29 117.53 3h89 s HIS 163 Ca 0.00 -0.01 -0.20 0.00 -1.54 0.00 0.00 55.06 53.30 3h89 s HIS 163 Cb 0.00 -0.57 -0.03 0.00 0.04 0.00 0.00 32.58 32.01 3h89 s HIS 163 CO 0.00 -0.21 0.59 0.20 -2.34 0.00 0.00 174.74 172.97 3h89 s GLY 164 N 1.59 2.27 0.00 1.59 0.00 -1.26 0.43 107.32 111.94 3h89 s GLY 164 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3h89 s GLY 164 CO -0.03 1.10 0.00 3.33 0.00 0.00 0.00 173.10 177.50 3h89 n VAL 165 N 4.20 0.00 -4.19 1.40 0.24 0.15 -4.62 118.33 115.51 3h89 n VAL 165 Ca -0.03 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.01 3h89 n VAL 165 Cb 0.51 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.38 -0.34 1.34 2.96 -0.79 -1.97 118.68 121.26 3h89 s LEU 166 Ca 0.00 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.45 3h89 s LEU 166 Cb 0.00 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3h89 s LEU 166 CO 0.00 -0.05 0.47 -0.69 -1.32 0.00 0.00 176.35 174.76 3h89 s VAL 167 N 1.25 5.06 -1.65 1.68 1.01 -0.16 0.62 120.40 128.21 3h89 s VAL 167 Ca -0.04 0.28 0.17 0.00 0.00 0.00 0.00 61.98 62.40 3h89 s VAL 167 Cb -0.14 -3.92 0.39 0.00 0.00 0.00 0.00 36.38 32.71 3h89 s VAL 167 CO -0.03 -0.17 1.31 1.33 0.00 0.00 0.00 175.10 177.54 3h89 n VAL 168 N 5.36 0.74 -3.87 2.92 0.24 0.19 -1.37 118.33 122.55 3h89 n VAL 168 Ca -0.06 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 3h89 n VAL 168 Cb 0.49 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 1.07 -0.55 3.82 7.63 0.00 -1.23 -1.60 105.19 114.34 3h89 n GLY 169 Ca 0.16 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.00 -0.00 -1.72 1.61 -0.85 0.08 -1.13 117.35 112.34 3h89 s TYR 170 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3h89 s TYR 170 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3h89 s TYR 170 CO 0.00 -0.46 0.00 0.41 -1.52 0.00 0.00 175.55 173.98 3h89 n GLY 171 N -0.69 -1.03 3.00 5.49 0.00 -1.02 -0.99 105.19 109.96 3h89 n GLY 171 Ca -0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.00 0.33 0.00 1.61 -0.71 -1.26 -2.24 117.98 112.70 3h89 s PHE 172 Ca 0.00 -0.61 0.00 0.00 -1.04 0.00 0.00 56.93 55.28 3h89 s PHE 172 Cb 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 3h89 s PHE 172 CO 0.00 -0.21 0.00 0.39 -1.34 0.00 0.00 175.22 174.06 3h89 n GLU 173 N 1.36 1.58 -2.69 1.99 1.02 -1.26 -5.00 120.64 117.63 3h89 n GLU 173 Ca -0.22 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.88 3h89 n GLU 173 Cb 0.56 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.02 3h89 n GLU 173 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3h89 n SER 174 N -1.89 -1.94 0.00 1.62 3.41 -1.26 -4.91 113.62 108.65 3h89 n SER 174 Ca 0.00 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3h89 n SER 174 Cb 0.00 1.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 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 2.39 0.00 -4.71 4.04 6.94 -1.26 -5.29 115.26 117.38 3h89 n ASN 180 Ca 0.11 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.42 3h89 n ASN 180 Cb 0.64 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.99 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 2.56 0.23 -3.83 1.02 -1.26 -4.36 119.74 114.09 3h89 s LYS 181 Ca 0.00 -1.13 -0.22 0.00 0.02 0.00 0.00 55.97 54.64 3h89 s LYS 181 Cb 0.00 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 3h89 s LYS 181 CO 0.00 0.43 0.70 1.52 -0.92 0.00 0.00 175.35 177.08 3h89 s TYR 182 N -1.94 -0.29 -0.10 3.18 -0.85 -0.95 -1.25 117.35 115.15 3h89 s TYR 182 Ca 0.30 -0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 56.76 3h89 s TYR 182 Cb -0.08 0.66 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 3h89 s TYR 182 CO 0.21 -1.09 -0.06 -1.58 -1.52 0.00 0.00 175.55 171.51 3h89 s TRP 183 N -3.82 2.98 -0.48 -3.49 0.52 0.14 -2.43 118.94 112.36 3h89 s TRP 183 Ca 0.08 -0.08 -0.27 0.00 0.02 0.00 0.00 56.10 55.86 3h89 s TRP 183 Cb -0.04 -1.79 0.03 0.00 -1.15 0.00 0.00 33.47 30.52 3h89 s TRP 183 CO 0.01 0.22 1.02 -0.51 0.02 0.00 0.00 176.95 177.71 3h89 s LEU 184 N -0.45 3.85 -0.19 2.99 1.43 -0.28 -1.38 118.68 124.65 3h89 s LEU 184 Ca 0.07 0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3h89 s LEU 184 Cb -0.12 -3.28 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 3h89 s LEU 184 CO 0.02 -1.17 -0.04 -0.69 0.23 0.00 0.00 176.35 174.70 3h89 s VAL 185 N 4.10 3.62 -0.18 -1.59 1.01 0.63 -0.63 120.40 127.35 3h89 s VAL 185 Ca 0.41 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3h89 s VAL 185 Cb -0.09 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3h89 s VAL 185 CO 0.28 0.45 0.46 -0.75 0.00 0.00 0.00 175.10 175.54 3h89 s LYS 186 N 0.93 4.22 0.53 2.72 2.20 0.20 -0.45 119.74 130.09 3h89 s LYS 186 Ca -0.00 0.34 0.09 0.00 -0.36 0.00 0.00 55.97 56.03 3h89 s LYS 186 Cb -0.15 -3.52 0.09 0.00 -1.51 0.00 0.00 37.83 32.74 3h89 s LYS 186 CO 0.01 -0.04 0.72 -1.71 -0.36 0.00 0.00 175.35 173.97 3h89 n ASN 187 N 4.42 2.00 -2.57 1.43 2.85 -0.46 -1.88 115.26 121.05 3h89 n ASN 187 Ca -0.07 -2.45 -0.12 0.00 -0.11 0.00 0.00 54.58 51.84 3h89 n ASN 187 Cb 0.51 -0.37 0.03 0.00 1.24 0.00 0.00 39.78 41.19 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 -2.34 2.69 -0.71 1.20 3.41 -1.26 -4.57 113.62 112.04 3h89 n SER 188 Ca 0.14 -2.86 0.04 0.00 -0.26 0.00 0.00 58.87 55.92 3h89 n SER 188 Cb 0.56 -0.47 0.20 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.42 0.37 0.00 7.33 8.01 -1.20 -1.73 117.44 129.80 3h89 n TRP 189 Ca 0.20 -1.43 0.00 0.00 -1.31 0.00 0.00 57.50 54.96 3h89 n TRP 189 Cb 0.81 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 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 -1.13 -1.43 1.31 6.99 0.00 -0.69 -4.46 105.19 105.77 3h89 n GLY 190 Ca 0.23 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.57 2.88 -0.21 1.61 0.28 -1.26 -3.90 120.64 118.48 3h89 n GLU 191 Ca 0.00 -2.43 0.10 0.00 -0.16 0.00 0.00 57.16 54.67 3h89 n GLU 191 Cb 0.00 -1.64 0.21 0.00 1.43 0.00 0.00 31.44 31.44 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 1.24 2.44 -4.38 3.44 -0.58 -1.26 -4.03 120.64 117.51 3h89 n GLU 192 Ca 0.22 -2.21 -0.32 0.00 -0.42 0.00 0.00 57.16 54.43 3h89 n GLU 192 Cb 0.65 -1.44 -0.10 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.21 2.96 0.00 -0.32 -0.00 -1.25 -4.99 118.94 114.12 3h89 s TRP 193 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.45 3h89 s TRP 193 Cb 0.20 -1.62 0.00 0.00 -0.00 0.00 0.00 33.47 32.04 3h89 s TRP 193 CO 0.27 0.41 0.00 0.41 -0.00 0.00 0.00 176.95 178.04 3h89 n GLY 194 N 1.45 1.03 3.24 5.86 0.00 -0.71 -1.01 105.19 115.03 3h89 n GLY 194 Ca -0.15 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 1.07 3.29 -2.34 1.61 2.81 -0.12 -4.33 117.12 119.11 3h89 n MET 195 Ca 0.00 -3.41 -0.15 0.00 -1.81 0.00 0.00 57.70 52.33 3h89 n MET 195 Cb 0.00 -3.18 -0.00 0.00 -0.71 0.00 0.00 33.22 29.32 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 4.16 -0.23 0.11 3.03 0.00 -1.23 -2.27 105.19 108.74 3h89 n GLY 196 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.04 0.17 3.82 -0.02 0.00 -0.18 -4.65 105.19 103.28 3h89 n GLY 197 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.04 2.89 -0.09 1.61 1.51 -0.96 -1.36 117.35 118.91 3h89 s TYR 198 Ca 0.00 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 55.69 3h89 s TYR 198 Cb 0.00 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 3h89 s TYR 198 CO 0.00 0.28 0.25 0.54 -1.11 0.00 0.00 175.55 175.51 3h89 s VAL 199 N -2.30 0.00 -0.62 0.71 0.11 0.40 -0.95 120.40 117.75 3h89 s VAL 199 Ca 0.39 -0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.25 3h89 s VAL 199 Cb -0.06 -0.36 0.15 0.00 -1.53 0.00 0.00 36.38 34.59 3h89 s VAL 199 CO 0.25 -0.02 0.58 -0.54 -3.33 0.00 0.00 175.10 172.05 3h89 s LYS 200 N 0.05 3.16 0.27 1.54 1.02 -1.25 -0.27 119.74 124.25 3h89 s LYS 200 Ca -0.01 -1.89 -0.29 0.00 0.02 0.00 0.00 55.97 53.80 3h89 s LYS 200 Cb -0.02 -4.34 -0.09 0.00 -0.52 0.00 0.00 37.83 32.86 3h89 s LYS 200 CO 0.00 -1.33 1.02 -1.64 -0.92 0.00 0.00 175.35 172.48 3h89 s MET 201 N 1.29 4.72 -0.14 1.68 -1.94 -0.48 -0.42 119.30 124.01 3h89 s MET 201 Ca 0.07 1.64 -0.36 0.00 -1.71 0.00 0.00 55.69 55.33 3h89 s MET 201 Cb -0.24 -3.19 -0.13 0.00 2.01 0.00 0.00 34.83 33.28 3h89 s MET 201 CO -0.00 0.34 1.83 0.00 -0.01 0.00 0.00 175.02 177.17 3h89 n ALA 202 N 1.25 0.53 -2.80 3.03 0.00 -0.87 0.27 120.51 121.92 3h89 n ALA 202 Ca -0.01 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 3h89 n ALA 202 Cb 0.46 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 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 3.81 3.25 -1.22 0.00 2.20 -0.38 -4.49 119.74 122.90 3h89 s LYS 203 Ca 0.94 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 56.29 3h89 s LYS 203 Cb -0.81 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 32.48 3h89 s LYS 203 CO 0.56 0.74 0.89 -0.25 -0.36 0.00 0.00 175.35 176.93 3h89 n ASP 204 N 1.98 -2.09 -2.65 1.43 8.00 -1.26 -4.51 116.55 117.44 3h89 n ASP 204 Ca -0.19 -0.70 -0.20 0.00 0.71 0.00 0.00 54.79 54.41 3h89 n ASP 204 Cb 0.54 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 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 -4.12 2.46 -3.36 -1.24 5.12 -1.26 -4.90 116.66 109.36 3h89 n ARG 205 Ca -0.28 -4.05 -0.18 0.00 -1.93 0.00 0.00 57.85 51.42 3h89 n ARG 205 Cb 0.67 -1.88 0.08 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.25 -6.43 -3.58 5.56 1.74 -1.26 -3.26 116.66 109.18 3h89 n ARG 206 Ca 0.27 0.77 -0.27 0.00 -0.77 0.00 0.00 57.85 57.85 3h89 n ARG 206 Cb 0.68 -5.56 0.04 0.00 -1.02 0.00 0.00 32.46 26.60 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 -2.82 -5.68 -4.68 0.55 5.15 -1.26 -4.81 115.26 101.71 3h89 n ASN 207 Ca -0.17 -0.90 -0.49 0.00 -0.60 0.00 0.00 54.58 52.42 3h89 n ASN 207 Cb 0.62 -3.65 -0.05 0.00 -0.53 0.00 0.00 39.78 36.17 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 -3.77 2.29 -1.42 1.20 -0.00 -1.20 -0.67 115.22 111.65 3h89 n HIS 208 Ca -0.10 0.07 -0.14 0.00 -0.00 0.00 0.00 57.72 57.55 3h89 n HIS 208 Cb 0.59 -2.63 -0.06 0.00 -0.00 0.00 0.00 29.99 27.89 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 -0.56 -0.41 0.21 0.00 0.00 0.15 -1.97 105.19 102.62 3h89 n GLY 210 Ca -0.14 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.39 0.74 -0.47 -0.61 2.04 -1.71 -2.09 117.51 113.02 3h89 h ILE 211 Ca -0.53 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3h89 h ILE 211 Cb 1.34 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3h89 h ILE 211 CO 0.51 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3h89 n ALA 212 N -2.50 2.60 0.07 1.87 0.00 -1.26 -4.30 120.51 116.99 3h89 n ALA 212 Ca 0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.48 3h89 n ALA 212 Cb 0.25 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 2.82 0.13 -1.84 0.00 0.02 -1.67 -3.33 113.55 109.68 3h89 h SER 213 Ca 0.00 -0.14 -0.48 0.00 -0.84 0.00 0.00 61.79 60.32 3h89 h SER 213 Cb 0.81 -0.04 -0.40 0.00 0.14 0.00 0.00 62.40 62.90 3h89 h SER 213 CO 0.06 1.11 -1.08 0.00 -1.14 0.00 0.00 176.83 175.78 3h89 n ALA 214 N -2.41 2.89 -2.84 3.77 0.00 -1.26 -4.79 120.51 115.87 3h89 n ALA 214 Ca -0.03 -3.63 -0.31 0.00 0.00 0.00 0.00 53.44 49.47 3h89 n ALA 214 Cb 0.97 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.80 3.94 0.01 0.00 0.00 -1.26 -3.26 121.76 118.39 3h89 s ALA 215 Ca 0.40 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 3h89 s ALA 215 Cb 0.36 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.66 3h89 s ALA 215 CO -0.07 0.77 1.17 -1.54 0.00 0.00 0.00 175.76 176.09 3h89 s SER 216 N -2.42 -0.11 0.13 0.00 1.04 0.08 -1.94 113.70 110.48 3h89 s SER 216 Ca 0.36 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 3h89 s SER 216 Cb -0.13 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3h89 s SER 216 CO 0.26 -0.47 0.26 -0.72 0.98 0.00 0.00 173.24 173.55 3h89 s TYR 217 N -2.69 0.20 0.07 5.02 1.13 -0.91 -1.16 117.35 119.00 3h89 s TYR 217 Ca 0.13 -0.59 -0.02 0.00 -1.41 0.00 0.00 57.07 55.18 3h89 s TYR 217 Cb 0.02 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.83 3h89 s TYR 217 CO -0.02 -0.65 0.25 -1.25 -2.51 0.00 0.00 175.55 171.37 3h89 s PRO 218 N -3.90 3.49 -0.34 -3.49 0.04 -1.26 -0.95 135.00 128.60 3h89 s PRO 218 Ca 0.10 -0.32 -0.12 0.00 0.04 0.00 0.00 61.00 60.71 3h89 s PRO 218 Cb 0.04 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 3h89 s PRO 218 CO -0.06 0.59 0.21 0.95 0.04 0.00 0.00 177.00 178.72 3h89 s THR 219 N -1.50 4.94 -2.18 1.26 -4.23 -0.60 -4.92 115.64 108.41 3h89 s THR 219 Ca 0.35 -0.39 0.17 0.00 -1.18 0.00 0.00 61.69 60.64 3h89 s THR 219 Cb -0.13 -3.57 0.14 0.00 1.34 0.00 0.00 72.50 70.28 3h89 s THR 219 CO 0.25 -0.03 1.05 1.33 -0.54 0.00 0.00 174.62 176.69