#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 0.40 0.23 0.00 -0.02 -1.26 -4.87 135.00 129.49 3h89 n PRO 2 Ca 0.00 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 3h89 n PRO 2 Cb 0.00 -1.38 0.51 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.59 0.00 -3.05 -0.52 2.47 -2.03 -3.44 114.38 108.40 3h89 h ARG 3 Ca -0.40 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.18 3h89 h ARG 3 Cb 1.41 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.50 3h89 h ARG 3 CO 0.49 0.19 -0.34 -1.12 0.56 0.00 0.00 179.97 179.75 3h89 s SER 4 N -6.13 -0.25 -0.06 7.04 0.01 -1.26 -4.42 113.70 108.62 3h89 s SER 4 Ca 0.00 0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.59 3h89 s SER 4 Cb 0.10 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.84 3h89 s SER 4 CO 0.62 -0.24 0.17 -0.69 0.41 0.00 0.00 173.24 173.51 3h89 s VAL 5 N -0.43 -0.00 -0.31 3.43 1.01 -0.14 -4.95 120.40 119.00 3h89 s VAL 5 Ca -0.05 0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3h89 s VAL 5 Cb -0.04 -0.24 0.19 0.00 0.00 0.00 0.00 36.38 36.29 3h89 s VAL 5 CO 0.02 0.00 0.54 -0.62 0.00 0.00 0.00 175.10 175.04 3h89 s ASP 6 N 0.13 -1.01 0.41 3.32 -1.08 -1.26 -0.06 116.67 117.12 3h89 s ASP 6 Ca -0.00 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.12 3h89 s ASP 6 Cb -0.02 1.74 1.36 0.00 -1.46 0.00 0.00 42.92 44.55 3h89 s ASP 6 CO -0.00 -0.29 1.88 -0.50 0.52 0.00 0.00 175.17 176.78 3h89 h TRP 7 N 7.82 0.00 -0.55 -5.34 4.06 -1.58 -2.41 115.95 117.95 3h89 h TRP 7 Ca -0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3h89 h TRP 7 Cb 1.17 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.30 3h89 h TRP 7 CO 0.25 0.00 0.35 0.00 -3.56 0.00 0.00 178.44 175.47 3h89 h ARG 8 N 0.00 0.74 0.00 0.49 3.08 -1.94 -0.64 114.38 116.11 3h89 h ARG 8 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3h89 h ARG 8 Cb 0.25 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3h89 h ARG 8 CO 0.00 0.51 -0.00 0.93 -1.07 0.00 0.00 179.97 180.33 3h89 h GLU 9 N 0.76 0.00 -0.02 0.04 5.08 -1.83 -2.67 114.58 115.94 3h89 h GLU 9 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3h89 h GLU 9 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3h89 h GLU 9 CO -0.04 0.00 -0.22 1.63 -1.00 0.00 0.00 179.01 179.38 3h89 n LYS 10 N -3.41 1.57 -0.29 2.33 4.76 -0.26 -4.99 118.16 117.87 3h89 n LYS 10 Ca -0.03 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.34 3h89 n LYS 10 Cb 0.08 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 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 1.09 0.81 0.17 0.72 0.00 -1.01 -4.97 105.19 102.02 3h89 n GLY 11 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.74 1.61 -1.99 -1.76 -3.45 116.97 108.64 3h89 h TYR 12 Ca 0.00 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 60.08 3h89 h TYR 12 Cb 0.00 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 3h89 h TYR 12 CO 0.00 0.44 -0.49 0.08 -0.00 0.00 0.00 178.16 178.19 3h89 s VAL 13 N -3.87 5.45 0.60 -2.88 1.01 -1.26 -3.52 120.40 115.92 3h89 s VAL 13 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3h89 s VAL 13 Cb 0.13 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 33.11 3h89 s VAL 13 CO 0.72 0.45 0.84 0.42 0.00 0.00 0.00 175.10 177.53 3h89 s THR 14 N -1.19 2.47 1.03 3.92 -4.23 -1.26 -4.99 115.64 111.39 3h89 s THR 14 Ca 0.22 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 3h89 s THR 14 Cb -0.12 -2.79 0.21 0.00 1.34 0.00 0.00 72.50 71.14 3h89 s THR 14 CO 0.12 0.00 1.07 -2.84 -0.54 0.00 0.00 174.62 172.44 3h89 s PRO 15 N -4.86 0.14 0.22 3.99 0.02 -1.26 -4.95 135.00 128.30 3h89 s PRO 15 Ca 0.60 0.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.26 3h89 s PRO 15 Cb -0.08 -1.67 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 3h89 s PRO 15 CO 0.40 -3.04 1.27 0.08 -0.33 0.00 0.00 177.00 175.38 3h89 s VAL 16 N -2.67 3.24 0.53 3.83 1.01 -1.26 -5.04 120.40 120.03 3h89 s VAL 16 Ca 0.66 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3h89 s VAL 16 Cb -0.22 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.51 3h89 s VAL 16 CO 0.61 0.18 0.36 -0.54 0.00 0.00 0.00 175.10 175.71 3h89 s LYS 17 N -0.45 2.26 -0.10 2.72 1.02 -1.26 -4.76 119.74 119.17 3h89 s LYS 17 Ca 0.54 -2.01 -0.01 0.00 0.02 0.00 0.00 55.97 54.51 3h89 s LYS 17 Cb -0.36 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 3h89 s LYS 17 CO 0.40 -0.55 -0.06 1.21 -0.92 0.00 0.00 175.35 175.43 3h89 s ASN 18 N -4.22 2.04 0.00 2.83 3.84 -1.26 -1.38 114.94 116.79 3h89 s ASN 18 Ca 0.33 -0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.42 3h89 s ASN 18 Cb -0.02 -0.76 1.11 0.00 -0.55 0.00 0.00 41.25 41.03 3h89 s ASN 18 CO 0.20 -0.13 1.80 0.00 -2.79 0.00 0.00 177.10 176.18 3h89 n GLN 19 N 4.95 0.39 0.00 0.43 10.64 0.68 -4.94 117.38 129.52 3h89 n GLN 19 Ca -0.12 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 54.93 3h89 n GLN 19 Cb 0.50 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 3h89 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h89 n GLY 20 N 1.37 0.88 3.31 2.61 0.00 -1.26 -3.67 105.19 108.44 3h89 n GLY 20 Ca 0.11 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 3.16 -3.48 1.61 6.02 -1.26 -4.79 117.38 118.65 3h89 n GLN 21 Ca 0.00 -3.21 0.00 0.00 -0.01 0.00 0.00 57.00 53.79 3h89 n GLN 21 Cb 0.00 -3.35 -0.04 0.00 1.02 0.00 0.00 30.24 27.86 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 4.88 2.81 0.70 0.00 0.00 0.63 -4.27 105.19 109.94 3h89 n GLY 23 Ca -0.11 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 44.94 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 5.83 3.23 -0.31 1.61 3.41 -1.26 -3.18 113.62 122.95 3h89 n SER 24 Ca 0.46 -2.38 0.23 0.00 -0.26 0.00 0.00 58.87 56.92 3h89 n SER 24 Cb 0.26 -0.34 0.53 0.00 -0.26 0.00 0.00 64.21 64.40 3h89 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h89 h TRP 26 N 0.36 0.07 -0.21 0.00 5.08 -1.83 -2.34 115.95 117.07 3h89 h TRP 26 Ca 0.58 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.35 3h89 h TRP 26 Cb 1.54 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.68 3h89 h TRP 26 CO -0.00 0.05 -0.66 0.00 -1.28 0.00 0.00 178.44 176.54 3h89 h ALA 27 N 1.96 0.42 0.00 0.11 0.00 -0.60 -2.49 119.26 118.67 3h89 h ALA 27 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h89 h ALA 27 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h89 h ALA 27 CO -0.00 0.69 0.00 0.74 0.00 0.00 0.00 179.25 180.67 3h89 h PHE 28 N 0.58 0.00 0.19 0.00 -1.00 -1.37 -1.29 116.94 114.05 3h89 h PHE 28 Ca -0.02 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.48 3h89 h PHE 28 Cb 1.28 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.87 3h89 h PHE 28 CO 0.08 0.00 -1.22 1.03 -1.61 0.00 0.00 178.31 176.58 3h89 h SER 29 N 0.00 0.74 -0.24 2.17 0.87 -1.38 -1.76 113.55 113.95 3h89 h SER 29 Ca 0.00 -0.91 -0.04 0.00 -1.23 0.00 0.00 61.79 59.61 3h89 h SER 29 Cb 0.71 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3h89 h SER 29 CO 0.00 1.59 -0.02 0.00 -0.53 0.00 0.00 176.83 177.87 3h89 h ALA 30 N 0.16 0.32 -0.43 6.23 0.00 -1.31 -1.84 119.26 122.38 3h89 h ALA 30 Ca -0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3h89 h ALA 30 Cb 1.95 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 3h89 h ALA 30 CO 0.23 0.07 0.10 1.79 0.00 0.00 0.00 179.25 181.44 3h89 h THR 31 N 0.19 1.23 -0.12 0.00 1.35 -1.34 -1.07 112.91 113.14 3h89 h THR 31 Ca 0.06 -0.81 0.05 0.00 -0.55 0.00 0.00 66.41 65.16 3h89 h THR 31 Cb 0.45 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 67.75 3h89 h THR 31 CO 0.02 0.28 -0.24 1.23 -0.25 0.00 0.00 175.52 176.56 3h89 h GLY 32 N 0.56 -0.25 1.69 5.82 0.00 -1.21 0.38 103.07 110.05 3h89 h GLY 32 Ca 0.13 0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 3h89 h GLY 32 CO 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 176.54 176.25 3h89 h ALA 33 N 0.64 1.39 -0.19 3.60 0.00 -1.23 -1.51 119.26 121.95 3h89 h ALA 33 Ca 0.10 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3h89 h ALA 33 Cb 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h89 h ALA 33 CO -0.30 0.42 -0.49 -0.07 0.00 0.00 0.00 179.25 178.81 3h89 h LEU 34 N 0.37 0.77 -1.02 0.00 3.38 -0.50 -1.65 115.31 116.65 3h89 h LEU 34 Ca 0.07 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.51 3h89 h LEU 34 Cb 0.40 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3h89 h LEU 34 CO 0.02 1.20 0.65 -0.33 0.09 0.00 0.00 178.44 180.08 3h89 h GLU 35 N 0.37 1.21 -0.51 1.13 5.08 0.03 0.42 114.58 122.31 3h89 h GLU 35 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3h89 h GLU 35 Cb 1.11 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3h89 h GLU 35 CO 0.11 0.80 0.03 0.78 -1.00 0.00 0.00 179.01 179.73 3h89 h GLY 36 N 1.25 0.89 0.14 -3.84 0.00 -1.07 -2.69 103.07 97.75 3h89 h GLY 36 Ca 0.40 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3h89 h GLY 36 CO -0.13 0.54 -0.03 1.46 0.00 0.00 0.00 176.54 178.37 3h89 h GLN 37 N 0.78 -0.09 0.00 4.80 1.08 -0.23 -2.55 115.11 118.90 3h89 h GLN 37 Ca 0.16 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3h89 h GLN 37 Cb 0.42 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3h89 h GLN 37 CO 0.01 0.39 0.33 0.52 -0.95 0.00 0.00 178.83 179.14 3h89 h MET 38 N -0.95 0.00 0.00 1.46 2.86 -0.28 0.35 114.93 118.37 3h89 h MET 38 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h89 h MET 38 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3h89 h MET 38 CO 0.01 0.00 -0.16 0.35 1.06 0.00 0.00 176.91 178.17 3h89 h PHE 39 N 0.00 0.00 0.00 -0.22 3.57 -1.46 -1.84 116.94 116.99 3h89 h PHE 39 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h89 h PHE 39 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3h89 h PHE 39 CO 0.00 0.00 0.62 -0.09 -2.23 0.00 0.00 178.31 176.61 3h89 h ARG 40 N -0.82 0.00 0.00 1.11 2.43 -0.56 0.78 114.38 117.31 3h89 h ARG 40 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3h89 h ARG 40 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3h89 h ARG 40 CO 0.00 0.00 -0.88 1.17 -1.51 0.00 0.00 179.97 178.75 3h89 n LYS 41 N -2.68 0.50 0.03 0.20 4.81 -0.22 -4.72 118.16 116.08 3h89 n LYS 41 Ca -0.01 0.42 0.11 0.00 -0.87 0.00 0.00 58.31 57.96 3h89 n LYS 41 Cb 0.65 -1.61 -0.08 0.00 0.02 0.00 0.00 35.03 34.01 3h89 n LYS 41 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3h89 n THR 42 N -4.52 0.23 -0.63 3.15 -2.24 -0.69 -4.98 114.28 104.59 3h89 n THR 42 Ca -0.15 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3h89 n THR 42 Cb 0.43 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.27 0.79 3.35 3.38 0.00 0.26 -5.03 105.19 109.21 3h89 n GLY 43 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3h89 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h89 s ARG 44 N -0.37 2.70 -0.36 1.61 0.52 -1.26 -5.02 118.95 116.77 3h89 s ARG 44 Ca 0.00 -0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 3h89 s ARG 44 Cb 0.00 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 3h89 s ARG 44 CO 0.00 0.42 0.28 -1.17 0.02 0.00 0.00 175.30 174.85 3h89 s LEU 45 N -0.22 4.68 -0.18 2.53 2.96 -1.26 -4.08 118.68 123.11 3h89 s LEU 45 Ca -0.01 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 3h89 s LEU 45 Cb -0.13 -2.18 0.04 0.00 0.50 0.00 0.00 46.19 44.41 3h89 s LEU 45 CO 0.03 -0.32 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.00 3h89 s ILE 46 N 1.77 1.61 0.05 6.68 -1.09 -1.26 -5.09 121.20 123.86 3h89 s ILE 46 Ca 0.07 -0.89 -0.35 0.00 -2.23 0.00 0.00 60.65 57.25 3h89 s ILE 46 Cb -0.18 -1.64 -0.14 0.00 -1.58 0.00 0.00 42.46 38.93 3h89 s ILE 46 CO 0.11 0.25 1.66 -0.24 -1.23 0.00 0.00 174.94 175.49 3h89 n SER 47 N 4.71 3.01 -4.95 3.58 2.88 -1.26 -4.84 113.62 116.75 3h89 n SER 47 Ca -0.15 1.05 -0.23 0.00 -1.33 0.00 0.00 58.87 58.21 3h89 n SER 47 Cb 0.48 -1.37 -0.01 0.00 -0.75 0.00 0.00 64.21 62.56 3h89 n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3h89 s LEU 48 N 2.05 4.05 -0.30 2.46 1.43 -1.26 -0.50 118.68 126.61 3h89 s LEU 48 Ca 0.85 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.99 3h89 s LEU 48 Cb -0.74 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3h89 s LEU 48 CO 0.45 -0.29 0.96 -0.55 0.23 0.00 0.00 176.35 177.15 3h89 s SER 49 N -4.05 6.86 0.03 2.29 0.15 -0.75 -4.25 113.70 113.99 3h89 s SER 49 Ca 0.40 0.96 0.05 0.00 0.70 0.00 0.00 55.95 58.06 3h89 s SER 49 Cb -0.09 -2.49 -0.24 0.00 -1.71 0.00 0.00 66.02 61.48 3h89 s SER 49 CO 0.34 -0.74 0.96 -0.33 1.20 0.00 0.00 173.24 174.67 3h89 h GLU 50 N 7.99 0.09 -0.39 5.44 3.07 -1.88 -3.28 114.58 125.62 3h89 h GLU 50 Ca -0.22 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.42 3h89 h GLU 50 Cb 1.07 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 3h89 h GLU 50 CO 0.97 0.90 -0.06 0.37 -1.40 0.00 0.00 179.01 179.78 3h89 h GLN 51 N 0.02 0.65 -0.71 2.33 5.75 -1.81 -0.53 115.11 120.82 3h89 h GLN 51 Ca -0.17 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.16 3h89 h GLN 51 Cb 1.92 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 30.36 3h89 h GLN 51 CO 0.13 0.72 0.47 -0.97 -2.65 0.00 0.00 178.83 176.52 3h89 h ASN 52 N 0.61 0.79 -0.18 -0.69 -0.00 -1.83 0.12 115.58 114.40 3h89 h ASN 52 Ca 0.12 -0.01 -0.19 0.00 -0.00 0.00 0.00 56.30 56.21 3h89 h ASN 52 Cb 0.48 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 3h89 h ASN 52 CO 0.02 0.57 -0.60 -0.07 -0.00 0.00 0.00 177.43 177.35 3h89 h LEU 53 N 0.94 0.89 -1.11 0.34 3.38 -1.52 -2.32 115.31 115.91 3h89 h LEU 53 Ca 0.27 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 3h89 h LEU 53 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 3h89 h LEU 53 CO -0.07 1.29 0.16 0.58 0.09 0.00 0.00 178.44 180.48 3h89 h VAL 54 N 0.59 1.21 0.00 1.22 2.07 -0.33 -1.80 116.25 119.21 3h89 h VAL 54 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3h89 h VAL 54 Cb 1.21 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3h89 h VAL 54 CO 0.13 0.28 -1.28 0.47 0.02 0.00 0.00 177.57 177.19 3h89 n ASP 55 N -4.30 0.58 -0.06 0.57 8.00 0.34 -4.24 116.55 117.45 3h89 n ASP 55 Ca 0.04 0.16 0.01 0.00 0.71 0.00 0.00 54.79 55.71 3h89 n ASP 55 Cb 0.20 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 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 -0.29 5.16 -0.01 0.00 3.41 -0.68 -4.47 113.62 116.74 3h89 n SER 57 Ca 0.01 -2.97 -0.11 0.00 -0.26 0.00 0.00 58.87 55.54 3h89 n SER 57 Cb 0.05 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 3.65 0.17 1.52 5.00 0.00 -1.83 -2.20 103.07 109.38 3h89 h GLY 58 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3h89 h GLY 58 CO 0.55 0.06 0.23 -2.55 0.00 0.00 0.00 176.54 174.83 3h89 h PRO 59 N 0.14 0.00 -0.01 4.80 0.11 -1.88 0.29 132.00 135.46 3h89 h PRO 59 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3h89 h PRO 59 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3h89 h PRO 59 CO -0.01 0.00 -0.26 1.04 -0.21 0.00 0.00 178.00 178.56 3h89 n GLN 60 N -3.12 0.76 0.00 1.05 3.00 -0.86 -4.93 117.38 113.28 3h89 n GLN 60 Ca -0.01 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 3h89 n GLN 60 Cb 0.30 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.05 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 1.35 1.05 3.91 1.08 0.00 0.10 -4.82 105.19 107.85 3h89 n GLY 61 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.72 6.31 -0.35 1.61 0.01 -0.99 -4.85 114.94 114.96 3h89 s ASN 62 Ca 0.00 0.90 0.08 0.00 -0.71 0.00 0.00 52.86 53.14 3h89 s ASN 62 Cb 0.00 -2.23 0.45 0.00 0.41 0.00 0.00 41.25 39.87 3h89 s ASN 62 CO 0.00 -0.51 1.14 -0.62 -1.51 0.00 0.00 177.10 175.59 3h89 n GLU 63 N -2.03 3.23 0.00 -0.60 -0.58 0.23 -4.31 120.64 116.57 3h89 n GLU 63 Ca 0.00 -4.19 0.00 0.00 -0.42 0.00 0.00 57.16 52.55 3h89 n GLU 63 Cb 0.55 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 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 -0.57 3.24 0.00 0.62 0.00 -1.24 -0.38 105.19 106.86 3h89 n GLY 64 Ca 0.37 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.06 1.20 0.00 0.00 3.02 0.49 -0.27 115.26 118.64 3h89 n ASN 66 Ca 0.22 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 3h89 n ASN 66 Cb 0.14 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 1.42 3.98 0.91 7.41 0.00 -1.18 -4.92 105.19 112.80 3h89 n GLY 67 Ca 0.09 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.97 0.36 3.09 -0.02 0.00 -1.26 0.76 105.19 106.15 3h89 n GLY 68 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 2.26 0.18 0.99 1.43 -1.26 -4.83 118.68 117.45 3h89 s LEU 69 Ca 0.07 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3h89 s LEU 69 Cb -0.00 -0.25 0.07 0.00 0.03 0.00 0.00 46.19 46.04 3h89 s LEU 69 CO -0.01 -0.17 1.56 0.24 0.23 0.00 0.00 176.35 178.20 3h89 h MET 70 N 4.45 0.88 -0.10 1.70 2.86 -1.98 -2.68 114.93 120.05 3h89 h MET 70 Ca -0.37 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 56.83 3h89 h MET 70 Cb 1.20 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3h89 h MET 70 CO 0.40 1.04 -0.14 -0.44 1.06 0.00 0.00 176.91 178.83 3h89 h ASP 71 N 0.75 0.14 -0.33 1.22 3.32 -1.96 -0.60 116.42 118.95 3h89 h ASP 71 Ca 0.09 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3h89 h ASP 71 Cb 0.83 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3h89 h ASP 71 CO 0.07 0.31 -0.22 1.88 -1.72 0.00 0.00 179.24 179.56 3h89 h TYR 72 N 0.14 0.92 -0.07 4.55 -1.99 -1.81 -1.10 116.97 117.62 3h89 h TYR 72 Ca 0.03 -0.21 -0.19 0.00 2.00 0.00 0.00 58.73 60.36 3h89 h TYR 72 Cb 0.35 -0.22 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 3h89 h TYR 72 CO 0.00 0.95 -0.76 0.00 -0.00 0.00 0.00 178.16 178.36 3h89 h ALA 73 N 1.04 0.57 -0.13 3.88 0.00 -1.05 -2.25 119.26 121.32 3h89 h ALA 73 Ca 0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3h89 h ALA 73 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3h89 h ALA 73 CO 0.06 0.77 0.05 0.74 0.00 0.00 0.00 179.25 180.87 3h89 h PHE 74 N 0.27 0.20 -1.00 0.00 0.04 -0.93 -1.54 116.94 113.97 3h89 h PHE 74 Ca -0.04 -0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.81 3h89 h PHE 74 Cb 1.34 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 39.35 3h89 h PHE 74 CO 0.05 0.30 0.64 0.37 -0.60 0.00 0.00 178.31 179.06 3h89 h GLN 75 N 0.05 1.06 0.01 1.51 5.75 -1.18 -1.85 115.11 120.46 3h89 h GLN 75 Ca 0.04 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3h89 h GLN 75 Cb 0.18 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3h89 h GLN 75 CO -0.00 0.70 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.91 3h89 h TYR 76 N 1.10 -0.13 -0.29 3.99 3.20 -0.77 0.18 116.97 124.25 3h89 h TYR 76 Ca 0.46 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.42 3h89 h TYR 76 Cb 0.31 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3h89 h TYR 76 CO -0.00 -0.08 0.28 0.28 -1.64 0.00 0.00 178.16 176.99 3h89 h VAL 77 N -0.09 0.55 0.00 1.81 2.07 -0.48 0.20 116.25 120.30 3h89 h VAL 77 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3h89 h VAL 77 Cb 0.12 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3h89 h VAL 77 CO -0.05 0.00 -0.36 -0.61 0.02 0.00 0.00 177.57 176.57 3h89 h GLN 78 N 0.00 0.00 0.00 1.57 4.15 -0.87 0.50 115.11 120.46 3h89 h GLN 78 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3h89 h GLN 78 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 3h89 h GLN 78 CO -0.00 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.04 3h89 n ASP 79 N -4.64 0.00 -0.00 -0.69 8.00 0.55 0.47 116.55 120.23 3h89 n ASP 79 Ca -0.10 0.43 0.03 0.00 0.71 0.00 0.00 54.79 55.86 3h89 n ASP 79 Cb 0.29 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3h89 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3h89 n ASN 80 N -1.44 2.18 -3.68 -2.24 5.15 0.66 -5.05 115.26 110.84 3h89 n ASN 80 Ca 0.01 -0.28 -0.24 0.00 -0.60 0.00 0.00 54.58 53.47 3h89 n ASN 80 Cb 0.02 1.16 0.01 0.00 -0.53 0.00 0.00 39.78 40.43 3h89 n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h89 n GLY 81 N 1.72 -1.21 0.00 8.20 0.00 0.18 -4.90 105.19 109.18 3h89 n GLY 81 Ca -0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3h89 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 82 N -1.73 4.67 2.87 -0.02 0.00 -0.41 -5.01 105.19 105.56 3h89 n GLY 82 Ca -0.21 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 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 1.29 0.73 0.99 2.96 -0.68 -4.79 118.68 119.18 3h89 s LEU 83 Ca 0.00 -0.09 -0.14 0.00 -0.22 0.00 0.00 54.13 53.68 3h89 s LEU 83 Cb 0.00 -0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.38 3h89 s LEU 83 CO 0.00 -0.07 1.18 -1.81 -1.32 0.00 0.00 176.35 174.33 3h89 s ASP 84 N 0.91 4.31 1.09 3.68 1.11 -1.26 -0.44 116.67 126.08 3h89 s ASP 84 Ca -0.11 2.24 -0.10 0.00 0.18 0.00 0.00 52.55 54.76 3h89 s ASP 84 Cb -0.14 -2.58 0.15 0.00 1.07 0.00 0.00 42.92 41.42 3h89 s ASP 84 CO -0.00 -2.18 0.61 -1.54 1.18 0.00 0.00 175.17 173.24 3h89 n SER 85 N -2.80 -1.09 0.02 0.27 3.41 -1.17 -1.80 113.62 110.46 3h89 n SER 85 Ca 0.12 -0.97 -0.12 0.00 -0.26 0.00 0.00 58.87 57.65 3h89 n SER 85 Cb 0.51 -0.53 -0.14 0.00 -0.26 0.00 0.00 64.21 63.79 3h89 n SER 85 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3h89 h GLU 86 N 0.00 0.10 -0.29 4.33 4.57 -0.97 -3.12 114.58 119.20 3h89 h GLU 86 Ca -0.22 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3h89 h GLU 86 Cb 0.65 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3h89 h GLU 86 CO 0.15 0.85 0.14 1.49 -1.18 0.00 0.00 179.01 180.46 3h89 h GLU 87 N 0.03 0.41 -0.00 1.92 4.81 -1.93 -3.12 114.58 116.69 3h89 h GLU 87 Ca -0.22 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.76 3h89 h GLU 87 Cb 1.96 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 3h89 h GLU 87 CO 0.12 0.40 -0.83 0.66 -0.73 0.00 0.00 179.01 178.63 3h89 h SER 88 N 0.33 0.18 -3.07 1.04 4.64 -1.94 -3.39 113.55 111.34 3h89 h SER 88 Ca 0.10 -0.14 -0.62 0.00 -0.47 0.00 0.00 61.79 60.66 3h89 h SER 88 Cb 0.12 -0.05 -0.41 0.00 -0.31 0.00 0.00 62.40 61.74 3h89 h SER 88 CO -0.01 0.93 -0.65 -0.47 -0.87 0.00 0.00 176.83 175.75 3h89 s TYR 89 N -3.25 3.05 0.95 4.77 6.14 -1.18 -5.01 117.35 122.81 3h89 s TYR 89 Ca -0.02 -3.12 -0.13 0.00 0.64 0.00 0.00 57.07 54.45 3h89 s TYR 89 Cb 0.11 -2.37 0.04 0.00 0.42 0.00 0.00 41.96 40.16 3h89 s TYR 89 CO 0.81 -0.62 0.41 -2.30 0.64 0.00 0.00 175.55 174.50 3h89 n PRO 90 N 2.26 -0.30 -3.55 4.97 -0.02 -1.18 -4.58 135.00 132.59 3h89 n PRO 90 Ca 0.20 -0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.26 3h89 n PRO 90 Cb 0.37 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.40 3.59 0.00 6.00 5.04 -1.26 -4.57 117.35 123.75 3h89 s TYR 91 Ca 0.57 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 3h89 s TYR 91 Cb -0.21 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.82 3h89 s TYR 91 CO 0.67 0.47 0.57 0.39 -1.34 0.00 0.00 175.55 176.31 3h89 n GLU 92 N 2.65 0.18 -3.11 4.97 1.02 -1.26 -5.01 120.64 120.09 3h89 n GLU 92 Ca -0.13 -0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 56.10 3h89 n GLU 92 Cb 0.52 -0.92 0.01 0.00 -0.02 0.00 0.00 31.44 31.04 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 -0.13 -0.99 -3.60 0.62 0.00 -1.26 -4.93 120.51 110.23 3h89 n ALA 93 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 3h89 n ALA 93 Cb 0.12 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.53 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 -2.98 0.00 0.01 0.00 -1.32 -1.26 -4.61 115.64 105.48 3h89 s THR 94 Ca 0.31 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 3h89 s THR 94 Cb -0.15 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 3h89 s THR 94 CO 0.38 0.00 1.10 -0.70 -2.21 0.00 0.00 174.62 173.18 3h89 s GLU 95 N -0.56 4.47 0.19 7.08 2.12 -1.26 -4.97 118.70 125.78 3h89 s GLU 95 Ca -0.01 1.59 0.05 0.00 0.36 0.00 0.00 54.97 56.96 3h89 s GLU 95 Cb -0.02 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3h89 s GLU 95 CO -0.01 -0.20 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.24 3h89 s GLU 96 N 1.26 1.23 0.49 4.30 0.41 -1.26 -5.08 118.70 120.04 3h89 s GLU 96 Ca 0.55 -1.57 -0.24 0.00 -0.41 0.00 0.00 54.97 53.30 3h89 s GLU 96 Cb -0.25 -0.70 -0.07 0.00 -1.78 0.00 0.00 34.13 31.33 3h89 s GLU 96 CO 0.27 0.02 1.33 -1.13 -0.49 0.00 0.00 175.26 175.25 3h89 n SER 97 N -0.33 2.69 -4.69 -0.19 3.41 -1.26 -4.52 113.62 108.74 3h89 n SER 97 Ca -0.08 1.04 -0.44 0.00 -0.26 0.00 0.00 58.87 59.13 3h89 n SER 97 Cb 0.62 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.99 3h89 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h89 n LYS 99 N 2.34 2.14 -1.94 0.00 5.02 -1.26 -5.05 118.16 119.42 3h89 n LYS 99 Ca 0.12 -3.48 -0.41 0.00 -2.02 0.00 0.00 58.31 52.51 3h89 n LYS 99 Cb 0.32 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3h89 n LYS 99 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3h89 s TYR 100 N -3.03 2.91 -0.08 2.13 5.04 -1.26 -5.02 117.35 118.04 3h89 s TYR 100 Ca 0.39 1.01 -0.02 0.00 -2.44 0.00 0.00 57.07 56.01 3h89 s TYR 100 Cb 0.38 -3.89 0.03 0.00 0.35 0.00 0.00 41.96 38.83 3h89 s TYR 100 CO -0.04 -2.87 0.02 1.21 -1.34 0.00 0.00 175.55 172.53 3h89 s ASN 101 N 0.28 1.68 0.34 4.32 3.84 -1.26 -5.05 114.94 119.09 3h89 s ASN 101 Ca 0.59 -0.16 0.24 0.00 0.21 0.00 0.00 52.86 53.74 3h89 s ASN 101 Cb -0.44 -0.40 1.23 0.00 -0.55 0.00 0.00 41.25 41.09 3h89 s ASN 101 CO 0.47 -0.22 1.73 1.55 -2.79 0.00 0.00 177.10 177.84 3h89 h PRO 102 N 8.34 0.00 -0.00 0.43 0.13 -1.97 -2.76 132.00 136.17 3h89 h PRO 102 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3h89 h PRO 102 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h89 h PRO 102 CO 0.25 0.00 -0.30 1.17 -0.23 0.00 0.00 178.00 178.89 3h89 n LYS 103 N -2.33 0.08 -0.00 0.86 4.81 -1.26 -3.45 118.16 116.86 3h89 n LYS 103 Ca -0.01 -0.03 0.06 0.00 -0.87 0.00 0.00 58.31 57.46 3h89 n LYS 103 Cb 0.09 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 33.69 3h89 n LYS 103 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3h89 n TYR 104 N -1.43 0.01 -1.84 5.64 4.01 -1.04 -4.99 117.16 117.51 3h89 n TYR 104 Ca 0.07 -0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 3h89 n TYR 104 Cb 0.33 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.99 6.42 0.00 7.72 0.15 -1.22 -3.04 113.70 122.74 3h89 s SER 105 Ca 0.14 2.96 0.00 0.00 0.70 0.00 0.00 55.95 59.75 3h89 s SER 105 Cb 0.10 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3h89 s SER 105 CO 0.15 -0.84 0.54 1.33 1.20 0.00 0.00 173.24 175.63 3h89 n VAL 106 N 1.09 0.26 -3.92 4.45 0.24 0.42 -4.89 118.33 115.98 3h89 n VAL 106 Ca 0.03 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 3h89 n VAL 106 Cb 0.39 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.26 -0.65 -0.23 2.33 0.00 -1.21 -4.98 121.76 116.77 3h89 s ALA 107 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 51.96 50.92 3h89 s ALA 107 Cb 0.00 0.93 0.15 0.00 0.00 0.00 0.00 23.12 24.19 3h89 s ALA 107 CO 0.00 -0.95 1.30 1.21 0.00 0.00 0.00 175.76 177.33 3h89 s ASN 108 N -3.00 -0.07 0.05 0.00 3.04 -1.26 -1.68 114.94 112.02 3h89 s ASN 108 Ca 0.17 -0.00 -0.06 0.00 0.04 0.00 0.00 52.86 53.00 3h89 s ASN 108 Cb -0.04 0.08 -0.01 0.00 -1.54 0.00 0.00 41.25 39.74 3h89 s ASN 108 CO 0.09 -0.12 0.12 1.51 -3.04 0.00 0.00 177.10 175.66 3h89 s ASP 109 N -2.15 0.18 -0.48 -4.21 1.47 -1.26 -4.71 116.67 105.52 3h89 s ASP 109 Ca 0.11 -0.61 0.03 0.00 1.18 0.00 0.00 52.55 53.26 3h89 s ASP 109 Cb -0.01 0.27 0.48 0.00 -0.34 0.00 0.00 42.92 43.32 3h89 s ASP 109 CO -0.03 -0.59 1.69 1.07 0.68 0.00 0.00 175.17 177.98 3h89 n THR 110 N 0.43 3.11 0.00 2.11 5.66 0.32 -4.19 114.28 121.71 3h89 n THR 110 Ca -0.17 -3.21 0.00 0.00 -3.05 0.00 0.00 64.05 57.62 3h89 n THR 110 Cb 0.60 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 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 -0.91 0.43 3.44 1.09 0.00 -1.26 -4.89 105.19 103.08 3h89 n GLY 111 Ca 0.53 -2.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 1.18 -0.03 1.61 -0.71 -1.26 -1.70 117.98 117.08 3h89 s PHE 112 Ca 0.00 -1.35 -0.00 0.00 -1.04 0.00 0.00 56.93 54.53 3h89 s PHE 112 Cb 0.00 -0.23 0.03 0.00 -1.21 0.00 0.00 43.02 41.61 3h89 s PHE 112 CO 0.00 -1.05 0.03 0.08 -1.34 0.00 0.00 175.22 172.95 3h89 s VAL 113 N -3.24 -0.04 -0.21 -2.49 1.01 -0.86 -4.89 120.40 109.68 3h89 s VAL 113 Ca 0.33 0.26 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 3h89 s VAL 113 Cb 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.21 3h89 s VAL 113 CO 0.21 0.12 0.26 -1.81 0.00 0.00 0.00 175.10 173.88 3h89 s ASP 114 N 1.36 6.28 0.11 3.32 1.01 -1.26 -2.80 116.67 124.69 3h89 s ASP 114 Ca -0.05 0.31 -0.23 0.00 0.71 0.00 0.00 52.55 53.29 3h89 s ASP 114 Cb -0.13 -2.16 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 3h89 s ASP 114 CO -0.03 0.02 0.71 -0.63 0.21 0.00 0.00 175.17 175.46 3h89 s ILE 115 N 1.04 4.55 1.01 0.77 1.09 -0.67 -5.01 121.20 123.98 3h89 s ILE 115 Ca 0.13 1.54 -0.20 0.00 -1.10 0.00 0.00 60.65 61.02 3h89 s ILE 115 Cb -0.14 -4.06 -0.10 0.00 -1.06 0.00 0.00 42.46 37.10 3h89 s ILE 115 CO 0.05 0.50 -0.74 -2.65 -0.10 0.00 0.00 174.94 172.00 3h89 n PRO 116 N 1.88 -0.28 -1.70 2.79 -0.02 -1.26 -4.60 135.00 131.81 3h89 n PRO 116 Ca -0.06 -0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.02 3h89 n PRO 116 Cb 0.50 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 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 1.17 3.28 -3.82 -0.52 5.02 -1.26 -4.71 118.16 117.32 3h89 n LYS 117 Ca -0.00 -2.80 -0.13 0.00 -2.02 0.00 0.00 58.31 53.36 3h89 n LYS 117 Cb 0.63 -2.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.16 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 -1.54 0.04 0.32 1.97 1.11 -1.26 -4.85 119.66 115.45 3h89 s GLN 118 Ca 0.57 0.13 0.08 0.00 0.01 0.00 0.00 55.36 56.15 3h89 s GLN 118 Cb 0.31 -0.07 0.80 0.00 -1.01 0.00 0.00 33.01 33.04 3h89 s GLN 118 CO -0.17 -0.07 1.79 0.93 0.01 0.00 0.00 175.29 177.78 3h89 h GLU 119 N 6.52 0.69 -0.70 2.91 5.08 -1.89 -0.34 114.58 126.84 3h89 h GLU 119 Ca -0.32 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.08 3h89 h GLU 119 Cb 1.18 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 3h89 h GLU 119 CO 0.47 0.46 0.37 -0.22 -1.00 0.00 0.00 179.01 179.09 3h89 h LYS 120 N 0.71 0.62 -0.26 2.33 3.11 -1.97 0.18 116.57 121.29 3h89 h LYS 120 Ca 0.56 -0.04 -0.14 0.00 -2.81 0.00 0.00 60.65 58.22 3h89 h LYS 120 Cb 0.94 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 3h89 h LYS 120 CO -0.34 0.41 -0.41 0.00 -2.81 0.00 0.00 179.45 176.30 3h89 h ALA 121 N 1.41 0.79 -0.52 5.00 0.00 -1.42 -2.75 119.26 121.78 3h89 h ALA 121 Ca 0.34 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3h89 h ALA 121 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h89 h ALA 121 CO -0.24 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 180.89 3h89 h LEU 122 N 0.51 0.91 -0.69 0.00 5.85 -0.72 -2.30 115.31 118.88 3h89 h LEU 122 Ca 0.04 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3h89 h LEU 122 Cb 0.93 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3h89 h LEU 122 CO 0.08 1.00 0.38 -0.03 -0.34 0.00 0.00 178.44 179.54 3h89 h MET 123 N 0.79 0.68 0.00 1.25 4.05 -0.55 0.47 114.93 121.63 3h89 h MET 123 Ca 0.14 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.42 3h89 h MET 123 Cb 0.55 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 3h89 h MET 123 CO 0.03 0.45 -0.48 0.87 0.23 0.00 0.00 176.91 178.01 3h89 h LYS 124 N 0.70 0.00 -0.03 0.39 1.57 -1.36 -2.19 116.57 115.65 3h89 h LYS 124 Ca 0.31 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.88 3h89 h LYS 124 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3h89 h LYS 124 CO -0.19 0.48 -0.84 0.00 -0.57 0.00 0.00 179.45 178.33 3h89 h ALA 125 N 1.52 0.48 0.00 3.86 0.00 -0.70 -2.65 119.26 121.77 3h89 h ALA 125 Ca -0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3h89 h ALA 125 Cb 0.89 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h89 h ALA 125 CO 0.06 0.80 -0.38 0.28 0.00 0.00 0.00 179.25 180.02 3h89 h VAL 126 N 0.24 0.88 0.05 0.00 2.07 -0.78 -0.24 116.25 118.46 3h89 h VAL 126 Ca -0.05 -1.54 -0.16 0.00 0.82 0.00 0.00 66.70 65.76 3h89 h VAL 126 Cb 1.45 1.94 0.02 0.00 -1.52 0.00 0.00 31.29 33.18 3h89 h VAL 126 CO 0.14 0.37 -0.66 0.00 0.02 0.00 0.00 177.57 177.44 3h89 h ALA 127 N 1.62 0.02 0.00 1.67 0.00 -1.28 -3.30 119.26 117.99 3h89 h ALA 127 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h89 h ALA 127 Cb 0.91 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h89 h ALA 127 CO 0.05 0.35 -1.43 0.25 0.00 0.00 0.00 179.25 178.48 3h89 n THR 128 N -4.19 0.00 -0.13 0.00 -2.24 -1.01 -4.72 114.28 101.99 3h89 n THR 128 Ca -0.11 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 3h89 n THR 128 Cb 0.72 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.83 1.43 0.00 2.28 0.31 -0.10 -5.09 118.33 115.32 3h89 n VAL 129 Ca -0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3h89 n VAL 129 Cb 0.41 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 0.66 3.68 2.92 0.00 -1.22 -4.92 105.19 107.70 3h89 n GLY 130 Ca -0.51 -2.17 -0.57 0.00 0.00 0.00 0.00 46.02 42.77 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 1.04 -4.23 1.61 -0.02 -1.26 -4.48 135.00 127.66 3h89 n PRO 131 Ca 0.00 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.52 3h89 n PRO 131 Cb 0.00 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 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 2.62 4.32 0.08 4.25 -1.09 0.04 -4.69 121.20 126.72 3h89 s ILE 132 Ca 0.95 -0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.86 3h89 s ILE 132 Cb -1.08 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3h89 s ILE 132 CO 0.62 0.49 1.09 -0.44 -1.23 0.00 0.00 174.94 175.47 3h89 s SER 133 N 0.26 7.25 0.10 3.58 0.01 -0.15 -0.43 113.70 124.32 3h89 s SER 133 Ca 0.00 1.91 -0.01 0.00 1.31 0.00 0.00 55.95 59.16 3h89 s SER 133 Cb -0.13 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 3h89 s SER 133 CO 0.02 -0.31 0.03 0.68 0.41 0.00 0.00 173.24 174.07 3h89 s VAL 134 N 0.62 0.14 -0.13 3.43 -7.23 -0.84 -1.25 120.40 115.16 3h89 s VAL 134 Ca 0.53 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 3h89 s VAL 134 Cb -0.26 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3h89 s VAL 134 CO 0.30 -0.66 -0.20 0.00 -0.31 0.00 0.00 175.10 174.23 3h89 s ALA 135 N -4.00 2.32 0.11 1.32 0.00 -1.24 -0.31 121.76 119.97 3h89 s ALA 135 Ca 0.18 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3h89 s ALA 135 Cb 0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3h89 s ALA 135 CO -0.03 0.13 -0.20 0.42 0.00 0.00 0.00 175.76 176.08 3h89 s ILE 136 N 0.57 1.72 -0.61 0.00 1.09 0.11 -4.38 121.20 119.70 3h89 s ILE 136 Ca -0.12 -1.60 -0.28 0.00 -1.10 0.00 0.00 60.65 57.55 3h89 s ILE 136 Cb -0.16 -1.60 0.03 0.00 -1.06 0.00 0.00 42.46 39.67 3h89 s ILE 136 CO 0.04 -0.10 1.25 -0.62 -0.10 0.00 0.00 174.94 175.40 3h89 s ASP 137 N -2.03 6.34 -0.24 3.58 2.15 -0.69 -1.23 116.67 124.55 3h89 s ASP 137 Ca 0.08 0.04 0.12 0.00 0.43 0.00 0.00 52.55 53.21 3h89 s ASP 137 Cb -0.09 -2.55 0.48 0.00 -0.30 0.00 0.00 42.92 40.45 3h89 s ASP 137 CO 0.05 -1.59 1.39 0.00 -0.17 0.00 0.00 175.17 174.85 3h89 n ALA 138 N 8.81 3.74 0.07 3.66 0.00 -1.26 -4.80 120.51 130.72 3h89 n ALA 138 Ca 0.08 -2.95 -0.01 0.00 0.00 0.00 0.00 53.44 50.56 3h89 n ALA 138 Cb 0.49 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.04 2.40 3.15 0.00 0.00 -1.26 -4.87 105.19 103.56 3h89 n GLY 139 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.13 0.92 0.36 1.61 3.76 -1.26 -5.03 115.29 115.52 3h89 s HIS 140 Ca 0.02 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.27 3h89 s HIS 140 Cb 0.02 -0.52 0.70 0.00 1.11 0.00 0.00 32.58 33.89 3h89 s HIS 140 CO 0.00 -0.07 2.01 1.49 -0.85 0.00 0.00 174.74 177.32 3h89 h GLU 141 N 3.61 0.76 0.00 1.40 4.81 -2.01 -2.26 114.58 120.88 3h89 h GLU 141 Ca -0.36 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 3h89 h GLU 141 Cb 1.18 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3h89 h GLU 141 CO 0.54 0.50 -0.15 0.66 -0.73 0.00 0.00 179.01 179.83 3h89 h SER 142 N 0.78 0.00 0.22 1.04 4.64 -1.97 -2.77 113.55 115.49 3h89 h SER 142 Ca 0.24 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.29 3h89 h SER 142 Cb -0.01 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3h89 h SER 142 CO -0.06 0.15 -1.11 0.15 -0.87 0.00 0.00 176.83 175.08 3h89 h PHE 143 N 0.00 0.85 0.00 4.77 3.57 -1.74 -2.11 116.94 122.27 3h89 h PHE 143 Ca -0.00 -0.51 -0.07 0.00 3.53 0.00 0.00 57.97 60.92 3h89 h PHE 143 Cb 0.31 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3h89 h PHE 143 CO 0.00 1.35 -0.34 -0.07 -2.23 0.00 0.00 178.31 177.02 3h89 h LEU 144 N 0.27 0.00 -1.93 0.59 -0.00 -1.51 -2.80 115.31 109.92 3h89 h LEU 144 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3h89 h LEU 144 Cb 1.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 3h89 h LEU 144 CO 0.21 0.34 0.00 0.49 -0.00 0.00 0.00 178.44 179.48 3h89 n PHE 145 N -4.09 0.16 -1.70 1.13 3.72 -1.07 -4.92 117.46 110.70 3h89 n PHE 145 Ca -0.02 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3h89 n PHE 145 Cb 0.38 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.25 2.26 0.00 1.38 9.36 -0.80 -4.88 117.16 125.73 3h89 n TYR 146 Ca 0.16 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.91 3h89 n TYR 146 Cb 0.57 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 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 0.39 0.03 -3.74 2.98 4.01 -1.26 -2.29 118.16 118.26 3h89 n LYS 147 Ca 0.05 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.77 3h89 n LYS 147 Cb 0.37 -0.53 -0.02 0.00 -0.51 0.00 0.00 35.03 34.35 3h89 n LYS 147 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3h89 s GLU 148 N -1.05 1.65 0.26 1.97 4.04 -1.26 -2.82 118.70 121.49 3h89 s GLU 148 Ca 0.00 -0.85 0.00 0.00 0.04 0.00 0.00 54.97 54.16 3h89 s GLU 148 Cb 0.00 0.60 0.00 0.00 0.02 0.00 0.00 34.13 34.75 3h89 s GLU 148 CO 0.00 -0.75 0.00 0.41 -1.84 0.00 0.00 175.26 173.08 3h89 n GLY 149 N -0.44 -2.60 3.51 -3.83 0.00 -1.26 -4.78 105.19 95.79 3h89 n GLY 149 Ca -0.07 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.53 4.51 0.09 -0.61 -1.09 -1.26 -4.12 121.20 118.20 3h89 s ILE 150 Ca 0.00 0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 58.24 3h89 s ILE 150 Cb 0.00 -4.47 -0.09 0.00 -1.58 0.00 0.00 42.46 36.32 3h89 s ILE 150 CO 0.00 -1.02 1.66 -0.47 -1.23 0.00 0.00 174.94 173.88 3h89 s TYR 151 N 3.63 2.52 -0.17 3.97 5.04 0.24 -4.78 117.35 127.79 3h89 s TYR 151 Ca 0.27 0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 55.20 3h89 s TYR 151 Cb -0.14 -3.98 0.08 0.00 0.35 0.00 0.00 41.96 38.27 3h89 s TYR 151 CO 0.18 -3.90 0.23 0.12 -1.34 0.00 0.00 175.55 170.83 3h89 s PHE 152 N 2.35 -0.31 -0.33 4.97 5.36 -1.26 -1.88 117.98 126.88 3h89 s PHE 152 Ca 0.74 0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 57.14 3h89 s PHE 152 Cb -0.41 -0.26 0.06 0.00 -0.34 0.00 0.00 43.02 42.06 3h89 s PHE 152 CO 0.33 -0.50 0.06 -2.00 -1.46 0.00 0.00 175.22 171.64 3h89 s GLU 153 N 2.35 2.41 0.43 10.12 2.56 -1.26 -4.99 118.70 130.32 3h89 s GLU 153 Ca 0.05 -1.33 0.21 0.00 0.00 0.00 0.00 54.97 53.90 3h89 s GLU 153 Cb -0.14 -3.32 1.18 0.00 2.00 0.00 0.00 34.13 33.85 3h89 s GLU 153 CO -0.10 -0.71 1.81 -1.35 -0.56 0.00 0.00 175.26 174.34 3h89 h PRO 154 N 8.07 0.31 -0.23 4.30 0.11 -2.05 -0.20 132.00 142.31 3h89 h PRO 154 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3h89 h PRO 154 Cb 1.06 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3h89 h PRO 154 CO 0.58 0.21 0.00 -3.47 -0.21 0.00 0.00 178.00 175.10 3h89 n ASP 155 N -4.51 1.33 -4.77 -2.05 2.03 -1.26 -4.93 116.55 102.38 3h89 n ASP 155 Ca 0.23 -1.93 -0.34 0.00 0.52 0.00 0.00 54.79 53.28 3h89 n ASP 155 Cb 0.88 -0.15 0.04 0.00 -0.72 0.00 0.00 41.12 41.17 3h89 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h89 s SER 157 N -2.34 2.39 -0.24 0.00 0.15 -1.26 -4.74 113.70 107.66 3h89 s SER 157 Ca 0.69 -0.82 0.12 0.00 0.70 0.00 0.00 55.95 56.64 3h89 s SER 157 Cb -0.22 -0.12 0.48 0.00 -1.71 0.00 0.00 66.02 64.44 3h89 s SER 157 CO 0.39 -0.07 1.39 -1.54 1.20 0.00 0.00 173.24 174.61 3h89 n SER 158 N 0.49 2.65 0.00 5.45 3.41 -1.26 -3.29 113.62 121.06 3h89 n SER 158 Ca -0.15 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 3h89 n SER 158 Cb 0.57 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.03 2.39 -1.62 4.33 1.02 -1.26 -4.69 120.64 119.77 3h89 n GLU 159 Ca 0.27 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.17 3h89 n GLU 159 Cb 0.92 -0.79 0.07 0.00 -0.02 0.00 0.00 31.44 31.62 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 -1.20 5.37 -4.55 1.62 5.68 -1.26 -5.05 116.55 117.16 3h89 n ASP 160 Ca 0.00 -3.77 -0.50 0.00 -0.50 0.00 0.00 54.79 50.02 3h89 n ASP 160 Cb 0.19 -0.58 -0.04 0.00 -1.14 0.00 0.00 41.12 39.55 3h89 n ASP 160 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3h89 n MET 161 N -0.84 0.86 0.00 0.11 2.81 -1.26 -4.79 117.12 114.00 3h89 n MET 161 Ca 0.48 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.68 3h89 n MET 161 Cb 0.89 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 1.93 0.78 -3.93 7.83 5.68 -0.85 -4.88 116.55 123.09 3h89 n ASP 162 Ca 0.16 -0.95 -0.23 0.00 -0.50 0.00 0.00 54.79 53.27 3h89 n ASP 162 Cb 0.22 0.07 -0.17 0.00 -1.14 0.00 0.00 41.12 40.11 3h89 n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3h89 s HIS 163 N -0.07 1.14 -0.15 2.11 5.04 -0.37 -4.92 115.29 118.07 3h89 s HIS 163 Ca 0.00 -0.43 -0.19 0.00 -1.54 0.00 0.00 55.06 52.90 3h89 s HIS 163 Cb 0.00 -0.93 -0.04 0.00 0.04 0.00 0.00 32.58 31.65 3h89 s HIS 163 CO 0.00 -0.30 0.53 0.20 -2.34 0.00 0.00 174.74 172.83 3h89 s GLY 164 N 1.06 2.27 0.00 1.59 0.00 -1.26 0.06 107.32 111.04 3h89 s GLY 164 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3h89 s GLY 164 CO -0.01 0.97 0.00 3.33 0.00 0.00 0.00 173.10 177.40 3h89 n VAL 165 N 4.08 0.00 -4.04 1.40 0.24 0.58 -4.63 118.33 115.96 3h89 n VAL 165 Ca -0.05 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.06 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 1.23 -0.31 1.34 2.96 -0.76 -1.98 118.68 121.14 3h89 s LEU 166 Ca 0.00 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 53.67 3h89 s LEU 166 Cb 0.00 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 3h89 s LEU 166 CO 0.00 -0.08 0.40 -0.69 -1.32 0.00 0.00 176.35 174.66 3h89 s VAL 167 N 1.00 5.14 -2.22 1.68 1.01 0.43 0.12 120.40 127.56 3h89 s VAL 167 Ca -0.10 0.33 0.18 0.00 0.00 0.00 0.00 61.98 62.39 3h89 s VAL 167 Cb -0.14 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.58 3h89 s VAL 167 CO -0.01 -0.01 1.06 1.33 0.00 0.00 0.00 175.10 177.47 3h89 n VAL 168 N 5.23 0.00 -3.75 2.92 0.24 0.63 -0.78 118.33 122.82 3h89 n VAL 168 Ca -0.08 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3h89 n VAL 168 Cb 0.50 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 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 1.02 -1.37 3.74 7.63 0.00 -1.21 -1.29 105.19 113.71 3h89 n GLY 169 Ca 0.10 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.99 -0.28 -0.72 1.61 -0.85 0.91 0.63 117.35 115.66 3h89 s TYR 170 Ca 0.00 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.44 3h89 s TYR 170 Cb 0.00 0.67 0.00 0.00 0.38 0.00 0.00 41.96 43.01 3h89 s TYR 170 CO 0.00 -1.14 0.00 0.41 -1.52 0.00 0.00 175.55 173.30 3h89 n GLY 171 N -0.44 -0.57 3.24 5.49 0.00 -0.84 -0.97 105.19 111.09 3h89 n GLY 171 Ca -0.07 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.11 0.07 -0.09 1.61 -0.71 -1.26 -1.46 117.98 113.03 3h89 s PHE 172 Ca 0.00 -0.47 -0.02 0.00 -1.04 0.00 0.00 56.93 55.39 3h89 s PHE 172 Cb 0.00 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 3h89 s PHE 172 CO 0.00 -0.59 0.01 -1.21 -1.34 0.00 0.00 175.22 172.09 3h89 s GLU 173 N -3.85 3.04 -1.39 1.99 2.02 -1.26 -5.01 118.70 114.23 3h89 s GLU 173 Ca 0.05 -0.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.55 3h89 s GLU 173 Cb 0.04 -2.82 -0.11 0.00 0.10 0.00 0.00 34.13 31.34 3h89 s GLU 173 CO -0.11 0.69 3.05 0.43 0.02 0.00 0.00 175.26 179.34 3h89 n SER 174 N 2.19 8.25 0.00 -0.19 7.64 -1.26 -4.96 113.62 125.29 3h89 n SER 174 Ca -0.19 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.14 3h89 n SER 174 Cb 0.54 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 3h89 n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h89 n ASN 180 N 3.44 0.00 -4.92 6.43 6.94 -1.26 -5.33 115.26 120.55 3h89 n ASN 180 Ca 0.74 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 55.04 3h89 n ASN 180 Cb 0.32 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.73 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 3.53 -0.03 -3.83 -0.14 -1.26 -4.29 119.74 113.72 3h89 s LYS 181 Ca 0.00 -0.10 -0.29 0.00 -1.36 0.00 0.00 55.97 54.23 3h89 s LYS 181 Cb 0.00 -2.56 0.10 0.00 -1.68 0.00 0.00 37.83 33.69 3h89 s LYS 181 CO 0.00 0.04 0.85 1.52 -0.76 0.00 0.00 175.35 177.00 3h89 s TYR 182 N -2.42 -0.42 -0.14 3.18 -0.85 -0.54 -2.38 117.35 113.78 3h89 s TYR 182 Ca 0.43 0.48 -0.06 0.00 -0.52 0.00 0.00 57.07 57.40 3h89 s TYR 182 Cb -0.10 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3h89 s TYR 182 CO 0.38 -0.54 0.06 -1.58 -1.52 0.00 0.00 175.55 172.35 3h89 s TRP 183 N -2.36 3.28 -0.56 -3.49 0.52 0.93 -1.99 118.94 115.27 3h89 s TRP 183 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 56.10 56.02 3h89 s TRP 183 Cb -0.01 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3h89 s TRP 183 CO -0.04 0.33 1.09 -0.51 0.02 0.00 0.00 176.95 177.85 3h89 s LEU 184 N -0.21 3.71 -0.17 2.99 1.43 0.21 -1.92 118.68 124.70 3h89 s LEU 184 Ca 0.07 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3h89 s LEU 184 Cb -0.12 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3h89 s LEU 184 CO 0.01 -1.36 -0.01 -0.69 0.23 0.00 0.00 176.35 174.53 3h89 s VAL 185 N 4.52 4.03 -0.20 -1.59 1.01 -0.54 -0.27 120.40 127.36 3h89 s VAL 185 Ca 0.39 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3h89 s VAL 185 Cb -0.09 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3h89 s VAL 185 CO 0.24 0.47 0.35 -0.75 0.00 0.00 0.00 175.10 175.41 3h89 s LYS 186 N 0.55 4.17 0.51 2.72 2.20 0.32 -1.56 119.74 128.65 3h89 s LYS 186 Ca -0.02 0.12 0.09 0.00 -0.36 0.00 0.00 55.97 55.80 3h89 s LYS 186 Cb -0.14 -3.53 0.05 0.00 -1.51 0.00 0.00 37.83 32.70 3h89 s LYS 186 CO 0.02 0.00 0.66 1.21 -0.36 0.00 0.00 175.35 176.88 3h89 s ASN 187 N 0.99 5.23 -0.23 1.43 3.84 -0.96 -1.83 114.94 123.41 3h89 s ASN 187 Ca 0.17 -0.74 0.13 0.00 0.21 0.00 0.00 52.86 52.62 3h89 s ASN 187 Cb -0.14 -0.06 0.45 0.00 -0.55 0.00 0.00 41.25 40.96 3h89 s ASN 187 CO 0.07 -1.09 1.18 -1.54 -2.79 0.00 0.00 177.10 172.94 3h89 n SER 188 N -2.03 3.11 -1.15 -4.21 3.41 -1.26 -4.51 113.62 106.98 3h89 n SER 188 Ca 0.11 -3.34 0.08 0.00 -0.26 0.00 0.00 58.87 55.46 3h89 n SER 188 Cb 0.61 -0.41 0.29 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.69 1.22 0.00 7.33 7.02 -1.21 -0.23 117.44 130.88 3h89 n TRP 189 Ca 0.27 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 3h89 n TRP 189 Cb 0.88 -0.34 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 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 -0.10 -0.86 0.16 6.99 0.00 -0.48 -4.52 105.19 106.38 3h89 n GLY 190 Ca 0.23 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.97 1.22 0.02 1.61 0.28 -1.26 -3.58 120.64 117.95 3h89 n GLU 191 Ca 0.00 -0.32 0.12 0.00 -0.16 0.00 0.00 57.16 56.81 3h89 n GLU 191 Cb 0.00 -1.49 0.24 0.00 1.43 0.00 0.00 31.44 31.62 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 -0.61 0.11 -3.49 3.44 -0.58 -1.26 -3.10 120.64 115.14 3h89 n GLU 192 Ca 0.22 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.63 3h89 n GLU 192 Cb 0.19 -1.56 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 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 -3.06 3.62 0.00 -0.32 -0.00 -1.24 -4.88 118.94 113.06 3h89 s TRP 193 Ca 0.09 0.92 0.00 0.00 -0.00 0.00 0.00 56.10 57.11 3h89 s TRP 193 Cb 0.16 -2.25 0.00 0.00 -0.00 0.00 0.00 33.47 31.38 3h89 s TRP 193 CO 0.70 0.51 0.00 0.41 -0.00 0.00 0.00 176.95 178.57 3h89 n GLY 194 N 1.04 1.99 3.45 5.86 0.00 -0.97 -0.15 105.19 116.40 3h89 n GLY 194 Ca -0.08 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3h89 n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h89 s MET 195 N 0.00 3.88 -1.53 1.61 -1.94 0.12 -4.36 119.30 117.09 3h89 s MET 195 Ca 0.00 -2.29 -0.05 0.00 -1.71 0.00 0.00 55.69 51.64 3h89 s MET 195 Cb 0.00 -4.95 0.01 0.00 2.01 0.00 0.00 34.83 31.89 3h89 s MET 195 CO 0.00 -1.72 0.69 0.41 -0.01 0.00 0.00 175.02 174.39 3h89 n GLY 196 N 4.58 -0.53 1.04 -0.03 0.00 -1.24 -1.23 105.19 107.78 3h89 n GLY 196 Ca 0.30 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.59 0.81 3.80 -0.02 0.00 0.78 -4.58 105.19 104.39 3h89 n GLY 197 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 2.67 -0.17 1.61 1.51 -0.36 -2.26 117.35 117.78 3h89 s TYR 198 Ca 0.00 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.38 3h89 s TYR 198 Cb 0.00 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.90 3h89 s TYR 198 CO 0.00 0.08 0.48 0.54 -1.11 0.00 0.00 175.55 175.54 3h89 s VAL 199 N -2.51 0.00 -0.46 0.71 0.11 -0.60 0.14 120.40 117.78 3h89 s VAL 199 Ca 0.43 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 59.30 3h89 s VAL 199 Cb -0.00 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 34.22 3h89 s VAL 199 CO 0.25 -0.01 0.47 -0.54 -3.33 0.00 0.00 175.10 171.94 3h89 s LYS 200 N 0.19 3.06 -0.13 1.54 1.02 -1.26 -1.46 119.74 122.70 3h89 s LYS 200 Ca -0.01 -1.00 -0.19 0.00 0.02 0.00 0.00 55.97 54.80 3h89 s LYS 200 Cb -0.03 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.18 3h89 s LYS 200 CO 0.01 -1.01 0.50 -1.64 -0.92 0.00 0.00 175.35 172.28 3h89 s MET 201 N 2.10 4.32 0.02 1.68 -1.94 -0.81 0.82 119.30 125.50 3h89 s MET 201 Ca 0.10 0.47 -0.38 0.00 -1.71 0.00 0.00 55.69 54.17 3h89 s MET 201 Cb -0.20 -3.46 -0.17 0.00 2.01 0.00 0.00 34.83 33.01 3h89 s MET 201 CO 0.11 0.10 1.33 0.00 -0.01 0.00 0.00 175.02 176.54 3h89 n ALA 202 N 3.86 -1.47 -2.72 3.03 0.00 -0.79 -0.05 120.51 122.37 3h89 n ALA 202 Ca -0.06 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 3h89 n ALA 202 Cb 0.51 -2.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.81 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 0.70 2.90 -0.82 0.00 2.20 -1.00 -4.55 119.74 119.17 3h89 s LYS 203 Ca 0.87 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 3h89 s LYS 203 Cb -1.04 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3h89 s LYS 203 CO 0.51 0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 175.72 3h89 n ASP 204 N 2.79 -3.39 -2.01 1.43 8.00 -1.26 -4.48 116.55 117.63 3h89 n ASP 204 Ca -0.18 0.05 -0.25 0.00 0.71 0.00 0.00 54.79 55.13 3h89 n ASP 204 Cb 0.52 -2.41 0.11 0.00 -0.02 0.00 0.00 41.12 39.32 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 -2.09 2.63 -1.99 -1.24 5.12 -1.26 -4.87 116.66 112.95 3h89 n ARG 205 Ca -0.10 -3.41 -0.03 0.00 -1.93 0.00 0.00 57.85 52.38 3h89 n ARG 205 Cb 0.51 -2.17 0.01 0.00 -1.16 0.00 0.00 32.46 29.65 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 -0.96 -0.71 -3.70 5.56 1.74 -1.26 -4.23 116.66 113.10 3h89 n ARG 206 Ca 0.53 0.15 -0.30 0.00 -0.77 0.00 0.00 57.85 57.45 3h89 n ARG 206 Cb 0.99 -2.60 0.03 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.62 -5.32 -4.70 0.55 5.15 -1.26 -4.82 115.26 103.24 3h89 n ASN 207 Ca -0.03 -0.97 -0.42 0.00 -0.60 0.00 0.00 54.58 52.56 3h89 n ASN 207 Cb 0.52 -3.04 -0.03 0.00 -0.53 0.00 0.00 39.78 36.70 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 -3.87 2.67 -1.53 1.20 -0.00 -1.26 -0.79 115.22 111.64 3h89 n HIS 208 Ca -0.12 -0.10 -0.18 0.00 -0.00 0.00 0.00 57.72 57.32 3h89 n HIS 208 Cb 0.59 -2.72 -0.08 0.00 -0.00 0.00 0.00 29.99 27.79 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 -0.21 -0.33 0.27 0.00 0.00 0.03 -1.71 105.19 103.25 3h89 n GLY 210 Ca -0.18 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.85 0.97 -0.22 -0.61 1.08 -1.66 -2.84 117.51 112.39 3h89 h ILE 211 Ca -0.56 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3h89 h ILE 211 Cb 1.33 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 3h89 h ILE 211 CO 0.48 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.94 3h89 n ALA 212 N -2.55 2.77 0.19 1.87 0.00 -1.26 -4.56 120.51 116.96 3h89 n ALA 212 Ca -0.02 -2.19 0.12 0.00 0.00 0.00 0.00 53.44 51.35 3h89 n ALA 212 Cb 0.13 -0.61 0.11 0.00 0.00 0.00 0.00 19.45 19.08 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 1.51 0.00 -1.14 0.00 0.02 -1.78 -3.37 113.55 108.80 3h89 h SER 213 Ca 0.00 -0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.57 3h89 h SER 213 Cb 1.27 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.47 3h89 h SER 213 CO 0.16 0.00 -1.01 0.00 -1.14 0.00 0.00 176.83 174.84 3h89 n ALA 214 N -2.12 2.17 -2.67 3.77 0.00 -1.26 -4.93 120.51 115.46 3h89 n ALA 214 Ca 0.03 -2.82 -0.37 0.00 0.00 0.00 0.00 53.44 50.27 3h89 n ALA 214 Cb 0.53 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.09 3.73 0.21 0.00 0.00 -1.26 -3.59 121.76 118.76 3h89 s ALA 215 Ca 0.31 -0.41 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 3h89 s ALA 215 Cb 0.39 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 21.32 3h89 s ALA 215 CO -0.03 0.43 0.94 -1.54 0.00 0.00 0.00 175.76 175.56 3h89 s SER 216 N -0.68 -0.10 0.12 0.00 1.04 -0.38 -1.66 113.70 112.04 3h89 s SER 216 Ca 0.19 -0.61 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 3h89 s SER 216 Cb -0.14 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.61 3h89 s SER 216 CO 0.08 -1.08 0.60 -0.72 0.98 0.00 0.00 173.24 173.10 3h89 s TYR 217 N -2.87 -0.54 0.43 5.02 1.13 -1.12 -0.97 117.35 118.42 3h89 s TYR 217 Ca 0.15 0.43 -0.13 0.00 -1.41 0.00 0.00 57.07 56.11 3h89 s TYR 217 Cb -0.03 0.51 -0.07 0.00 -1.10 0.00 0.00 41.96 41.28 3h89 s TYR 217 CO 0.05 -0.80 0.83 -1.25 -2.51 0.00 0.00 175.55 171.87 3h89 s PRO 218 N -3.33 3.87 -0.23 -3.49 0.04 -1.26 -2.03 135.00 128.58 3h89 s PRO 218 Ca -0.01 0.66 -0.09 0.00 0.04 0.00 0.00 61.00 61.60 3h89 s PRO 218 Cb -0.01 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3h89 s PRO 218 CO -0.09 -0.08 0.11 0.95 0.04 0.00 0.00 177.00 177.94 3h89 s THR 219 N -2.38 4.95 -1.40 1.26 -4.23 -0.69 -4.92 115.64 108.23 3h89 s THR 219 Ca 0.54 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.20 3h89 s THR 219 Cb -0.10 -3.29 0.09 0.00 1.34 0.00 0.00 72.50 70.54 3h89 s THR 219 CO 0.29 0.37 0.85 1.33 -0.54 0.00 0.00 174.62 176.92