#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h86 n ASN 3 N 0.00 -0.54 -4.29 4.39 3.02 -1.26 -5.06 115.26 111.52 3h86 n ASN 3 Ca 0.00 -1.26 -0.34 0.00 -0.03 0.00 0.00 54.58 52.95 3h86 n ASN 3 Cb 0.00 -0.79 -0.15 0.00 -0.61 0.00 0.00 39.78 38.23 3h86 n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3h86 s LYS 4 N -5.16 3.29 -0.38 3.52 2.20 -1.26 -5.03 119.74 116.91 3h86 s LYS 4 Ca 0.58 -0.70 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 3h86 s LYS 4 Cb -0.03 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 3h86 s LYS 4 CO 0.42 -0.01 0.27 0.08 -0.36 0.00 0.00 175.35 175.75 3h86 s VAL 5 N 0.91 5.21 -0.19 4.02 1.01 -1.26 -1.82 120.40 128.28 3h86 s VAL 5 Ca -0.03 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 3h86 s VAL 5 Cb -0.15 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3h86 s VAL 5 CO -0.01 -0.18 0.13 -0.69 0.00 0.00 0.00 175.10 174.35 3h86 s VAL 6 N 1.69 5.38 -0.33 2.92 1.01 -0.94 0.15 120.40 130.28 3h86 s VAL 6 Ca 0.05 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 3h86 s VAL 6 Cb -0.18 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3h86 s VAL 6 CO 0.10 0.45 0.22 -0.69 0.00 0.00 0.00 175.10 175.18 3h86 s VAL 7 N 0.27 5.15 -0.41 2.92 1.01 -0.70 -0.51 120.40 128.13 3h86 s VAL 7 Ca 0.08 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 3h86 s VAL 7 Cb -0.11 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3h86 s VAL 7 CO -0.02 0.02 0.25 -0.69 0.00 0.00 0.00 175.10 174.66 3h86 s VAL 8 N 1.70 4.19 0.32 2.92 1.01 -0.85 0.47 120.40 130.16 3h86 s VAL 8 Ca 0.06 -1.39 0.08 0.00 0.00 0.00 0.00 61.98 60.73 3h86 s VAL 8 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3h86 s VAL 8 CO 0.10 -0.49 0.14 0.42 0.00 0.00 0.00 175.10 175.27 3h86 s THR 9 N 1.42 3.23 -0.04 3.92 -4.23 0.18 -2.09 115.64 118.04 3h86 s THR 9 Ca 0.03 -1.67 -0.31 0.00 -1.18 0.00 0.00 61.69 58.56 3h86 s THR 9 Cb -0.23 -3.01 0.13 0.00 1.34 0.00 0.00 72.50 70.73 3h86 s THR 9 CO 0.02 -0.22 1.33 -0.83 -0.54 0.00 0.00 174.62 174.38 3h86 s GLY 10 N -3.84 -0.43 0.30 3.99 0.00 -1.25 -1.14 107.32 104.95 3h86 s GLY 10 Ca 0.37 0.73 -0.07 0.00 0.00 0.00 0.00 44.72 45.75 3h86 s GLY 10 CO 0.23 0.43 0.59 -1.34 0.00 0.00 0.00 173.10 173.01 3h86 s VAL 11 N -2.30 4.96 0.29 1.40 -7.23 -1.26 -4.50 120.40 111.75 3h86 s VAL 11 Ca 0.15 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.29 3h86 s VAL 11 Cb 0.05 -3.71 -0.14 0.00 0.56 0.00 0.00 36.38 33.15 3h86 s VAL 11 CO -0.05 -0.30 1.09 -2.65 -0.31 0.00 0.00 175.10 172.88 3h86 n PRO 12 N -0.83 1.50 -0.51 4.82 -0.02 -1.26 -0.83 135.00 137.88 3h86 n PRO 12 Ca -0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3h86 n PRO 12 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3h86 n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h86 n GLY 13 N 1.26 1.18 0.14 -1.23 0.00 -1.26 -4.88 105.19 100.39 3h86 n GLY 13 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3h86 n GLY 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h86 h VAL 14 N 0.00 1.27 0.00 1.61 3.04 -1.33 -3.43 116.25 117.42 3h86 h VAL 14 Ca 0.00 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.48 3h86 h VAL 14 Cb 0.00 2.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 3h86 h VAL 14 CO 0.00 0.60 0.00 0.61 -1.01 0.00 0.00 177.57 177.77 3h86 n GLY 15 N 0.56 1.22 0.32 3.17 0.00 -1.26 -4.92 105.19 104.28 3h86 n GLY 15 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3h86 n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h86 h GLY 16 N 0.00 1.58 0.30 -0.02 0.00 -1.89 -2.20 103.07 100.84 3h86 h GLY 16 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3h86 h GLY 16 CO 0.00 -0.26 -0.06 -0.84 0.00 0.00 0.00 176.54 175.39 3h86 h THR 17 N 0.43 0.96 -0.08 4.70 2.02 -1.93 -1.61 112.91 117.40 3h86 h THR 17 Ca 0.57 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.51 3h86 h THR 17 Cb 1.07 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 3h86 h THR 17 CO -0.52 0.26 -0.22 0.71 0.37 0.00 0.00 175.52 176.13 3h86 h THR 18 N -0.86 0.46 -0.35 3.16 1.35 -1.96 0.29 112.91 115.01 3h86 h THR 18 Ca -0.02 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.90 3h86 h THR 18 Cb 0.55 0.46 -0.05 0.00 -1.73 0.00 0.00 68.15 67.39 3h86 h THR 18 CO 0.03 0.00 0.06 0.58 -0.25 0.00 0.00 175.52 175.94 3h86 h VAL 19 N -0.31 0.81 -0.02 6.82 2.07 -1.36 0.40 116.25 124.67 3h86 h VAL 19 Ca 0.09 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.55 3h86 h VAL 19 Cb 0.43 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3h86 h VAL 19 CO -0.26 0.03 -0.11 0.74 0.02 0.00 0.00 177.57 178.00 3h86 h THR 20 N 0.18 0.00 -0.42 2.57 2.02 -0.74 -1.55 112.91 114.97 3h86 h THR 20 Ca 0.17 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.43 3h86 h THR 20 Cb 0.20 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.52 3h86 h THR 20 CO -0.23 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.06 3h86 h GLN 21 N -0.12 -0.07 0.00 6.66 1.08 0.11 0.53 115.11 123.30 3h86 h GLN 21 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3h86 h GLN 21 Cb 0.14 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3h86 h GLN 21 CO -0.08 -0.05 0.00 1.63 -0.95 0.00 0.00 178.83 179.38 3h86 n LYS 22 N -5.36 0.17 -0.01 1.46 5.02 0.13 -2.12 118.16 117.44 3h86 n LYS 22 Ca 0.03 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.67 3h86 n LYS 22 Cb 0.27 -1.93 -0.14 0.00 -0.02 0.00 0.00 35.03 33.21 3h86 n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h86 h ALA 23 N 2.12 0.09 -0.37 7.82 0.00 0.11 -3.29 119.26 125.73 3h86 h ALA 23 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 54.91 53.95 3h86 h ALA 23 Cb 0.17 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3h86 h ALA 23 CO 0.00 0.54 -0.05 0.52 0.00 0.00 0.00 179.25 180.25 3h86 h MET 24 N -0.56 0.60 -0.14 0.00 2.86 -0.73 -2.65 114.93 114.31 3h86 h MET 24 Ca -0.21 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.27 3h86 h MET 24 Cb 1.51 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 3h86 h MET 24 CO 0.03 0.66 0.08 -0.44 1.06 0.00 0.00 176.91 178.30 3h86 h ASP 25 N 0.57 0.13 0.03 1.22 3.32 -1.56 1.22 116.42 121.35 3h86 h ASP 25 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3h86 h ASP 25 Cb 0.44 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3h86 h ASP 25 CO 0.02 0.10 -0.05 0.40 -1.72 0.00 0.00 179.24 177.99 3h86 h ILE 26 N 0.17 1.07 0.06 0.35 2.04 -1.61 -2.81 117.51 116.78 3h86 h ILE 26 Ca 0.05 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.40 3h86 h ILE 26 Cb -0.00 1.09 0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3h86 h ILE 26 CO -0.03 0.09 -0.89 -0.07 0.00 0.00 0.00 178.15 177.25 3h86 h LEU 27 N 0.07 0.68 -0.65 1.44 3.38 -0.83 -3.30 115.31 116.10 3h86 h LEU 27 Ca 0.02 -0.81 0.12 0.00 0.09 0.00 0.00 57.88 57.30 3h86 h LEU 27 Cb 0.14 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.55 3h86 h LEU 27 CO 0.01 1.41 -0.24 0.28 0.09 0.00 0.00 178.44 179.99 3h86 h SER 28 N 0.03 -0.85 0.32 -0.43 0.02 0.17 0.56 113.55 113.36 3h86 h SER 28 Ca -0.13 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3h86 h SER 28 Cb 1.61 0.49 -0.00 0.00 0.14 0.00 0.00 62.40 64.63 3h86 h SER 28 CO 0.17 -0.26 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.23 3h86 h GLU 29 N -0.07 0.00 0.08 3.45 5.08 -1.64 -2.97 114.58 118.50 3h86 h GLU 29 Ca 0.29 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.33 3h86 h GLU 29 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3h86 h GLU 29 CO -0.70 0.04 -1.78 1.05 -1.00 0.00 0.00 179.01 176.63 3h86 h GLU 30 N 0.00 0.16 0.00 2.33 4.11 -1.01 -3.49 114.58 116.68 3h86 h GLU 30 Ca -0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3h86 h GLU 30 Cb 0.21 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3h86 h GLU 30 CO 0.01 0.92 0.00 0.41 0.07 0.00 0.00 179.01 180.42 3h86 n GLY 31 N 1.75 1.91 3.55 1.06 0.00 -0.64 -5.13 105.19 107.69 3h86 n GLY 31 Ca -0.22 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3h86 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h86 s LEU 32 N 0.00 3.71 -1.13 0.99 2.01 -1.18 -4.96 118.68 118.13 3h86 s LEU 32 Ca 0.00 -0.20 -0.08 0.00 0.01 0.00 0.00 54.13 53.85 3h86 s LEU 32 Cb 0.00 -2.92 0.27 0.00 0.01 0.00 0.00 46.19 43.55 3h86 s LEU 32 CO 0.00 -1.43 1.30 0.59 1.01 0.00 0.00 176.35 177.82 3h86 n ASN 33 N 8.16 5.71 -4.63 2.29 3.02 -1.26 -3.39 115.26 125.16 3h86 n ASN 33 Ca 0.05 -3.14 -0.30 0.00 -0.03 0.00 0.00 54.58 51.16 3h86 n ASN 33 Cb 0.48 -1.38 0.19 0.00 -0.61 0.00 0.00 39.78 38.46 3h86 n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h86 s TYR 34 N -1.26 1.57 0.57 3.10 1.51 -1.26 -4.35 117.35 117.24 3h86 s TYR 34 Ca 0.33 1.62 -0.00 0.00 -1.01 0.00 0.00 57.07 58.01 3h86 s TYR 34 Cb -0.04 -3.26 0.04 0.00 -0.11 0.00 0.00 41.96 38.58 3h86 s TYR 34 CO -0.02 -3.08 0.81 0.21 -1.11 0.00 0.00 175.55 172.37 3h86 s LYS 35 N -4.61 2.50 -0.14 -0.62 2.47 0.48 -4.95 119.74 114.88 3h86 s LYS 35 Ca 0.67 -0.69 0.15 0.00 -1.56 0.00 0.00 55.97 54.53 3h86 s LYS 35 Cb -0.23 -2.44 0.34 0.00 -1.46 0.00 0.00 37.83 34.04 3h86 s LYS 35 CO 0.60 -0.79 1.17 -1.33 0.16 0.00 0.00 175.35 175.16 3h86 n MET 36 N -2.43 1.13 -1.20 4.03 2.81 -1.26 -3.40 117.12 116.80 3h86 n MET 36 Ca 0.08 -2.69 -0.37 0.00 -1.81 0.00 0.00 57.70 52.90 3h86 n MET 36 Cb 0.60 -1.26 0.04 0.00 -0.71 0.00 0.00 33.22 31.89 3h86 n MET 36 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3h86 n VAL 37 N -0.89 0.74 -3.62 2.03 0.31 -1.23 -4.84 118.33 110.82 3h86 n VAL 37 Ca 0.15 -0.46 -0.29 0.00 -0.01 0.00 0.00 64.34 63.73 3h86 n VAL 37 Cb 0.74 -0.31 -0.13 0.00 -0.91 0.00 0.00 33.84 33.23 3h86 n VAL 37 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3h86 s ASN 38 N -1.20 3.43 0.66 4.52 3.84 -1.26 -2.46 114.94 122.46 3h86 s ASN 38 Ca 0.57 -2.41 0.23 0.00 0.21 0.00 0.00 52.86 51.46 3h86 s ASN 38 Cb -0.37 -0.80 1.24 0.00 -0.55 0.00 0.00 41.25 40.77 3h86 s ASN 38 CO 0.66 -0.29 1.70 0.15 -2.79 0.00 0.00 177.10 176.53 3h86 h PHE 39 N 6.91 0.00 0.02 0.43 3.04 -1.56 0.14 116.94 125.92 3h86 h PHE 39 Ca 0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 3h86 h PHE 39 Cb 0.95 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.46 3h86 h PHE 39 CO 0.46 0.00 -0.01 0.78 -2.02 0.00 0.00 178.31 177.52 3h86 h GLY 40 N 0.00 -0.03 2.00 2.40 0.00 -1.96 -3.14 103.07 102.35 3h86 h GLY 40 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3h86 h GLY 40 CO -0.00 -0.01 0.00 1.76 0.00 0.00 0.00 176.54 178.29 3h86 h SER 41 N -0.93 0.00 -0.16 0.19 0.02 -1.40 -2.24 113.55 109.03 3h86 h SER 41 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3h86 h SER 41 Cb 0.72 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3h86 h SER 41 CO 0.01 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 175.52 3h86 h ALA 42 N 2.01 -0.08 -0.01 3.77 0.00 -1.22 -2.07 119.26 121.67 3h86 h ALA 42 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h86 h ALA 42 Cb 0.05 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h86 h ALA 42 CO 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.63 3h86 n MET 43 N -5.32 1.09 0.00 0.00 0.00 -0.85 -3.22 117.12 108.82 3h86 n MET 43 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 57.70 57.60 3h86 n MET 43 Cb 0.24 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.03 3h86 n MET 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h86 n PHE 44 N -0.79 0.00 0.14 3.17 7.35 -0.84 -2.69 117.46 123.81 3h86 n PHE 44 Ca 0.21 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 57.01 3h86 n PHE 44 Cb 0.13 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.01 3h86 n PHE 44 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3h86 h ASP 45 N 1.49 0.00 -0.27 -2.13 3.32 -1.37 -3.34 116.42 114.12 3h86 h ASP 45 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h86 h ASP 45 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h86 h ASP 45 CO 0.00 0.01 0.00 0.52 -1.72 0.00 0.00 179.24 178.05 3h86 n VAL 46 N -2.82 1.38 -0.03 -1.35 0.31 -1.24 -4.55 118.33 110.02 3h86 n VAL 46 Ca 0.01 -1.29 -0.05 0.00 -0.01 0.00 0.00 64.34 63.01 3h86 n VAL 46 Cb 0.55 0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 33.73 3h86 n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h86 n ALA 47 N 0.06 1.67 -0.05 3.52 0.00 -1.09 -3.98 120.51 120.64 3h86 n ALA 47 Ca 0.13 -0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.15 3h86 n ALA 47 Cb 0.54 0.11 0.39 0.00 0.00 0.00 0.00 19.45 20.49 3h86 n ALA 47 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3h86 h ASN 48 N -0.54 0.55 -0.02 0.00 2.35 -1.84 1.09 115.58 117.18 3h86 h ASN 48 Ca 0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3h86 h ASN 48 Cb 0.54 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3h86 h ASN 48 CO 0.00 0.40 0.37 -0.08 -1.65 0.00 0.00 177.43 176.47 3h86 h GLU 49 N 0.65 0.00 0.00 0.81 4.22 -1.81 -2.97 114.58 115.48 3h86 h GLU 49 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 3h86 h GLU 49 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3h86 h GLU 49 CO -0.04 0.00 -0.45 0.39 -2.18 0.00 0.00 179.01 176.72 3h86 n GLU 50 N -2.90 0.10 -3.27 1.92 1.02 0.13 -5.05 120.64 112.59 3h86 n GLU 50 Ca -0.01 -1.10 -0.13 0.00 -0.02 0.00 0.00 57.16 55.89 3h86 n GLU 50 Cb 0.43 -0.57 0.04 0.00 -0.02 0.00 0.00 31.44 31.32 3h86 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h86 n GLY 51 N -0.10 -1.17 0.00 0.62 0.00 0.33 -4.98 105.19 99.89 3h86 n GLY 51 Ca 0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3h86 n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h86 n LEU 52 N -2.92 0.26 -4.76 0.99 4.77 -1.05 -5.01 117.00 109.28 3h86 n LEU 52 Ca -0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.60 3h86 n LEU 52 Cb 0.58 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 3h86 n LEU 52 CO 0.58 0.04 -0.23 0.00 -1.33 0.00 0.00 177.39 176.46 3h86 s ALA 53 N -1.95 4.05 0.00 -1.18 0.00 -1.26 -4.86 121.76 116.57 3h86 s ALA 53 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3h86 s ALA 53 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3h86 s ALA 53 CO 0.00 -0.07 0.52 0.43 0.00 0.00 0.00 175.76 176.64 3h86 n SER 54 N -1.28 0.68 -2.18 0.00 7.64 -1.26 -4.68 113.62 112.53 3h86 n SER 54 Ca -0.16 -1.26 0.01 0.00 1.01 0.00 0.00 58.87 58.47 3h86 n SER 54 Cb 0.67 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 3h86 n SER 54 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3h86 n ASP 55 N -0.13 -0.50 -0.60 6.43 5.68 -1.26 -5.02 116.55 121.14 3h86 n ASP 55 Ca 0.00 -1.11 0.03 0.00 -0.50 0.00 0.00 54.79 53.22 3h86 n ASP 55 Cb 0.30 0.78 0.12 0.00 -1.14 0.00 0.00 41.12 41.18 3h86 n ASP 55 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3h86 n ARG 56 N -0.38 1.78 0.00 0.11 1.85 -1.26 -3.22 116.66 115.53 3h86 n ARG 56 Ca 0.02 -0.93 0.00 0.00 -1.00 0.00 0.00 57.85 55.94 3h86 n ARG 56 Cb 0.24 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3h86 n ARG 56 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3h86 n ASP 57 N 0.22 1.27 -1.39 2.89 10.43 -1.26 -4.74 116.55 123.97 3h86 n ASP 57 Ca 0.09 -1.54 -0.11 0.00 2.57 0.00 0.00 54.79 55.80 3h86 n ASP 57 Cb 0.31 0.00 0.11 0.00 1.84 0.00 0.00 41.12 43.38 3h86 n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h86 n GLN 58 N -0.27 2.70 -0.06 -1.24 6.02 -1.20 -4.73 117.38 118.61 3h86 n GLN 58 Ca 0.00 -3.78 -0.07 0.00 -0.01 0.00 0.00 57.00 53.14 3h86 n GLN 58 Cb 0.25 -1.98 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 3h86 n GLN 58 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3h86 n MET 59 N -0.90 1.18 -0.46 -1.09 2.81 -1.26 -4.40 117.12 113.00 3h86 n MET 59 Ca 0.33 0.04 0.04 0.00 -1.81 0.00 0.00 57.70 56.30 3h86 n MET 59 Cb 0.85 -1.26 0.21 0.00 -0.71 0.00 0.00 33.22 32.31 3h86 n MET 59 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3h86 n ARG 60 N -2.67 3.02 -0.03 0.03 1.85 -1.26 -3.45 116.66 114.14 3h86 n ARG 60 Ca -0.20 -1.66 0.01 0.00 -1.00 0.00 0.00 57.85 55.00 3h86 n ARG 60 Cb 0.78 -1.88 0.03 0.00 -1.05 0.00 0.00 32.46 30.34 3h86 n ARG 60 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3h86 n LYS 61 N 0.35 2.94 -3.19 2.89 4.76 -1.26 -4.74 118.16 119.90 3h86 n LYS 61 Ca 0.15 -1.61 -0.18 0.00 -2.87 0.00 0.00 58.31 53.79 3h86 n LYS 61 Cb 0.73 -1.05 0.01 0.00 -1.84 0.00 0.00 35.03 32.87 3h86 n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h86 s LEU 62 N -1.06 3.78 0.62 -0.35 1.43 -1.22 -5.12 118.68 116.76 3h86 s LEU 62 Ca 0.04 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3h86 s LEU 62 Cb 0.03 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3h86 s LEU 62 CO 0.02 -0.63 1.05 1.51 0.23 0.00 0.00 176.35 178.53 3h86 s ASP 63 N -4.27 5.74 0.26 2.29 -4.77 -1.26 -4.94 116.67 109.71 3h86 s ASP 63 Ca 0.50 1.71 -0.05 0.00 -3.30 0.00 0.00 52.55 51.41 3h86 s ASP 63 Cb -0.10 -2.52 0.50 0.00 -1.09 0.00 0.00 42.92 39.71 3h86 s ASP 63 CO 0.33 -1.20 1.62 -0.65 0.70 0.00 0.00 175.17 175.97 3h86 h PRO 64 N 0.06 0.09 0.00 2.11 0.11 -1.99 -1.95 132.00 130.42 3h86 h PRO 64 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h86 h PRO 64 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h86 h PRO 64 CO 0.58 0.06 0.00 -1.91 -0.21 0.00 0.00 178.00 176.51 3h86 n GLU 65 N -5.38 0.05 -0.07 1.05 2.13 -1.26 -2.75 120.64 114.42 3h86 n GLU 65 Ca 0.15 0.33 -0.21 0.00 0.66 0.00 0.00 57.16 58.09 3h86 n GLU 65 Cb 0.53 -1.60 -0.12 0.00 0.27 0.00 0.00 31.44 30.51 3h86 n GLU 65 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3h86 h THR 66 N 0.00 0.97 0.07 6.31 2.02 -1.73 -3.39 112.91 117.17 3h86 h THR 66 Ca 0.00 -2.26 -0.25 0.00 0.77 0.00 0.00 66.41 64.68 3h86 h THR 66 Cb 0.25 2.46 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3h86 h THR 66 CO 0.00 0.49 -1.11 1.56 0.37 0.00 0.00 175.52 176.84 3h86 h GLN 67 N -0.72 0.27 0.00 6.66 4.20 -1.59 -3.37 115.11 120.56 3h86 h GLN 67 Ca -0.32 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.00 3h86 h GLN 67 Cb 1.46 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.38 3h86 h GLN 67 CO -0.10 1.14 0.00 1.63 -0.67 0.00 0.00 178.83 180.83 3h86 n LYS 68 N -3.58 0.94 -0.09 1.46 5.02 -1.11 -2.14 118.16 118.66 3h86 n LYS 68 Ca -0.07 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.05 3h86 n LYS 68 Cb 0.95 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 3h86 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h86 h ARG 69 N 0.00 0.00 -0.10 1.97 3.08 -1.76 -3.40 114.38 114.17 3h86 h ARG 69 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h86 h ARG 69 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h86 h ARG 69 CO 0.00 0.77 0.00 -0.89 -1.07 0.00 0.00 179.97 178.78 3h86 n ILE 70 N -4.50 0.00 -0.06 2.04 2.08 -0.91 -2.99 119.36 115.02 3h86 n ILE 70 Ca -0.24 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.03 3h86 n ILE 70 Cb 0.55 -0.11 -0.02 0.00 -0.75 0.00 0.00 39.64 39.31 3h86 n ILE 70 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3h86 n GLN 71 N -0.43 0.36 0.00 0.38 6.02 -1.10 -4.20 117.38 118.41 3h86 n GLN 71 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 3h86 n GLN 71 Cb 0.02 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3h86 n GLN 71 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3h86 n LYS 72 N -4.04 0.00 -0.10 -1.09 4.81 -1.16 -1.82 118.16 114.76 3h86 n LYS 72 Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.14 3h86 n LYS 72 Cb 0.26 -1.35 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 3h86 n LYS 72 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3h86 n MET 73 N -0.85 0.63 0.12 1.64 2.81 -1.26 -4.06 117.12 116.16 3h86 n MET 73 Ca 0.00 0.29 0.03 0.00 -1.81 0.00 0.00 57.70 56.21 3h86 n MET 73 Cb 0.00 -1.59 0.41 0.00 -0.71 0.00 0.00 33.22 31.33 3h86 n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3h86 h ALA 74 N -0.42 1.56 -0.97 3.04 0.00 -1.53 -2.01 119.26 118.93 3h86 h ALA 74 Ca -0.55 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.35 3h86 h ALA 74 Cb 1.72 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.25 3h86 h ALA 74 CO -0.19 0.32 -0.33 0.41 0.00 0.00 0.00 179.25 179.45 3h86 n GLY 75 N -0.97 -1.87 0.09 0.00 0.00 -0.89 0.16 105.19 101.72 3h86 n GLY 75 Ca -0.01 1.07 -0.08 0.00 0.00 0.00 0.00 46.02 47.01 3h86 n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h86 n ARG 76 N -5.49 0.68 -0.34 1.61 1.85 -1.21 -3.19 116.66 110.57 3h86 n ARG 76 Ca 0.12 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 57.04 3h86 n ARG 76 Cb 0.43 -1.56 0.24 0.00 -1.05 0.00 0.00 32.46 30.52 3h86 n ARG 76 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3h86 h LYS 77 N 0.00 0.99 0.02 2.89 1.79 -0.65 0.31 116.57 121.91 3h86 h LYS 77 Ca -0.47 -0.06 -0.27 0.00 -2.18 0.00 0.00 60.65 57.67 3h86 h LYS 77 Cb 2.11 -0.22 0.02 0.00 -1.58 0.00 0.00 32.23 32.56 3h86 h LYS 77 CO 0.03 0.65 -1.07 0.82 -1.08 0.00 0.00 179.45 178.81 3h86 h ILE 78 N 1.02 1.29 -0.95 1.86 2.04 0.15 -3.22 117.51 119.69 3h86 h ILE 78 Ca 0.45 -2.29 0.21 0.00 1.00 0.00 0.00 64.86 64.23 3h86 h ILE 78 Cb 0.37 2.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.80 3h86 h ILE 78 CO -0.21 0.71 0.62 0.00 0.00 0.00 0.00 178.15 179.26 3h86 h ALA 79 N 0.41 2.13 -0.37 1.87 0.00 -1.31 0.31 119.26 122.30 3h86 h ALA 79 Ca -0.14 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3h86 h ALA 79 Cb 1.72 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 3h86 h ALA 79 CO 0.21 -0.45 0.12 0.93 0.00 0.00 0.00 179.25 180.06 3h86 h GLU 80 N 0.46 0.26 0.00 0.00 5.08 -0.42 -2.16 114.58 117.81 3h86 h GLU 80 Ca 0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3h86 h GLU 80 Cb 1.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3h86 h GLU 80 CO -0.22 0.17 0.00 1.98 -1.00 0.00 0.00 179.01 179.94 3h86 h MET 81 N 0.27 0.00 0.00 2.33 4.05 -0.44 0.81 114.93 121.95 3h86 h MET 81 Ca 0.17 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.54 3h86 h MET 81 Cb 0.16 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 3h86 h MET 81 CO -0.18 0.00 -0.26 0.00 0.23 0.00 0.00 176.91 176.70 3h86 h ALA 82 N 2.06 0.87 0.00 0.39 0.00 -1.18 -2.16 119.26 119.25 3h86 h ALA 82 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h86 h ALA 82 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h86 h ALA 82 CO 0.00 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.20 3h86 n LYS 83 N -3.22 0.98 0.00 0.00 5.02 0.28 -4.06 118.16 117.16 3h86 n LYS 83 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3h86 n LYS 83 Cb 0.57 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 3h86 n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h86 n GLU 84 N 1.01 0.00 -3.72 1.97 -0.58 -0.86 -5.09 120.64 113.37 3h86 n GLU 84 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3h86 n GLU 84 Cb 0.49 -0.13 -0.04 0.00 -0.57 0.00 0.00 31.44 31.18 3h86 n GLU 84 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h86 s SER 85 N -2.92 -0.22 0.06 1.62 1.04 -0.90 -5.12 113.70 107.25 3h86 s SER 85 Ca 0.00 -0.46 -0.31 0.00 0.48 0.00 0.00 55.95 55.67 3h86 s SER 85 Cb 0.00 0.52 -0.08 0.00 0.10 0.00 0.00 66.02 66.56 3h86 s SER 85 CO 0.00 -0.96 1.68 -2.84 0.98 0.00 0.00 173.24 172.10 3h86 s PRO 86 N -3.86 4.19 0.40 4.02 0.02 -1.26 -4.40 135.00 134.11 3h86 s PRO 86 Ca 0.08 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 3h86 s PRO 86 Cb 0.01 -3.66 -0.02 0.00 0.02 0.00 0.00 34.50 30.84 3h86 s PRO 86 CO -0.06 -0.76 0.63 0.08 -0.33 0.00 0.00 177.00 176.55 3h86 s VAL 87 N 2.86 4.73 -0.31 3.83 1.01 -0.75 -0.39 120.40 131.37 3h86 s VAL 87 Ca 0.75 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.35 3h86 s VAL 87 Cb -0.40 -3.74 0.12 0.00 0.00 0.00 0.00 36.38 32.36 3h86 s VAL 87 CO 0.33 -0.54 0.20 0.00 0.00 0.00 0.00 175.10 175.09 3h86 s ALA 88 N -2.46 0.47 -0.61 5.51 0.00 -1.22 -2.21 121.76 121.23 3h86 s ALA 88 Ca 0.44 -1.20 -0.25 0.00 0.00 0.00 0.00 51.96 50.94 3h86 s ALA 88 Cb -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.50 3h86 s ALA 88 CO 0.38 -1.84 1.07 0.08 0.00 0.00 0.00 175.76 175.45 3h86 s VAL 89 N 1.78 4.16 -0.67 0.00 1.01 0.34 -3.57 120.40 123.44 3h86 s VAL 89 Ca 0.12 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 3h86 s VAL 89 Cb -0.18 -4.68 0.04 0.00 0.00 0.00 0.00 36.38 31.56 3h86 s VAL 89 CO -0.22 -1.36 1.18 -0.62 0.00 0.00 0.00 175.10 174.08 3h86 s ASP 90 N 3.16 6.24 0.00 3.32 2.15 -1.03 -2.01 116.67 128.49 3h86 s ASP 90 Ca 0.33 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.90 3h86 s ASP 90 Cb -0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3h86 s ASP 90 CO 0.19 -1.64 0.00 1.07 -0.17 0.00 0.00 175.17 174.62 3h86 n THR 91 N 6.35 0.00 -4.32 1.71 5.66 -0.89 -1.40 114.28 121.40 3h86 n THR 91 Ca 0.03 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 3h86 n THR 91 Cb 0.48 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.10 3h86 n THR 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3h86 s HIS 92 N -0.88 1.56 0.11 1.09 3.76 -1.26 -3.79 115.29 115.88 3h86 s HIS 92 Ca 0.00 -0.68 -0.28 0.00 -0.15 0.00 0.00 55.06 53.94 3h86 s HIS 92 Cb 0.00 -1.19 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 3h86 s HIS 92 CO 0.00 -0.40 1.62 1.03 -0.85 0.00 0.00 174.74 176.14 3h86 h SER 93 N 7.48 -0.89 -1.98 1.40 0.87 -1.91 -3.28 113.55 115.23 3h86 h SER 93 Ca -0.31 0.10 -0.60 0.00 -1.23 0.00 0.00 61.79 59.76 3h86 h SER 93 Cb 1.16 0.34 -0.13 0.00 -0.44 0.00 0.00 62.40 63.33 3h86 h SER 93 CO 0.46 -0.40 -0.54 0.42 -0.53 0.00 0.00 176.83 176.23 3h86 s THR 94 N -6.02 1.11 -0.14 2.23 -4.23 -1.26 -1.26 115.64 106.07 3h86 s THR 94 Ca -0.16 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3h86 s THR 94 Cb 0.08 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.47 3h86 s THR 94 CO 0.64 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.87 3h86 s VAL 95 N -3.04 1.67 -0.17 2.29 1.01 0.35 -4.76 120.40 117.76 3h86 s VAL 95 Ca 0.22 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 3h86 s VAL 95 Cb 0.04 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 3h86 s VAL 95 CO 0.11 0.47 2.17 0.29 0.00 0.00 0.00 175.10 178.15 3h86 n LYS 96 N 4.47 2.13 -3.90 2.72 5.02 -1.26 -2.36 118.16 124.98 3h86 n LYS 96 Ca -0.18 0.64 -0.10 0.00 -2.02 0.00 0.00 58.31 56.64 3h86 n LYS 96 Cb 0.51 -3.17 -0.09 0.00 -0.02 0.00 0.00 35.03 32.25 3h86 n LYS 96 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h86 s THR 97 N 7.47 0.12 0.23 -0.18 -4.23 -1.17 -5.01 115.64 112.87 3h86 s THR 97 Ca 0.99 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 3h86 s THR 97 Cb -0.37 -0.75 0.31 0.00 1.34 0.00 0.00 72.50 73.02 3h86 s THR 97 CO 0.37 -0.53 1.42 -2.65 -0.54 0.00 0.00 174.62 172.70 3h86 n PRO 98 N 0.96 -0.16 0.04 3.99 -0.02 -1.26 0.29 135.00 138.85 3h86 n PRO 98 Ca -0.20 1.42 0.03 0.00 -2.02 0.00 0.00 63.50 62.72 3h86 n PRO 98 Cb 0.58 -2.11 0.14 0.00 -0.02 0.00 0.00 33.50 32.09 3h86 n PRO 98 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h86 n LYS 99 N -5.41 0.03 0.00 -0.52 4.76 -1.26 -5.01 118.16 110.76 3h86 n LYS 99 Ca 0.12 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 3h86 n LYS 99 Cb 0.41 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3h86 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h86 n GLY 100 N -1.43 -0.36 3.62 0.72 0.00 0.86 -4.99 105.19 103.60 3h86 n GLY 100 Ca -0.00 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 3h86 n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h86 s TYR 101 N -0.09 2.65 -0.17 1.61 2.02 -1.26 -3.01 117.35 119.09 3h86 s TYR 101 Ca 0.00 0.83 -0.08 0.00 -0.37 0.00 0.00 57.07 57.45 3h86 s TYR 101 Cb 0.00 -4.02 -0.04 0.00 -0.40 0.00 0.00 41.96 37.49 3h86 s TYR 101 CO 0.00 -1.70 0.11 -1.17 -1.57 0.00 0.00 175.55 171.21 3h86 s LEU 102 N 4.58 4.10 0.23 -1.29 2.96 -0.99 -4.81 118.68 123.45 3h86 s LEU 102 Ca 0.56 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 3h86 s LEU 102 Cb -0.15 -2.04 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 3h86 s LEU 102 CO 0.25 0.23 1.42 -2.84 -1.32 0.00 0.00 176.35 174.09 3h86 s PRO 103 N 0.03 4.29 0.09 0.98 0.02 -1.26 0.13 135.00 139.28 3h86 s PRO 103 Ca 0.08 2.24 0.26 0.00 0.02 0.00 0.00 61.00 63.60 3h86 s PRO 103 Cb -0.12 -3.14 0.77 0.00 0.02 0.00 0.00 34.50 32.04 3h86 s PRO 103 CO -0.00 -0.39 1.65 0.41 -0.33 0.00 0.00 177.00 178.33 3h86 n GLY 104 N 2.39 -1.49 2.49 0.52 0.00 -0.39 -4.37 105.19 104.35 3h86 n GLY 104 Ca 0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3h86 n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h86 n LEU 105 N -1.85 -1.48 -4.74 0.99 4.77 -1.26 -4.82 117.00 108.61 3h86 n LEU 105 Ca 0.05 -3.95 -0.35 0.00 -0.03 0.00 0.00 56.01 51.74 3h86 n LEU 105 Cb 0.39 0.74 0.07 0.00 -2.33 0.00 0.00 43.42 42.29 3h86 n LEU 105 CO 0.32 2.03 0.81 -2.16 -1.33 0.00 0.00 177.39 177.05 3h86 s PRO 106 N -0.16 2.45 0.09 3.23 0.05 -1.26 -4.34 135.00 135.06 3h86 s PRO 106 Ca 0.33 1.76 -0.13 0.00 0.05 0.00 0.00 61.00 63.02 3h86 s PRO 106 Cb 0.19 -1.87 0.03 0.00 0.05 0.00 0.00 34.50 32.90 3h86 s PRO 106 CO -0.18 -1.60 0.77 0.00 0.05 0.00 0.00 177.00 176.04 3h86 n ALA 107 N -2.35 -0.21 0.10 8.56 0.00 -1.26 0.97 120.51 126.32 3h86 n ALA 107 Ca 0.13 0.45 0.18 0.00 0.00 0.00 0.00 53.44 54.21 3h86 n ALA 107 Cb 0.50 -0.13 0.74 0.00 0.00 0.00 0.00 19.45 20.56 3h86 n ALA 107 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3h86 h TRP 108 N 0.00 0.00 0.00 0.00 0.09 -2.00 0.59 115.95 114.63 3h86 h TRP 108 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.04 3h86 h TRP 108 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.47 3h86 h TRP 108 CO -0.48 0.00 -0.73 0.28 0.09 0.00 0.00 178.44 177.60 3h86 h VAL 109 N 0.00 0.27 -0.02 0.12 2.07 0.32 -3.13 116.25 115.88 3h86 h VAL 109 Ca 0.17 -1.44 -0.21 0.00 0.82 0.00 0.00 66.70 66.03 3h86 h VAL 109 Cb 0.77 1.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3h86 h VAL 109 CO -0.00 0.15 -0.82 -0.07 0.02 0.00 0.00 177.57 176.85 3h86 h LEU 110 N 0.00 0.76 0.07 2.57 3.38 0.44 -1.48 115.31 121.05 3h86 h LEU 110 Ca -0.03 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 3h86 h LEU 110 Cb 1.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3h86 h LEU 110 CO 0.02 1.39 -0.03 0.74 0.09 0.00 0.00 178.44 180.64 3h86 h THR 111 N 0.22 1.04 -0.50 0.22 2.02 -1.14 0.54 112.91 115.30 3h86 h THR 111 Ca -0.10 -0.39 0.08 0.00 0.77 0.00 0.00 66.41 66.78 3h86 h THR 111 Cb 1.49 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 69.13 3h86 h THR 111 CO 0.16 0.10 0.10 -0.33 0.37 0.00 0.00 175.52 175.92 3h86 h GLU 112 N -0.27 0.23 0.12 6.66 5.08 -1.54 -2.58 114.58 122.28 3h86 h GLU 112 Ca -0.01 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 3h86 h GLU 112 Cb 0.23 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3h86 h GLU 112 CO 0.02 0.15 -1.21 -0.07 -1.00 0.00 0.00 179.01 176.90 3h86 h LEU 113 N 0.24 0.58 -3.04 1.33 3.38 -1.21 -3.44 115.31 113.16 3h86 h LEU 113 Ca 0.25 -0.57 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 3h86 h LEU 113 Cb 0.34 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.91 3h86 h LEU 113 CO -0.33 1.42 -0.97 -3.20 0.09 0.00 0.00 178.44 175.46 3h86 n ASN 114 N -3.65 -6.61 -4.84 -0.43 5.15 0.19 -4.90 115.26 100.17 3h86 n ASN 114 Ca -0.10 0.30 -0.32 0.00 -0.60 0.00 0.00 54.58 53.85 3h86 n ASN 114 Cb 0.99 -3.02 -0.06 0.00 -0.53 0.00 0.00 39.78 37.15 3h86 n ASN 114 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3h86 s PRO 115 N -2.15 4.06 -0.04 1.20 0.05 -1.26 -4.60 135.00 132.26 3h86 s PRO 115 Ca 0.24 0.83 0.17 0.00 0.05 0.00 0.00 61.00 62.30 3h86 s PRO 115 Cb -0.04 -2.32 -0.21 0.00 0.05 0.00 0.00 34.50 31.99 3h86 s PRO 115 CO 0.68 0.04 0.55 -0.25 0.05 0.00 0.00 177.00 178.08 3h86 n ASP 116 N -0.63 0.51 -3.77 6.66 8.00 0.12 -4.05 116.55 123.40 3h86 n ASP 116 Ca 0.05 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.65 3h86 n ASP 116 Cb 0.54 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 42.14 3h86 n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h86 s ILE 117 N -2.84 0.02 0.08 0.53 1.01 -1.20 -2.14 121.20 116.66 3h86 s ILE 117 Ca -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3h86 s ILE 117 Cb 0.09 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 3h86 s ILE 117 CO 0.83 -0.09 -0.17 -0.69 0.00 0.00 0.00 174.94 174.82 3h86 s VAL 118 N -0.34 2.92 -0.04 2.92 1.01 -0.25 -1.72 120.40 124.89 3h86 s VAL 118 Ca -0.05 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.61 3h86 s VAL 118 Cb -0.03 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3h86 s VAL 118 CO 0.02 0.20 -0.05 -0.63 0.00 0.00 0.00 175.10 174.63 3h86 s ILE 119 N -1.07 0.58 -0.51 2.22 1.01 0.18 -0.44 121.20 123.16 3h86 s ILE 119 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 3h86 s ILE 119 Cb -0.11 -0.59 0.13 0.00 0.01 0.00 0.00 42.46 41.91 3h86 s ILE 119 CO 0.09 0.23 0.32 -0.69 0.00 0.00 0.00 174.94 174.89 3h86 s VAL 120 N 0.84 3.54 0.05 2.92 1.01 0.17 0.52 120.40 129.45 3h86 s VAL 120 Ca -0.12 -2.46 -0.31 0.00 0.00 0.00 0.00 61.98 59.09 3h86 s VAL 120 Cb -0.14 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3h86 s VAL 120 CO 0.01 -0.78 1.31 -0.69 0.00 0.00 0.00 175.10 174.95 3h86 s VAL 121 N 0.59 3.73 0.46 2.92 1.01 -0.30 -2.38 120.40 126.43 3h86 s VAL 121 Ca 0.12 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.33 3h86 s VAL 121 Cb -0.22 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3h86 s VAL 121 CO -0.04 0.06 0.06 -1.61 0.00 0.00 0.00 175.10 173.58 3h86 s GLU 122 N 1.53 2.06 0.00 2.72 2.02 -0.00 -4.39 118.70 122.63 3h86 s GLU 122 Ca 0.62 -2.28 0.00 0.00 0.02 0.00 0.00 54.97 53.32 3h86 s GLU 122 Cb -0.32 -1.09 0.00 0.00 0.10 0.00 0.00 34.13 32.82 3h86 s GLU 122 CO 0.28 -0.40 0.00 -2.37 0.02 0.00 0.00 175.26 172.79 3h86 n THR 123 N -1.08 0.00 -1.71 3.63 5.66 -1.26 -1.66 114.28 117.86 3h86 n THR 123 Ca -0.12 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.53 3h86 n THR 123 Cb 0.66 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.50 3h86 n THR 123 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3h86 s ASP 124 N 0.00 4.70 0.34 1.09 1.11 -1.26 -4.86 116.67 117.79 3h86 s ASP 124 Ca 0.00 2.36 0.02 0.00 0.18 0.00 0.00 52.55 55.10 3h86 s ASP 124 Cb 0.00 -2.59 0.61 0.00 1.07 0.00 0.00 42.92 42.01 3h86 s ASP 124 CO 0.00 -1.92 1.99 1.23 1.18 0.00 0.00 175.17 177.65 3h86 h GLY 125 N 0.26 0.89 0.97 0.21 0.00 -1.95 0.45 103.07 103.90 3h86 h GLY 125 Ca -0.49 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3h86 h GLY 125 CO 0.52 0.34 0.15 -0.55 0.00 0.00 0.00 176.54 177.01 3h86 h ASP 126 N 0.86 0.71 -0.06 0.19 5.19 -1.94 0.38 116.42 121.75 3h86 h ASP 126 Ca 0.23 -0.21 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 3h86 h ASP 126 Cb -0.06 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.27 3h86 h ASP 126 CO -0.05 0.73 -0.29 -0.33 -3.12 0.00 0.00 179.24 176.19 3h86 h GLU 127 N 0.65 0.31 -0.83 3.56 5.08 -1.92 -1.14 114.58 120.29 3h86 h GLU 127 Ca 0.16 -0.25 0.19 0.00 -1.00 0.00 0.00 59.36 58.46 3h86 h GLU 127 Cb 0.28 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.46 3h86 h GLU 127 CO -0.00 0.89 0.31 0.82 -1.00 0.00 0.00 179.01 180.03 3h86 h ILE 128 N -0.21 0.52 -0.11 3.13 2.04 -0.78 -0.46 117.51 121.65 3h86 h ILE 128 Ca -0.02 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3h86 h ILE 128 Cb 0.95 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3h86 h ILE 128 CO 0.06 0.07 -0.11 0.25 0.00 0.00 0.00 178.15 178.42 3h86 h LEU 129 N 0.38 0.28 -2.07 1.44 5.85 -0.12 0.52 115.31 121.59 3h86 h LEU 129 Ca 0.49 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3h86 h LEU 129 Cb 0.87 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3h86 h LEU 129 CO -0.50 0.71 0.27 -0.03 -0.34 0.00 0.00 178.44 178.55 3h86 h MET 130 N -0.14 0.00 0.21 1.25 4.05 -0.81 -2.26 114.93 117.22 3h86 h MET 130 Ca 0.02 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.09 3h86 h MET 130 Cb 0.64 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3h86 h MET 130 CO 0.03 0.00 -1.65 0.00 0.23 0.00 0.00 176.91 175.52 3h86 h ARG 131 N 0.00 0.44 -0.40 0.39 3.08 -0.09 -3.25 114.38 114.55 3h86 h ARG 131 Ca 0.15 -0.75 0.12 0.00 0.07 0.00 0.00 59.98 59.57 3h86 h ARG 131 Cb 0.68 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3h86 h ARG 131 CO -0.00 1.35 0.49 0.00 -1.07 0.00 0.00 179.97 180.74 3h86 h ARG 132 N 0.12 0.00 0.13 0.04 3.08 -0.34 -3.01 114.38 114.40 3h86 h ARG 132 Ca -0.31 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.43 3h86 h ARG 132 Cb 2.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.17 3h86 h ARG 132 CO 0.21 0.00 -1.59 -0.07 -1.07 0.00 0.00 179.97 177.46 3h86 h LEU 133 N 0.00 0.43 0.00 3.04 3.38 -1.54 -3.37 115.31 117.25 3h86 h LEU 133 Ca 0.19 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.28 3h86 h LEU 133 Cb 1.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3h86 h LEU 133 CO -0.00 1.70 0.00 -1.54 0.09 0.00 0.00 178.44 178.68 3h86 n SER 134 N -3.79 0.00 -4.49 -0.43 3.41 -1.15 -4.53 113.62 102.64 3h86 n SER 134 Ca -0.26 0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.94 3h86 n SER 134 Cb 0.96 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 3h86 n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h86 s ASP 135 N -2.66 6.88 0.23 4.04 3.68 -1.17 -4.84 116.67 122.83 3h86 s ASP 135 Ca 0.23 -2.55 0.15 0.00 2.13 0.00 0.00 52.55 52.51 3h86 s ASP 135 Cb 0.18 -2.45 0.80 0.00 -1.45 0.00 0.00 42.92 40.00 3h86 s ASP 135 CO 0.42 -0.97 1.43 -0.62 0.13 0.00 0.00 175.17 175.57 3h86 n GLU 136 N 6.69 0.10 0.13 4.34 1.02 -1.26 -2.27 120.64 129.38 3h86 n GLU 136 Ca 0.36 0.59 0.13 0.00 -0.02 0.00 0.00 57.16 58.21 3h86 n GLU 136 Cb 0.45 -1.85 0.46 0.00 -0.02 0.00 0.00 31.44 30.49 3h86 n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h86 h SER 137 N 0.00 0.00 -2.79 1.62 4.64 -1.96 -3.46 113.55 111.59 3h86 h SER 137 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3h86 h SER 137 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3h86 h SER 137 CO 0.00 0.00 0.10 0.54 -0.87 0.00 0.00 176.83 176.60 3h86 n ARG 138 N -2.30 0.74 -3.94 4.77 1.74 -0.96 -5.15 116.66 111.56 3h86 n ARG 138 Ca 0.03 -1.82 -0.35 0.00 -0.77 0.00 0.00 57.85 54.94 3h86 n ARG 138 Cb 0.31 2.07 -0.12 0.00 -1.02 0.00 0.00 32.46 33.70 3h86 n ARG 138 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h86 s LYS 139 N -2.25 3.69 0.01 5.56 1.02 -1.26 -4.95 119.74 121.57 3h86 s LYS 139 Ca 0.15 -0.47 0.09 0.00 0.02 0.00 0.00 55.97 55.76 3h86 s LYS 139 Cb -0.03 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3h86 s LYS 139 CO 0.11 -0.02 -0.26 1.03 -0.92 0.00 0.00 175.35 175.29 3h86 s ARG 140 N 1.14 1.94 0.65 1.68 3.00 -1.26 -5.01 118.95 121.09 3h86 s ARG 140 Ca 0.04 -1.02 0.43 0.00 0.00 0.00 0.00 55.73 55.17 3h86 s ARG 140 Cb -0.14 -2.00 2.26 0.00 0.00 0.00 0.00 34.95 35.07 3h86 s ARG 140 CO 0.02 0.53 2.32 -0.44 0.00 0.00 0.00 175.30 177.73 3h86 h ASP 141 N 5.13 0.00 -6.62 0.23 3.45 -1.99 -3.46 116.42 113.16 3h86 h ASP 141 Ca -0.45 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 56.76 3h86 h ASP 141 Cb 1.13 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.86 3h86 h ASP 141 CO 0.45 0.00 -0.42 0.00 -1.57 0.00 0.00 179.24 177.71 3h86 n LEU 142 N -3.12 -0.20 -4.89 1.55 -0.00 -1.26 -4.89 117.00 104.19 3h86 n LEU 142 Ca -0.02 -0.54 -0.30 0.00 -0.00 0.00 0.00 56.01 55.14 3h86 n LEU 142 Cb 0.10 -0.66 0.22 0.00 -0.00 0.00 0.00 43.42 43.08 3h86 n LEU 142 CO 0.21 0.28 0.86 -1.61 -0.00 0.00 0.00 177.39 177.13 3h86 s GLU 143 N -5.49 0.03 0.68 1.47 2.02 -1.26 -5.03 118.70 111.12 3h86 s GLU 143 Ca 0.11 -0.49 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 3h86 s GLU 143 Cb -0.06 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3h86 s GLU 143 CO 0.41 -2.81 1.06 0.95 0.02 0.00 0.00 175.26 174.89 3h86 s THR 144 N -3.84 4.06 0.46 3.63 -4.23 -1.26 -4.92 115.64 109.55 3h86 s THR 144 Ca 0.76 0.70 0.21 0.00 -1.18 0.00 0.00 61.69 62.18 3h86 s THR 144 Cb -0.03 -3.43 0.39 0.00 1.34 0.00 0.00 72.50 70.77 3h86 s THR 144 CO 0.54 -0.84 1.91 0.74 -0.54 0.00 0.00 174.62 176.43 3h86 h THR 145 N -0.58 0.71 -0.59 3.99 2.02 -1.96 -2.38 112.91 114.13 3h86 h THR 145 Ca -0.44 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 3h86 h THR 145 Cb 1.21 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3h86 h THR 145 CO 0.57 0.05 -0.04 0.00 0.37 0.00 0.00 175.52 176.47 3h86 h ALA 146 N 1.64 0.82 -0.22 6.16 0.00 -1.99 -1.89 119.26 123.77 3h86 h ALA 146 Ca 0.38 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 3h86 h ALA 146 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h86 h ALA 146 CO -0.09 0.67 -0.64 0.66 0.00 0.00 0.00 179.25 179.84 3h86 h SER 147 N 0.95 0.92 -0.79 0.00 4.64 -1.81 -1.58 113.55 115.89 3h86 h SER 147 Ca 0.16 -0.54 0.15 0.00 -0.47 0.00 0.00 61.79 61.09 3h86 h SER 147 Cb 0.60 -0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 62.33 3h86 h SER 147 CO 0.04 1.33 0.34 0.40 -0.87 0.00 0.00 176.83 178.07 3h86 h ILE 148 N 0.59 0.66 0.00 0.95 2.04 -1.41 0.10 117.51 120.45 3h86 h ILE 148 Ca -0.01 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.48 3h86 h ILE 148 Cb 1.26 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3h86 h ILE 148 CO 0.14 0.09 -0.90 -0.33 0.00 0.00 0.00 178.15 177.15 3h86 h GLU 149 N 0.48 0.25 -0.38 2.37 4.39 -0.74 0.66 114.58 121.61 3h86 h GLU 149 Ca 0.43 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 3h86 h GLU 149 Cb 0.66 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3h86 h GLU 149 CO -0.40 0.99 -0.27 1.49 -1.16 0.00 0.00 179.01 179.66 3h86 h GLU 150 N 0.14 0.86 0.95 2.33 4.81 -0.72 0.23 114.58 123.18 3h86 h GLU 150 Ca -0.05 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3h86 h GLU 150 Cb 1.53 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.91 3h86 h GLU 150 CO 0.14 1.06 -0.46 1.25 -0.73 0.00 0.00 179.01 180.27 3h86 h HIS 151 N 0.67 -1.18 -0.65 0.92 2.76 -0.72 -1.58 115.15 115.37 3h86 h HIS 151 Ca 0.07 -0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.41 3h86 h HIS 151 Cb 0.84 0.39 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 3h86 h HIS 151 CO 0.06 -0.73 0.54 1.96 -1.30 0.00 0.00 177.93 178.46 3h86 h GLN 152 N -1.34 0.00 -0.08 5.26 4.20 -0.87 0.45 115.11 122.73 3h86 h GLN 152 Ca -0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3h86 h GLN 152 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3h86 h GLN 152 CO 0.21 0.00 -0.18 0.35 -0.67 0.00 0.00 178.83 178.55 3h86 h PHE 153 N 0.00 0.33 -0.18 2.96 3.04 -0.23 -3.04 116.94 119.83 3h86 h PHE 153 Ca 0.31 -0.12 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 3h86 h PHE 153 Cb 1.39 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.83 3h86 h PHE 153 CO 0.00 0.78 -0.24 0.52 -2.02 0.00 0.00 178.31 177.36 3h86 h MET 154 N -0.21 0.33 -0.53 1.11 0.00 -0.01 -2.26 114.93 113.35 3h86 h MET 154 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 59.70 59.69 3h86 h MET 154 Cb 0.77 -0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.32 3h86 h MET 154 CO 0.04 0.55 0.36 -0.91 0.00 0.00 0.00 176.91 176.95 3h86 h ASN 155 N 0.29 0.27 0.01 1.22 4.21 -0.24 -0.42 115.58 120.93 3h86 h ASN 155 Ca 0.05 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.56 3h86 h ASN 155 Cb 0.59 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3h86 h ASN 155 CO 0.04 0.16 -0.01 0.03 -1.29 0.00 0.00 177.43 176.37 3h86 h ARG 156 N 0.30 -0.02 0.00 0.81 3.08 -1.29 -0.24 114.38 117.02 3h86 h ARG 156 Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3h86 h ARG 156 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3h86 h ARG 156 CO -0.06 0.70 -0.02 0.00 -1.07 0.00 0.00 179.97 179.53 3h86 h ALA 157 N 0.16 1.07 0.00 0.04 0.00 -1.13 0.25 119.26 119.65 3h86 h ALA 157 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3h86 h ALA 157 Cb 0.73 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h86 h ALA 157 CO 0.00 0.02 -0.52 0.00 0.00 0.00 0.00 179.25 178.75 3h86 h ALA 158 N 1.98 0.09 -0.87 0.00 0.00 -1.02 -2.95 119.26 116.50 3h86 h ALA 158 Ca -0.00 -0.68 0.16 0.00 0.00 0.00 0.00 54.91 54.38 3h86 h ALA 158 Cb 0.18 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 3h86 h ALA 158 CO 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 179.25 179.27 3h86 h ALA 159 N -0.47 0.31 -0.69 0.00 0.00 -0.75 0.16 119.26 117.81 3h86 h ALA 159 Ca -0.12 0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h86 h ALA 159 Cb 0.89 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 3h86 h ALA 159 CO -0.08 -0.53 0.42 1.98 0.00 0.00 0.00 179.25 181.05 3h86 h MET 160 N -0.03 0.80 0.00 0.00 -1.53 -1.07 -0.60 114.93 112.50 3h86 h MET 160 Ca 0.36 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.56 3h86 h MET 160 Cb 0.61 -0.18 -0.00 0.00 -0.55 0.00 0.00 31.60 31.48 3h86 h MET 160 CO -0.90 0.53 -0.06 0.77 0.14 0.00 0.00 176.91 177.40 3h86 h SER 161 N 0.82 0.00 -0.09 1.39 0.02 -0.59 0.09 113.55 115.20 3h86 h SER 161 Ca 0.28 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3h86 h SER 161 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3h86 h SER 161 CO -0.12 0.06 -0.41 1.88 -1.14 0.00 0.00 176.83 177.09 3h86 h TYR 162 N 0.00 0.74 -0.56 3.45 0.05 0.48 -1.60 116.97 119.53 3h86 h TYR 162 Ca -0.00 -0.22 -0.05 0.00 0.05 0.00 0.00 58.73 58.51 3h86 h TYR 162 Cb 0.10 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3h86 h TYR 162 CO 0.00 0.93 0.14 0.78 -1.05 0.00 0.00 178.16 178.97 3h86 h GLY 163 N 1.02 0.97 0.87 3.88 0.00 -0.73 -2.39 103.07 106.69 3h86 h GLY 163 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3h86 h GLY 163 CO 0.08 0.56 0.02 -2.08 0.00 0.00 0.00 176.54 175.13 3h86 h VAL 164 N 0.80 1.12 0.00 4.60 2.07 -0.67 -0.60 116.25 123.58 3h86 h VAL 164 Ca 0.18 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3h86 h VAL 164 Cb 0.33 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3h86 h VAL 164 CO 0.00 0.10 -0.04 -0.07 0.02 0.00 0.00 177.57 177.58 3h86 h LEU 165 N -0.05 0.00 0.00 2.57 3.38 -1.32 -3.35 115.31 116.54 3h86 h LEU 165 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h86 h LEU 165 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h86 h LEU 165 CO -0.00 0.04 -0.41 0.35 0.09 0.00 0.00 178.44 178.51 3h86 n THR 166 N -3.24 0.00 -0.95 0.22 -2.24 -0.90 -4.97 114.28 102.20 3h86 n THR 166 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3h86 n THR 166 Cb 0.23 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 3h86 n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h86 n GLY 167 N 1.32 0.81 3.68 3.38 0.00 -0.24 -4.89 105.19 109.26 3h86 n GLY 167 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3h86 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h86 n ALA 168 N 0.85 1.70 -1.81 4.61 0.00 -1.22 -4.99 120.51 119.65 3h86 n ALA 168 Ca 0.00 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 3h86 n ALA 168 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 3h86 n ALA 168 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h86 s THR 169 N 1.22 3.56 -0.34 0.00 -4.23 -0.91 -4.16 115.64 110.78 3h86 s THR 169 Ca 0.79 1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 62.72 3h86 s THR 169 Cb -0.63 -3.97 -0.00 0.00 1.34 0.00 0.00 72.50 69.23 3h86 s THR 169 CO 0.37 0.35 0.20 -0.69 -0.54 0.00 0.00 174.62 174.31 3h86 s VAL 170 N -0.99 4.89 -0.17 2.29 1.01 -1.26 -1.09 120.40 125.07 3h86 s VAL 170 Ca 0.45 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3h86 s VAL 170 Cb -0.31 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3h86 s VAL 170 CO 0.40 -0.04 0.22 -0.75 0.00 0.00 0.00 175.10 174.92 3h86 s LYS 171 N 1.65 4.16 -0.43 2.72 2.47 0.41 -4.98 119.74 125.74 3h86 s LYS 171 Ca 0.05 -0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.29 3h86 s LYS 171 Cb -0.18 -3.40 0.07 0.00 -1.46 0.00 0.00 37.83 32.86 3h86 s LYS 171 CO 0.08 0.31 0.29 0.42 0.16 0.00 0.00 175.35 176.61 3h86 s ILE 172 N 0.28 4.61 -0.02 5.43 1.01 -1.26 0.47 121.20 131.72 3h86 s ILE 172 Ca 0.13 -1.18 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3h86 s ILE 172 Cb -0.12 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3h86 s ILE 172 CO 0.02 -0.47 0.47 -0.69 0.00 0.00 0.00 174.94 174.26 3h86 s VAL 173 N 1.52 5.00 -0.12 2.92 1.01 -1.00 -4.95 120.40 124.78 3h86 s VAL 173 Ca 0.03 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 3h86 s VAL 173 Cb -0.23 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3h86 s VAL 173 CO 0.04 0.49 0.10 -0.54 0.00 0.00 0.00 175.10 175.20 3h86 s LYS 174 N -0.55 3.44 -0.31 2.72 -0.14 -1.26 -0.82 119.74 122.82 3h86 s LYS 174 Ca 0.26 -0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 54.65 3h86 s LYS 174 Cb -0.17 -3.13 0.10 0.00 -1.68 0.00 0.00 37.83 32.95 3h86 s LYS 174 CO 0.14 0.69 0.09 1.21 -0.76 0.00 0.00 175.35 176.72 3h86 s ASN 175 N -0.79 4.09 0.26 2.83 2.47 -0.66 -4.29 114.94 118.85 3h86 s ASN 175 Ca 0.13 -1.68 0.05 0.00 0.42 0.00 0.00 52.86 51.78 3h86 s ASN 175 Cb -0.12 -0.95 -0.03 0.00 -1.45 0.00 0.00 41.25 38.71 3h86 s ASN 175 CO 0.03 -0.41 0.39 -0.54 -3.72 0.00 0.00 177.10 172.85 3h86 s LYS 176 N 1.54 3.42 0.09 0.43 1.02 -1.26 -4.58 119.74 120.40 3h86 s LYS 176 Ca 0.10 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 55.03 3h86 s LYS 176 Cb -0.17 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3h86 s LYS 176 CO -0.23 0.37 1.50 -0.80 -0.92 0.00 0.00 175.35 175.27 3h86 s ASN 177 N -4.00 6.72 0.00 2.83 0.01 -1.26 -0.96 114.94 118.29 3h86 s ASN 177 Ca 0.35 2.38 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 3h86 s ASN 177 Cb -0.09 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3h86 s ASN 177 CO 0.30 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 3h86 n GLY 178 N 3.72 1.78 1.85 0.66 0.00 -1.26 -4.81 105.19 107.13 3h86 n GLY 178 Ca 0.13 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 3h86 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h86 n LEU 179 N 0.00 6.27 0.08 0.99 4.77 -0.13 -4.19 117.00 124.79 3h86 n LEU 179 Ca 0.00 -3.20 -0.12 0.00 -0.03 0.00 0.00 56.01 52.66 3h86 n LEU 179 Cb 0.00 -1.02 -0.13 0.00 -2.33 0.00 0.00 43.42 39.94 3h86 n LEU 179 CO 0.00 1.17 0.02 0.58 -1.33 0.00 0.00 177.39 177.84 3h86 h VAL 180 N 0.94 1.58 -0.98 4.08 2.07 -1.87 -2.63 116.25 119.45 3h86 h VAL 180 Ca 0.28 -3.21 0.23 0.00 0.82 0.00 0.00 66.70 64.82 3h86 h VAL 180 Cb 1.01 2.90 -0.09 0.00 -1.52 0.00 0.00 31.29 33.60 3h86 h VAL 180 CO 0.72 0.93 0.63 0.44 0.02 0.00 0.00 177.57 180.31 3h86 h ASP 181 N 0.04 0.50 0.49 0.57 5.19 -1.86 -0.19 116.42 121.16 3h86 h ASP 181 Ca -0.08 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 3h86 h ASP 181 Cb 1.89 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.37 3h86 h ASP 181 CO 0.17 0.15 -0.26 0.78 -3.12 0.00 0.00 179.24 176.97 3h86 h ASN 182 N 0.47 0.00 0.27 6.45 4.21 -1.79 -3.05 115.58 122.15 3h86 h ASN 182 Ca 0.55 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.73 3h86 h ASN 182 Cb 1.26 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 38.50 3h86 h ASN 182 CO -0.27 0.26 -1.44 0.00 -1.29 0.00 0.00 177.43 174.69 3h86 h ALA 183 N 1.74 -0.13 -2.28 -0.83 0.00 -1.12 -3.29 119.26 113.35 3h86 h ALA 183 Ca -0.00 -0.85 -0.48 0.00 0.00 0.00 0.00 54.91 53.58 3h86 h ALA 183 Cb 0.57 0.16 0.04 0.00 0.00 0.00 0.00 17.79 18.56 3h86 h ALA 183 CO 0.03 0.71 0.38 0.08 0.00 0.00 0.00 179.25 180.45 3h86 s VAL 184 N -2.65 4.06 0.00 0.00 1.01 -0.84 -0.79 120.40 121.20 3h86 s VAL 184 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3h86 s VAL 184 Cb 0.04 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3h86 s VAL 184 CO 0.94 -0.52 0.00 -0.62 0.00 0.00 0.00 175.10 174.90 3h86 n GLU 185 N -1.69 0.00 -0.03 2.72 -0.58 -1.26 -4.46 120.64 115.35 3h86 n GLU 185 Ca 0.08 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 3h86 n GLU 185 Cb 0.53 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.26 3h86 n GLU 185 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h86 n GLU 186 N 0.00 0.66 0.12 3.49 2.13 -1.19 -0.98 120.64 124.86 3h86 n GLU 186 Ca 0.00 -0.02 0.12 0.00 0.66 0.00 0.00 57.16 57.92 3h86 n GLU 186 Cb 0.00 -1.60 0.24 0.00 0.27 0.00 0.00 31.44 30.35 3h86 n GLU 186 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3h86 h LEU 187 N 0.00 0.00 0.00 4.31 6.46 -1.18 -2.63 115.31 122.27 3h86 h LEU 187 Ca -0.22 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 3h86 h LEU 187 Cb 1.56 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.48 3h86 h LEU 187 CO 0.02 0.03 -0.31 0.24 -0.62 0.00 0.00 178.44 177.80 3h86 h MET 188 N 0.00 0.00 -0.15 1.25 2.86 -1.79 -0.72 114.93 116.37 3h86 h MET 188 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3h86 h MET 188 Cb 0.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3h86 h MET 188 CO 0.00 0.80 0.16 0.66 1.06 0.00 0.00 176.91 179.58 3h86 h SER 189 N -1.00 0.00 1.30 1.22 4.64 -1.11 0.49 113.55 119.09 3h86 h SER 189 Ca -0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 3h86 h SER 189 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3h86 h SER 189 CO -0.05 0.00 -0.72 1.62 -0.87 0.00 0.00 176.83 176.81 3h86 h VAL 190 N 0.00 0.31 0.15 0.95 3.04 -1.51 -3.35 116.25 115.84 3h86 h VAL 190 Ca 0.07 -1.50 -0.29 0.00 -1.01 0.00 0.00 66.70 63.97 3h86 h VAL 190 Cb 0.39 1.96 0.01 0.00 -2.01 0.00 0.00 31.29 31.64 3h86 h VAL 190 CO -0.00 0.18 -1.42 -0.07 -1.01 0.00 0.00 177.57 175.25 3h86 h LEU 191 N 0.00 0.51 0.00 3.16 3.38 0.13 -3.51 115.31 118.98 3h86 h LEU 191 Ca -0.04 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3h86 h LEU 191 Cb 1.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3h86 h LEU 191 CO 0.03 1.64 0.00 0.54 0.09 0.00 0.00 178.44 180.74