#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 0.00 -4.47 3.14 2.85 -1.26 -3.73 115.26 111.79 3h86 n ASN 3 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.11 3h86 n ASN 3 Cb 0.00 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.90 3h86 n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3h86 s LYS 4 N 0.00 3.69 -0.10 1.20 2.20 -1.26 -4.94 119.74 120.54 3h86 s LYS 4 Ca 0.00 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3h86 s LYS 4 Cb 0.00 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3h86 s LYS 4 CO 0.00 -0.09 -0.16 0.08 -0.36 0.00 0.00 175.35 174.81 3h86 s VAL 5 N 1.35 1.51 -0.09 4.02 1.01 -1.26 -2.68 120.40 124.26 3h86 s VAL 5 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3h86 s VAL 5 Cb -0.15 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3h86 s VAL 5 CO 0.03 0.44 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 3h86 s VAL 6 N 0.79 1.45 -0.14 2.92 1.01 -1.14 0.21 120.40 125.49 3h86 s VAL 6 Ca -0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3h86 s VAL 6 Cb -0.16 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3h86 s VAL 6 CO 0.02 0.43 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 3h86 s VAL 7 N 0.72 3.14 -0.15 2.92 1.01 0.12 -1.49 120.40 126.67 3h86 s VAL 7 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3h86 s VAL 7 Cb -0.16 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3h86 s VAL 7 CO 0.03 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 3h86 s VAL 8 N 0.50 1.65 0.27 2.92 1.01 -0.17 0.83 120.40 127.41 3h86 s VAL 8 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3h86 s VAL 8 Cb -0.15 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3h86 s VAL 8 CO 0.04 0.47 0.10 0.42 0.00 0.00 0.00 175.10 176.13 3h86 s THR 9 N 1.45 0.61 0.00 3.92 -4.23 0.16 -1.53 115.64 116.02 3h86 s THR 9 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3h86 s THR 9 Cb -0.13 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3h86 s THR 9 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3h86 n GLY 10 N -0.51 4.36 3.70 3.99 0.00 -1.25 0.32 105.19 115.80 3h86 n GLY 10 Ca -0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3h86 n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h86 s VAL 11 N -1.36 2.19 -0.03 1.61 -7.23 -1.26 -4.83 120.40 109.48 3h86 s VAL 11 Ca 0.00 0.08 -0.32 0.00 -1.81 0.00 0.00 61.98 59.93 3h86 s VAL 11 Cb 0.00 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.35 3h86 s VAL 11 CO 0.00 -0.06 1.92 -2.65 -0.31 0.00 0.00 175.10 174.00 3h86 n PRO 12 N -3.26 2.48 0.00 4.82 -0.02 -1.26 -1.71 135.00 136.05 3h86 n PRO 12 Ca 0.13 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3h86 n PRO 12 Cb 0.51 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.47 1.43 0.00 -1.23 0.00 -1.26 -4.91 105.19 103.69 3h86 n GLY 13 Ca 0.21 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.04 3h86 n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3h86 n VAL 14 N 0.00 0.31 -2.54 1.61 3.14 -0.70 -4.77 118.33 115.38 3h86 n VAL 14 Ca 0.00 0.08 -0.12 0.00 -2.96 0.00 0.00 64.34 61.34 3h86 n VAL 14 Cb 0.00 -0.98 0.01 0.00 -1.06 0.00 0.00 33.84 31.81 3h86 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h86 n GLY 15 N -0.68 -0.03 0.25 7.55 0.00 -1.26 -4.86 105.19 106.17 3h86 n GLY 15 Ca 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.54 0.54 1.00 -0.02 0.00 -1.88 -2.58 103.07 99.59 3h86 h GLY 16 Ca -0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3h86 h GLY 16 CO 0.32 0.34 -0.48 -0.84 0.00 0.00 0.00 176.54 175.89 3h86 h THR 17 N 0.46 0.01 -0.27 4.70 2.02 -1.94 -2.60 112.91 115.28 3h86 h THR 17 Ca 0.08 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3h86 h THR 17 Cb 0.50 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3h86 h THR 17 CO 0.03 0.00 -0.25 0.71 0.37 0.00 0.00 175.52 176.38 3h86 h THR 18 N -1.35 0.00 -1.11 3.16 1.35 -1.98 0.19 112.91 113.17 3h86 h THR 18 Ca -0.14 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.05 3h86 h THR 18 Cb 1.02 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.39 3h86 h THR 18 CO 0.22 0.00 1.01 0.58 -0.25 0.00 0.00 175.52 177.09 3h86 h VAL 19 N -0.11 0.17 0.00 6.82 2.07 -1.41 -1.13 116.25 122.65 3h86 h VAL 19 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3h86 h VAL 19 Cb 0.23 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3h86 h VAL 19 CO -0.32 0.00 -0.29 0.74 0.02 0.00 0.00 177.57 177.72 3h86 h THR 20 N 0.00 0.70 -0.46 2.57 2.02 -0.25 -3.18 112.91 114.31 3h86 h THR 20 Ca 0.53 -1.60 0.09 0.00 0.77 0.00 0.00 66.41 66.20 3h86 h THR 20 Cb 2.55 1.40 -0.10 0.00 -1.74 0.00 0.00 68.15 70.26 3h86 h THR 20 CO -0.01 0.24 -0.27 1.56 0.37 0.00 0.00 175.52 177.41 3h86 h GLN 21 N -1.00 -0.16 0.00 6.66 4.20 -0.48 -2.07 115.11 122.26 3h86 h GLN 21 Ca -0.06 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h86 h GLN 21 Cb 0.61 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3h86 h GLN 21 CO -0.03 -0.11 -0.02 0.87 -0.67 0.00 0.00 178.83 178.86 3h86 h LYS 22 N -0.17 0.00 0.09 1.46 1.57 -1.55 0.48 116.57 118.46 3h86 h LYS 22 Ca 0.21 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.76 3h86 h LYS 22 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.83 3h86 h LYS 22 CO -0.56 0.02 -0.96 0.00 -0.57 0.00 0.00 179.45 177.38 3h86 h ALA 23 N 1.98 -0.01 0.00 3.86 0.00 -1.37 -2.95 119.26 120.78 3h86 h ALA 23 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h86 h ALA 23 Cb 0.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h86 h ALA 23 CO 0.00 0.51 -0.31 0.52 0.00 0.00 0.00 179.25 179.97 3h86 h MET 24 N 0.01 0.00 0.42 0.00 2.86 -0.96 0.47 114.93 117.73 3h86 h MET 24 Ca -0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3h86 h MET 24 Cb 1.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.35 3h86 h MET 24 CO 0.18 0.00 -0.20 -0.44 1.06 0.00 0.00 176.91 177.51 3h86 h ASP 25 N 0.00 -0.48 0.45 1.22 5.19 -0.07 -1.92 116.42 120.81 3h86 h ASP 25 Ca 0.00 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 3h86 h ASP 25 Cb 0.81 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 3h86 h ASP 25 CO 0.00 -0.26 -0.31 0.40 -3.12 0.00 0.00 179.24 175.95 3h86 h ILE 26 N -0.69 1.05 -0.13 0.35 2.04 -1.28 -2.73 117.51 116.12 3h86 h ILE 26 Ca -0.06 -1.14 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 3h86 h ILE 26 Cb 0.50 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3h86 h ILE 26 CO 0.10 0.31 -0.34 -0.07 0.00 0.00 0.00 178.15 178.15 3h86 h LEU 27 N 0.00 0.52 -2.01 1.44 3.38 -0.09 -3.22 115.31 115.34 3h86 h LEU 27 Ca -0.00 -0.58 0.17 0.00 0.09 0.00 0.00 57.88 57.55 3h86 h LEU 27 Cb 0.62 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3h86 h LEU 27 CO 0.04 1.01 0.44 0.77 0.09 0.00 0.00 178.44 180.79 3h86 h SER 28 N 0.06 0.00 -0.06 -0.43 4.64 -1.02 0.56 113.55 117.29 3h86 h SER 28 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3h86 h SER 28 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3h86 h SER 28 CO 0.07 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.41 3h86 n GLU 29 N -4.22 1.60 -0.07 4.77 1.02 -1.19 -3.51 120.64 119.03 3h86 n GLU 29 Ca 0.11 -0.89 0.11 0.00 -0.02 0.00 0.00 57.16 56.47 3h86 n GLU 29 Cb 0.67 -1.44 0.14 0.00 -0.02 0.00 0.00 31.44 30.79 3h86 n GLU 29 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3h86 n GLU 30 N 0.09 2.25 -0.91 3.49 2.13 0.19 -4.95 120.64 122.92 3h86 n GLU 30 Ca 0.18 -2.00 0.00 0.00 0.66 0.00 0.00 57.16 56.00 3h86 n GLU 30 Cb 0.31 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3h86 n GLU 30 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h86 n GLY 31 N 1.32 0.54 3.64 8.31 0.00 -1.21 -5.01 105.19 112.79 3h86 n GLY 31 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3h86 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h86 s LEU 32 N 0.00 3.59 -0.21 0.99 0.20 -1.24 -5.07 118.68 116.94 3h86 s LEU 32 Ca 0.00 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.91 3h86 s LEU 32 Cb 0.00 -1.85 0.05 0.00 -0.43 0.00 0.00 46.19 43.96 3h86 s LEU 32 CO 0.00 0.30 -0.05 0.20 -0.29 0.00 0.00 176.35 176.51 3h86 s ASN 33 N -0.38 3.46 0.00 3.68 -0.87 -1.26 -3.34 114.94 116.22 3h86 s ASN 33 Ca 0.08 -0.98 0.00 0.00 -1.57 0.00 0.00 52.86 50.38 3h86 s ASN 33 Cb -0.12 -1.06 0.00 0.00 -0.02 0.00 0.00 41.25 40.05 3h86 s ASN 33 CO 0.02 -0.22 0.00 -1.22 -2.57 0.00 0.00 177.10 173.11 3h86 n TYR 34 N 4.76 0.00 -3.15 2.20 4.02 -1.26 -4.48 117.16 119.25 3h86 n TYR 34 Ca -0.12 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.81 3h86 n TYR 34 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.77 3h86 n TYR 34 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3h86 s LYS 35 N 0.96 0.50 0.21 -0.72 2.47 -1.22 -4.91 119.74 117.03 3h86 s LYS 35 Ca 0.00 0.57 -0.31 0.00 -1.56 0.00 0.00 55.97 54.67 3h86 s LYS 35 Cb 0.00 0.28 -0.11 0.00 -1.46 0.00 0.00 37.83 36.54 3h86 s LYS 35 CO 0.00 -0.85 1.62 -1.64 0.16 0.00 0.00 175.35 174.64 3h86 s MET 36 N 2.85 4.17 -0.22 4.03 -1.94 -1.26 -1.36 119.30 125.57 3h86 s MET 36 Ca 0.14 2.49 -0.03 0.00 -1.71 0.00 0.00 55.69 56.57 3h86 s MET 36 Cb -0.10 -3.09 0.10 0.00 2.01 0.00 0.00 34.83 33.75 3h86 s MET 36 CO -0.24 -0.65 0.23 0.08 -0.01 0.00 0.00 175.02 174.43 3h86 s VAL 37 N 0.81 -0.33 -0.48 -6.03 1.01 -0.74 -4.96 120.40 109.68 3h86 s VAL 37 Ca 0.69 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 3h86 s VAL 37 Cb -0.47 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.20 3h86 s VAL 37 CO 0.36 -0.27 1.03 0.20 0.00 0.00 0.00 175.10 176.42 3h86 s ASN 38 N 2.33 6.54 0.67 3.32 0.01 -1.26 -0.34 114.94 126.21 3h86 s ASN 38 Ca 0.08 0.24 0.30 0.00 -0.71 0.00 0.00 52.86 52.76 3h86 s ASN 38 Cb -0.15 -2.50 1.63 0.00 0.41 0.00 0.00 41.25 40.64 3h86 s ASN 38 CO -0.16 -1.17 1.92 0.15 -1.51 0.00 0.00 177.10 176.33 3h86 h PHE 39 N 9.18 0.00 -0.06 2.20 3.04 -0.93 0.17 116.94 130.54 3h86 h PHE 39 Ca -0.24 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.58 3h86 h PHE 39 Cb 1.07 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.56 3h86 h PHE 39 CO 0.93 0.00 -0.58 0.78 -2.02 0.00 0.00 178.31 177.42 3h86 h GLY 40 N 0.00 0.21 0.00 2.40 0.00 -1.88 -2.96 103.07 100.85 3h86 h GLY 40 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 47.33 46.87 3h86 h GLY 40 CO -0.00 0.23 -1.86 1.44 0.00 0.00 0.00 176.54 176.35 3h86 n SER 41 N -3.88 1.78 -0.08 0.19 7.64 0.52 -3.10 113.62 116.68 3h86 n SER 41 Ca -0.02 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.12 3h86 n SER 41 Cb 0.60 0.93 0.70 0.00 -1.01 0.00 0.00 64.21 65.43 3h86 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h86 h ALA 42 N 0.73 2.56 -0.01 -0.43 0.00 -1.42 0.19 119.26 120.87 3h86 h ALA 42 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h86 h ALA 42 Cb 1.65 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3h86 h ALA 42 CO 0.02 -1.04 -0.52 0.00 0.00 0.00 0.00 179.25 177.71 3h86 n MET 43 N -3.83 1.24 0.13 0.00 3.85 -1.12 -4.05 117.12 113.34 3h86 n MET 43 Ca 0.15 -0.76 -0.02 0.00 -1.00 0.00 0.00 57.70 56.07 3h86 n MET 43 Cb 0.93 -1.41 0.15 0.00 -1.05 0.00 0.00 33.22 31.84 3h86 n MET 43 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3h86 h PHE 44 N 1.82 0.01 0.00 3.17 3.57 -0.58 -3.07 116.94 121.86 3h86 h PHE 44 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3h86 h PHE 44 Cb 0.65 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3h86 h PHE 44 CO 0.00 0.64 -0.18 -0.44 -2.23 0.00 0.00 178.31 176.10 3h86 h ASP 45 N 0.01 0.00 0.82 0.41 3.32 -1.57 0.13 116.42 119.53 3h86 h ASP 45 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 3h86 h ASP 45 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3h86 h ASP 45 CO 0.08 0.18 -0.94 0.58 -1.72 0.00 0.00 179.24 177.42 3h86 h VAL 46 N 0.00 1.61 0.00 -1.35 2.07 -1.74 -3.29 116.25 113.55 3h86 h VAL 46 Ca -0.00 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.49 3h86 h VAL 46 Cb 0.43 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3h86 h VAL 46 CO 0.02 0.87 0.00 0.00 0.02 0.00 0.00 177.57 178.48 3h86 n ALA 47 N -2.40 -0.19 0.03 1.67 0.00 0.03 -2.89 120.51 116.76 3h86 n ALA 47 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3h86 n ALA 47 Cb 0.87 0.04 0.40 0.00 0.00 0.00 0.00 19.45 20.77 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 0.00 0.41 0.04 0.00 4.21 -1.74 0.73 115.58 119.22 3h86 h ASN 48 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3h86 h ASN 48 Cb 0.00 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 3h86 h ASN 48 CO 0.00 0.38 0.00 -0.62 -1.29 0.00 0.00 177.43 175.90 3h86 n GLU 49 N -4.41 0.06 0.00 0.81 1.02 -1.24 -0.99 120.64 115.90 3h86 n GLU 49 Ca 0.02 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3h86 n GLU 49 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3h86 n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h86 n GLU 50 N -1.19 3.31 -2.20 3.49 1.02 0.03 -5.05 120.64 120.06 3h86 n GLU 50 Ca 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 3h86 n GLU 50 Cb 0.02 -0.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 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 0.81 -0.07 0.08 0.62 0.00 0.23 -4.93 105.19 101.93 3h86 n GLY 51 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 3h86 n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h86 h LEU 52 N 0.00 0.11 -8.76 0.99 3.38 -1.83 -3.46 115.31 105.74 3h86 h LEU 52 Ca -0.35 -0.86 -0.31 0.00 0.09 0.00 0.00 57.88 56.45 3h86 h LEU 52 Cb 1.24 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 3h86 h LEU 52 CO 0.43 0.96 -0.62 0.00 0.09 0.00 0.00 178.44 179.29 3h86 s ALA 53 N -2.78 1.50 0.00 1.53 0.00 -1.26 -5.05 121.76 115.70 3h86 s ALA 53 Ca -0.17 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.02 3h86 s ALA 53 Cb -0.01 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.16 3h86 s ALA 53 CO 0.72 -0.47 0.00 0.45 0.00 0.00 0.00 175.76 176.45 3h86 n SER 54 N -0.37 0.00 -4.21 0.00 2.88 -1.26 -4.35 113.62 106.31 3h86 n SER 54 Ca -0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.19 3h86 n SER 54 Cb 0.66 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.20 3h86 n SER 54 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3h86 n ASP 55 N -0.99 -3.97 -0.41 -3.46 10.43 -1.26 -4.83 116.55 112.06 3h86 n ASP 55 Ca 0.00 0.24 0.00 0.00 2.57 0.00 0.00 54.79 57.60 3h86 n ASP 55 Cb 0.00 -0.97 0.00 0.00 1.84 0.00 0.00 41.12 41.99 3h86 n ASP 55 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3h86 n ARG 56 N 0.36 0.93 -0.05 -1.24 1.85 -1.26 -4.00 116.66 113.25 3h86 n ARG 56 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.76 3h86 n ARG 56 Cb 0.56 -1.38 -0.04 0.00 -1.05 0.00 0.00 32.46 30.55 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 -0.06 0.91 -3.02 2.89 9.92 -1.26 -4.62 116.55 121.30 3h86 n ASP 57 Ca 0.00 0.12 -0.25 0.00 -0.53 0.00 0.00 54.79 54.13 3h86 n ASP 57 Cb 0.19 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.32 3h86 n ASP 57 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 3h86 n GLN 58 N -3.45 2.48 0.00 -1.24 7.27 -1.26 -2.89 117.38 118.29 3h86 n GLN 58 Ca -0.21 -1.55 0.00 0.00 0.07 0.00 0.00 57.00 55.30 3h86 n GLN 58 Cb 0.66 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.85 3h86 n GLN 58 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h86 n MET 59 N 3.71 3.97 0.00 3.69 0.00 -1.26 -4.14 117.12 123.10 3h86 n MET 59 Ca 0.53 0.00 0.06 0.00 0.00 0.00 0.00 57.70 58.28 3h86 n MET 59 Cb 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 33.22 33.09 3h86 n MET 59 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3h86 n ARG 60 N 0.00 3.01 0.00 3.17 1.85 -1.14 -4.37 116.66 119.17 3h86 n ARG 60 Ca 0.00 -0.07 0.08 0.00 -1.00 0.00 0.00 57.85 56.85 3h86 n ARG 60 Cb 0.00 -1.06 0.04 0.00 -1.05 0.00 0.00 32.46 30.39 3h86 n ARG 60 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3h86 n LYS 61 N -1.16 1.41 -1.57 2.89 3.00 -1.14 -4.15 118.16 117.43 3h86 n LYS 61 Ca 0.03 -1.17 -0.29 0.00 -0.00 0.00 0.00 58.31 56.87 3h86 n LYS 61 Cb 0.19 -1.27 0.11 0.00 0.00 0.00 0.00 35.03 34.06 3h86 n LYS 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3h86 s LEU 62 N -1.56 2.32 -0.05 3.14 1.98 -1.26 -4.94 118.68 118.32 3h86 s LEU 62 Ca 0.16 1.11 -0.29 0.00 -2.89 0.00 0.00 54.13 52.22 3h86 s LEU 62 Cb 0.13 -3.59 -0.07 0.00 0.66 0.00 0.00 46.19 43.32 3h86 s LEU 62 CO 0.27 -2.22 1.93 -1.81 -1.89 0.00 0.00 176.35 172.62 3h86 s ASP 63 N -4.01 6.30 0.50 3.68 -0.00 -1.26 -4.88 116.67 117.00 3h86 s ASP 63 Ca 0.62 2.36 0.29 0.00 -0.00 0.00 0.00 52.55 55.83 3h86 s ASP 63 Cb -0.14 -2.53 1.18 0.00 -0.00 0.00 0.00 42.92 41.43 3h86 s ASP 63 CO 0.53 -1.21 1.92 1.55 -0.00 0.00 0.00 175.17 177.96 3h86 h PRO 64 N 11.23 0.00 -6.37 8.23 0.14 -1.99 -3.35 132.00 139.89 3h86 h PRO 64 Ca -0.45 0.00 -0.57 0.00 0.14 0.00 0.00 66.00 65.12 3h86 h PRO 64 Cb 1.22 0.00 0.03 0.00 0.14 0.00 0.00 31.00 32.39 3h86 h PRO 64 CO 0.95 0.09 1.13 -0.85 0.14 0.00 0.00 178.00 179.46 3h86 n GLU 65 N -3.23 2.54 -0.84 0.86 -0.00 -1.26 -3.25 120.64 115.45 3h86 n GLU 65 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.16 58.09 3h86 n GLU 65 Cb 0.36 -2.82 0.00 0.00 -0.00 0.00 0.00 31.44 28.98 3h86 n GLU 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3h86 n THR 66 N 5.07 0.00 -0.38 3.84 -2.24 -1.26 -4.75 114.28 114.55 3h86 n THR 66 Ca 0.20 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.30 3h86 n THR 66 Cb 0.35 -0.46 0.61 0.00 -2.10 0.00 0.00 70.33 68.73 3h86 n THR 66 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3h86 h GLN 67 N 0.78 0.20 -0.16 -0.78 4.20 -1.68 0.24 115.11 117.91 3h86 h GLN 67 Ca 0.00 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h86 h GLN 67 Cb 0.30 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3h86 h GLN 67 CO 0.00 0.13 -0.38 0.87 -0.67 0.00 0.00 178.83 178.78 3h86 h LYS 68 N 0.20 0.35 0.40 1.46 1.57 -1.85 -1.12 116.57 117.57 3h86 h LYS 68 Ca 0.69 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.29 3h86 h LYS 68 Cb 2.11 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 3h86 h LYS 68 CO -0.28 0.68 -0.35 -0.09 -0.57 0.00 0.00 179.45 178.84 3h86 h ARG 69 N 0.29 -0.71 -0.91 3.15 2.43 -0.88 1.13 114.38 118.88 3h86 h ARG 69 Ca 0.03 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3h86 h ARG 69 Cb 0.81 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.40 3h86 h ARG 69 CO 0.06 -0.47 -0.57 0.82 -1.51 0.00 0.00 179.97 178.30 3h86 h ILE 70 N -0.73 0.00 -0.56 1.20 1.08 -1.49 -1.19 117.51 115.82 3h86 h ILE 70 Ca -0.05 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 3h86 h ILE 70 Cb 0.62 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.29 3h86 h ILE 70 CO -0.02 0.00 0.05 -0.61 -0.69 0.00 0.00 178.15 176.88 3h86 h GLN 71 N -0.06 0.17 -0.14 2.37 4.15 -0.92 -2.61 115.11 118.07 3h86 h GLN 71 Ca 0.16 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.61 3h86 h GLN 71 Cb 0.45 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 3h86 h GLN 71 CO -0.89 0.11 -0.15 -0.22 -1.93 0.00 0.00 178.83 175.74 3h86 h LYS 72 N 0.17 -0.18 -0.29 1.69 3.64 0.25 -3.11 116.57 118.74 3h86 h LYS 72 Ca 0.29 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3h86 h LYS 72 Cb 0.45 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3h86 h LYS 72 CO -0.43 -0.12 -0.02 0.52 -2.27 0.00 0.00 179.45 177.12 3h86 h MET 73 N -0.19 0.53 -0.63 1.90 2.86 -0.97 -2.58 114.93 115.86 3h86 h MET 73 Ca 0.10 -0.18 0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3h86 h MET 73 Cb 0.33 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 3h86 h MET 73 CO -0.25 0.70 0.43 0.00 1.06 0.00 0.00 176.91 178.84 3h86 h ALA 74 N 0.81 2.12 0.00 6.32 0.00 -1.52 -1.79 119.26 125.21 3h86 h ALA 74 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3h86 h ALA 74 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3h86 h ALA 74 CO 0.02 -0.28 -0.59 0.78 0.00 0.00 0.00 179.25 179.18 3h86 h GLY 75 N 0.34 0.00 0.44 0.00 0.00 -1.39 -2.43 103.07 100.04 3h86 h GLY 75 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3h86 h GLY 75 CO -0.08 0.00 -0.95 -0.96 0.00 0.00 0.00 176.54 174.56 3h86 n ARG 76 N -3.61 0.14 -0.04 4.80 1.85 -0.82 -3.32 116.66 115.65 3h86 n ARG 76 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 57.85 56.67 3h86 n ARG 76 Cb 0.64 -1.53 -0.06 0.00 -1.05 0.00 0.00 32.46 30.45 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 0.76 0.00 2.89 1.79 -1.27 -2.05 116.57 118.70 3h86 h LYS 77 Ca 0.00 -0.57 -0.04 0.00 -2.18 0.00 0.00 60.65 57.86 3h86 h LYS 77 Cb 0.61 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 3h86 h LYS 77 CO 0.00 1.19 -0.17 0.82 -1.08 0.00 0.00 179.45 180.20 3h86 h ILE 78 N 0.49 0.89 -0.33 1.86 2.04 -1.59 -3.24 117.51 117.63 3h86 h ILE 78 Ca -0.03 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.26 3h86 h ILE 78 Cb 1.26 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.63 3h86 h ILE 78 CO 0.13 0.17 -0.26 0.00 0.00 0.00 0.00 178.15 178.19 3h86 h ALA 79 N 1.83 -0.10 0.00 1.87 0.00 -1.36 -2.16 119.26 119.34 3h86 h ALA 79 Ca -0.00 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3h86 h ALA 79 Cb 0.36 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3h86 h ALA 79 CO 0.02 -0.67 -0.77 0.93 0.00 0.00 0.00 179.25 178.76 3h86 h GLU 80 N -0.23 0.00 0.00 0.00 5.08 -1.61 -2.71 114.58 115.12 3h86 h GLU 80 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3h86 h GLU 80 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h86 h GLU 80 CO -0.46 0.77 0.04 -0.12 -1.00 0.00 0.00 179.01 178.24 3h86 n MET 81 N -3.49 0.00 -0.03 2.33 1.56 -0.82 -2.68 117.12 113.98 3h86 n MET 81 Ca -0.00 0.10 -0.05 0.00 -0.27 0.00 0.00 57.70 57.48 3h86 n MET 81 Cb 0.78 -1.54 -0.03 0.00 2.15 0.00 0.00 33.22 34.58 3h86 n MET 81 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3h86 n ALA 82 N -1.00 1.92 -0.25 -5.12 0.00 -1.02 -3.70 120.51 111.34 3h86 n ALA 82 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.20 3h86 n ALA 82 Cb 0.04 0.36 0.14 0.00 0.00 0.00 0.00 19.45 19.99 3h86 n ALA 82 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h86 h LYS 83 N -0.02 0.09 -0.63 0.00 1.57 -1.59 -2.20 116.57 113.80 3h86 h LYS 83 Ca -0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3h86 h LYS 83 Cb 1.22 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3h86 h LYS 83 CO -0.03 0.06 0.24 0.93 -0.57 0.00 0.00 179.45 180.08 3h86 h GLU 84 N 0.09 0.94 -2.85 3.15 4.39 -1.75 -3.44 114.58 115.11 3h86 h GLU 84 Ca 0.39 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 3h86 h GLU 84 Cb 0.66 -0.15 -0.18 0.00 -0.10 0.00 0.00 28.75 28.98 3h86 h GLU 84 CO -0.65 0.80 -0.12 -1.54 -1.16 0.00 0.00 179.01 176.35 3h86 s SER 85 N -6.16 -0.31 0.26 1.42 1.04 -0.83 -5.13 113.70 104.00 3h86 s SER 85 Ca -0.13 0.15 -0.31 0.00 0.48 0.00 0.00 55.95 56.15 3h86 s SER 85 Cb 0.13 0.40 -0.12 0.00 0.10 0.00 0.00 66.02 66.53 3h86 s SER 85 CO 0.80 -0.58 1.55 -2.65 0.98 0.00 0.00 173.24 173.34 3h86 n PRO 86 N 0.85 2.46 -4.14 4.02 -0.01 -1.26 -4.12 135.00 132.81 3h86 n PRO 86 Ca -0.20 0.88 -0.26 0.00 -0.01 0.00 0.00 63.50 63.91 3h86 n PRO 86 Cb 0.58 -2.62 -0.06 0.00 -0.01 0.00 0.00 33.50 31.38 3h86 n PRO 86 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 3h86 s VAL 87 N 0.13 4.13 -0.05 -1.45 1.01 -1.09 -3.38 120.40 119.69 3h86 s VAL 87 Ca 0.67 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3h86 s VAL 87 Cb -0.56 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 32.75 3h86 s VAL 87 CO 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.45 3h86 s ALA 88 N -1.77 0.52 -0.32 5.51 0.00 -0.46 -2.90 121.76 122.33 3h86 s ALA 88 Ca 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3h86 s ALA 88 Cb -0.10 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.51 3h86 s ALA 88 CO 0.21 -0.31 0.04 0.08 0.00 0.00 0.00 175.76 175.78 3h86 s VAL 89 N 1.62 3.03 -0.30 0.00 1.01 -0.55 -1.80 120.40 123.41 3h86 s VAL 89 Ca -0.01 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 3h86 s VAL 89 Cb -0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3h86 s VAL 89 CO -0.03 -0.23 0.71 -0.62 0.00 0.00 0.00 175.10 174.93 3h86 s ASP 90 N 1.34 6.59 0.00 3.32 2.15 0.54 -1.00 116.67 129.61 3h86 s ASP 90 Ca -0.02 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.54 3h86 s ASP 90 Cb -0.20 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3h86 s ASP 90 CO -0.02 -0.54 0.00 1.07 -0.17 0.00 0.00 175.17 175.52 3h86 n THR 91 N 5.44 0.00 -4.50 1.71 5.66 -0.58 -0.19 114.28 121.82 3h86 n THR 91 Ca 0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.78 3h86 n THR 91 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.13 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 -4.11 1.66 0.03 1.09 3.76 -1.26 -3.87 115.29 112.59 3h86 s HIS 92 Ca 0.00 -0.38 -0.27 0.00 -0.15 0.00 0.00 55.06 54.26 3h86 s HIS 92 Cb 0.00 -0.97 -0.17 0.00 1.11 0.00 0.00 32.58 32.55 3h86 s HIS 92 CO 0.00 0.10 1.33 1.03 -0.85 0.00 0.00 174.74 176.35 3h86 h SER 93 N 4.72 -0.50 -4.54 1.40 0.87 -1.92 -3.36 113.55 110.22 3h86 h SER 93 Ca -0.42 -0.09 -0.37 0.00 -1.23 0.00 0.00 61.79 59.69 3h86 h SER 93 Cb 1.17 0.13 -0.22 0.00 -0.44 0.00 0.00 62.40 63.04 3h86 h SER 93 CO 0.43 -0.18 -0.76 0.42 -0.53 0.00 0.00 176.83 176.20 3h86 s THR 94 N -5.05 0.89 -0.28 2.23 -4.23 -1.26 -1.56 115.64 106.38 3h86 s THR 94 Ca -0.15 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 3h86 s THR 94 Cb 0.03 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.98 3h86 s THR 94 CO 0.55 -0.24 0.08 -0.69 -0.54 0.00 0.00 174.62 173.77 3h86 s VAL 95 N -1.22 4.09 -1.05 2.29 1.01 0.41 -4.75 120.40 121.18 3h86 s VAL 95 Ca -0.04 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3h86 s VAL 95 Cb -0.09 -3.04 -0.14 0.00 0.00 0.00 0.00 36.38 33.11 3h86 s VAL 95 CO 0.01 0.17 1.94 1.17 0.00 0.00 0.00 175.10 178.40 3h86 n LYS 96 N 4.89 1.30 -2.16 2.72 4.81 -1.26 -1.22 118.16 127.23 3h86 n LYS 96 Ca -0.15 -2.20 -0.27 0.00 -0.87 0.00 0.00 58.31 54.83 3h86 n LYS 96 Cb 0.49 -3.58 0.10 0.00 0.02 0.00 0.00 35.03 32.07 3h86 n LYS 96 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3h86 s THR 97 N 10.81 2.16 0.16 3.15 -4.23 -0.99 -4.99 115.64 121.72 3h86 s THR 97 Ca 0.69 -0.23 0.21 0.00 -1.18 0.00 0.00 61.69 61.18 3h86 s THR 97 Cb 0.02 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.11 3h86 s THR 97 CO 0.15 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.37 3h86 h PRO 98 N -0.86 0.00 -0.94 3.99 0.11 -1.92 -2.44 132.00 129.93 3h86 h PRO 98 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h86 h PRO 98 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h86 h PRO 98 CO 0.53 0.30 0.00 1.63 -0.21 0.00 0.00 178.00 180.25 3h86 n LYS 99 N -3.49 0.85 0.00 1.05 4.76 -1.26 -4.99 118.16 115.08 3h86 n LYS 99 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3h86 n LYS 99 Cb 0.46 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 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 0.22 -1.79 3.76 0.72 0.00 -0.92 -4.96 105.19 102.22 3h86 n GLY 100 Ca 0.00 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.96 -0.14 1.61 2.02 -1.26 -2.33 117.35 121.20 3h86 s TYR 101 Ca 0.00 1.81 0.01 0.00 -0.37 0.00 0.00 57.07 58.53 3h86 s TYR 101 Cb 0.00 -2.90 -0.00 0.00 -0.40 0.00 0.00 41.96 38.66 3h86 s TYR 101 CO 0.00 0.48 -0.18 -1.17 -1.57 0.00 0.00 175.55 173.11 3h86 s LEU 102 N -1.18 2.38 -0.36 -1.29 2.96 -0.36 -4.83 118.68 115.99 3h86 s LEU 102 Ca 0.39 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 3h86 s LEU 102 Cb -0.25 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3h86 s LEU 102 CO 0.30 0.10 1.51 -2.84 -1.32 0.00 0.00 176.35 174.10 3h86 s PRO 103 N 0.70 3.58 0.16 0.98 0.02 -1.26 0.15 135.00 139.34 3h86 s PRO 103 Ca -0.08 1.16 -0.19 0.00 0.02 0.00 0.00 61.00 61.91 3h86 s PRO 103 Cb -0.16 -4.05 0.08 0.00 0.02 0.00 0.00 34.50 30.40 3h86 s PRO 103 CO 0.01 -1.56 1.65 0.78 -0.33 0.00 0.00 177.00 177.55 3h86 h GLY 104 N 12.34 0.12 -7.29 0.52 0.00 -1.43 -3.22 103.07 104.11 3h86 h GLY 104 Ca -0.29 0.21 -0.75 0.00 0.00 0.00 0.00 47.33 46.49 3h86 h GLY 104 CO 1.06 -0.18 0.24 1.04 0.00 0.00 0.00 176.54 178.69 3h86 n LEU 105 N -5.35 5.05 -4.44 3.11 4.77 -1.26 -5.00 117.00 113.88 3h86 n LEU 105 Ca 0.02 -5.13 -0.33 0.00 -0.03 0.00 0.00 56.01 50.54 3h86 n LEU 105 Cb 0.26 -1.26 0.12 0.00 -2.33 0.00 0.00 43.42 40.22 3h86 n LEU 105 CO 0.13 1.52 -0.01 -2.65 -1.33 0.00 0.00 177.39 175.06 3h86 n PRO 106 N 2.22 -0.30 -0.25 3.23 -0.02 -1.22 -4.32 135.00 134.34 3h86 n PRO 106 Ca 0.24 -0.04 -0.03 0.00 -2.02 0.00 0.00 63.50 61.65 3h86 n PRO 106 Cb 0.37 -1.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3h86 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h86 n ALA 107 N -3.64 -0.19 0.14 3.55 0.00 -1.26 0.03 120.51 119.14 3h86 n ALA 107 Ca 0.07 0.61 -0.06 0.00 0.00 0.00 0.00 53.44 54.06 3h86 n ALA 107 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.39 -1.09 0.00 0.09 -2.00 -1.37 115.95 111.19 3h86 h TRP 108 Ca 0.18 -0.01 0.29 0.00 0.09 0.00 0.00 58.89 59.45 3h86 h TRP 108 Cb 0.34 0.14 -0.09 0.00 0.08 0.00 0.00 29.16 29.63 3h86 h TRP 108 CO -0.59 -0.23 0.71 0.28 0.09 0.00 0.00 178.44 178.70 3h86 h VAL 109 N -0.38 0.47 0.06 0.12 2.07 -1.80 0.21 116.25 116.99 3h86 h VAL 109 Ca -0.04 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3h86 h VAL 109 Cb 0.30 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3h86 h VAL 109 CO 0.05 0.06 -0.03 0.25 0.02 0.00 0.00 177.57 177.91 3h86 h LEU 110 N 0.30 -0.06 -0.69 2.57 5.85 -0.06 -2.45 115.31 120.77 3h86 h LEU 110 Ca 0.61 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 59.14 3h86 h LEU 110 Cb 1.72 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 3h86 h LEU 110 CO -0.26 0.05 -0.08 0.74 -0.34 0.00 0.00 178.44 178.54 3h86 h THR 111 N -0.18 1.26 0.00 1.05 2.02 0.24 0.44 112.91 117.75 3h86 h THR 111 Ca -0.01 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3h86 h THR 111 Cb 0.15 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3h86 h THR 111 CO 0.01 0.42 0.00 -0.62 0.37 0.00 0.00 175.52 175.70 3h86 n GLU 112 N -4.16 0.31 0.13 6.66 1.02 0.50 -3.69 120.64 121.40 3h86 n GLU 112 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3h86 n GLU 112 Cb 0.37 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 3h86 n GLU 112 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3h86 n LEU 113 N -0.56 -0.39 -3.08 -4.62 7.94 -0.77 -4.43 117.00 111.09 3h86 n LEU 113 Ca 0.01 0.45 -0.09 0.00 -1.11 0.00 0.00 56.01 55.27 3h86 n LEU 113 Cb 0.00 0.56 0.01 0.00 0.53 0.00 0.00 43.42 44.53 3h86 n LEU 113 CO 0.01 -0.69 0.12 -3.20 -1.11 0.00 0.00 177.39 172.52 3h86 n ASN 114 N -3.34 -7.41 -4.79 1.96 2.85 0.15 -4.08 115.26 100.59 3h86 n ASN 114 Ca 0.00 0.09 -0.34 0.00 -0.11 0.00 0.00 54.58 54.22 3h86 n ASN 114 Cb 0.00 -4.71 -0.01 0.00 1.24 0.00 0.00 39.78 36.30 3h86 n ASN 114 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 3h86 s PRO 115 N -2.97 3.55 0.00 1.20 0.02 -1.26 -4.66 135.00 130.87 3h86 s PRO 115 Ca 0.13 1.36 0.27 0.00 0.02 0.00 0.00 61.00 62.78 3h86 s PRO 115 Cb -0.03 -2.06 0.85 0.00 0.02 0.00 0.00 34.50 33.28 3h86 s PRO 115 CO 0.78 -0.64 1.63 -0.25 -0.33 0.00 0.00 177.00 178.19 3h86 n ASP 116 N -1.39 0.59 -3.71 2.53 10.43 0.13 -4.37 116.55 120.76 3h86 n ASP 116 Ca 0.10 -0.44 -0.11 0.00 2.57 0.00 0.00 54.79 56.91 3h86 n ASP 116 Cb 0.52 0.05 -0.11 0.00 1.84 0.00 0.00 41.12 43.42 3h86 n ASP 116 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3h86 s ILE 117 N -2.72 -0.02 0.00 0.53 1.01 -1.08 -2.77 121.20 116.16 3h86 s ILE 117 Ca 0.20 0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.95 3h86 s ILE 117 Cb 0.19 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 3h86 s ILE 117 CO 0.57 0.03 -0.08 -0.69 0.00 0.00 0.00 174.94 174.76 3h86 s VAL 118 N 1.02 3.54 -0.07 2.92 1.01 -0.42 -0.70 120.40 127.71 3h86 s VAL 118 Ca -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3h86 s VAL 118 Cb -0.07 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.80 3h86 s VAL 118 CO -0.08 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 174.71 3h86 s ILE 119 N -0.98 0.84 -0.31 2.22 1.01 0.24 -1.57 121.20 122.66 3h86 s ILE 119 Ca 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3h86 s ILE 119 Cb -0.11 -0.83 0.02 0.00 0.01 0.00 0.00 42.46 41.55 3h86 s ILE 119 CO 0.07 0.30 0.09 -0.69 0.00 0.00 0.00 174.94 174.71 3h86 s VAL 120 N 1.04 3.87 -0.24 2.92 1.01 -0.07 0.37 120.40 129.30 3h86 s VAL 120 Ca -0.08 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 3h86 s VAL 120 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3h86 s VAL 120 CO -0.00 -0.01 0.41 -0.69 0.00 0.00 0.00 175.10 174.81 3h86 s VAL 121 N 1.46 5.16 0.02 2.92 1.01 0.15 -0.93 120.40 130.19 3h86 s VAL 121 Ca 0.01 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.75 3h86 s VAL 121 Cb -0.18 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3h86 s VAL 121 CO 0.02 0.18 -0.19 -1.61 0.00 0.00 0.00 175.10 173.50 3h86 s GLU 122 N 1.83 1.42 0.38 2.72 2.02 -0.97 -4.41 118.70 121.68 3h86 s GLU 122 Ca 0.18 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 3h86 s GLU 122 Cb -0.15 -1.46 0.05 0.00 0.10 0.00 0.00 34.13 32.67 3h86 s GLU 122 CO 0.09 0.38 0.77 -0.08 0.02 0.00 0.00 175.26 176.45 3h86 s THR 123 N -0.64 0.00 0.62 3.63 -1.32 -1.26 -0.92 115.64 115.74 3h86 s THR 123 Ca 0.07 -1.02 -0.18 0.00 -1.21 0.00 0.00 61.69 59.35 3h86 s THR 123 Cb -0.08 -2.80 -0.02 0.00 -1.51 0.00 0.00 72.50 68.09 3h86 s THR 123 CO 0.01 0.00 1.22 -1.81 -2.21 0.00 0.00 174.62 171.83 3h86 s ASP 124 N -3.06 4.98 0.29 8.08 1.01 -1.26 -4.67 116.67 122.02 3h86 s ASP 124 Ca 0.16 2.42 0.02 0.00 0.71 0.00 0.00 52.55 55.86 3h86 s ASP 124 Cb -0.05 -2.60 0.58 0.00 1.01 0.00 0.00 42.92 41.86 3h86 s ASP 124 CO 0.11 -1.74 1.84 1.23 0.21 0.00 0.00 175.17 176.82 3h86 h GLY 125 N 0.68 1.63 1.14 0.21 0.00 -1.96 0.12 103.07 104.88 3h86 h GLY 125 Ca -0.50 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.42 3h86 h GLY 125 CO 0.54 0.15 0.58 -0.55 0.00 0.00 0.00 176.54 177.25 3h86 h ASP 126 N 0.97 0.99 0.00 0.19 5.19 -1.94 0.48 116.42 122.30 3h86 h ASP 126 Ca 0.50 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.84 3h86 h ASP 126 Cb 0.52 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3h86 h ASP 126 CO -0.27 0.71 -0.32 -0.33 -3.12 0.00 0.00 179.24 175.92 3h86 h GLU 127 N 1.17 0.00 -0.99 3.56 5.08 -1.47 -2.94 114.58 118.99 3h86 h GLU 127 Ca 0.32 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.88 3h86 h GLU 127 Cb -0.12 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 28.94 3h86 h GLU 127 CO -0.07 0.60 -0.25 -0.89 -1.00 0.00 0.00 179.01 177.39 3h86 n ILE 128 N -4.62 -0.42 0.14 3.13 5.41 0.25 0.17 119.36 123.42 3h86 n ILE 128 Ca -0.11 2.26 0.17 0.00 1.00 0.00 0.00 62.75 66.07 3h86 n ILE 128 Cb 0.36 -3.13 0.76 0.00 -0.71 0.00 0.00 39.64 36.92 3h86 n ILE 128 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3h86 h LEU 129 N 0.00 0.00 0.02 1.39 5.85 -0.11 -2.48 115.31 119.97 3h86 h LEU 129 Ca 0.47 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.84 3h86 h LEU 129 Cb 0.72 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 3h86 h LEU 129 CO -1.02 0.00 -2.17 0.80 -0.34 0.00 0.00 178.44 175.72 3h86 n MET 130 N -4.04 0.68 0.23 1.25 1.56 0.46 -2.79 117.12 114.45 3h86 n MET 130 Ca 0.04 0.14 0.07 0.00 -0.27 0.00 0.00 57.70 57.68 3h86 n MET 130 Cb 0.42 -1.62 0.53 0.00 2.15 0.00 0.00 33.22 34.70 3h86 n MET 130 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3h86 h ARG 131 N 0.01 0.00 -0.19 2.12 3.08 -0.71 -2.87 114.38 115.82 3h86 h ARG 131 Ca -0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 3h86 h ARG 131 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.13 3h86 h ARG 131 CO 0.03 0.21 -0.41 0.00 -1.07 0.00 0.00 179.97 178.72 3h86 h ARG 132 N 0.00 0.44 -0.33 0.04 3.08 -1.27 0.77 114.38 117.12 3h86 h ARG 132 Ca -0.00 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 3h86 h ARG 132 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3h86 h ARG 132 CO 0.03 0.78 -0.21 1.25 -1.07 0.00 0.00 179.97 180.75 3h86 h LEU 133 N 0.37 0.62 -0.02 3.04 5.85 -1.43 -2.70 115.31 121.03 3h86 h LEU 133 Ca 0.03 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3h86 h LEU 133 Cb 0.88 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3h86 h LEU 133 CO 0.07 0.83 0.00 -1.54 -0.34 0.00 0.00 178.44 177.46 3h86 n SER 134 N -4.13 0.77 -4.58 1.25 3.41 -0.91 -4.52 113.62 104.90 3h86 n SER 134 Ca 0.00 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 3h86 n SER 134 Cb 0.40 -0.78 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 3h86 n SER 134 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h86 s ASP 135 N -4.44 6.64 0.34 4.04 1.01 0.22 -4.69 116.67 119.80 3h86 s ASP 135 Ca 0.11 -2.27 0.25 0.00 0.71 0.00 0.00 52.55 51.34 3h86 s ASP 135 Cb 0.13 -2.58 0.59 0.00 1.01 0.00 0.00 42.92 42.07 3h86 s ASP 135 CO 0.59 -1.37 1.70 1.05 0.21 0.00 0.00 175.17 177.34 3h86 h GLU 136 N 7.99 0.00 -0.21 8.23 4.11 -1.82 -3.16 114.58 129.73 3h86 h GLU 136 Ca 0.40 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.90 3h86 h GLU 136 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3h86 h GLU 136 CO 1.44 0.00 0.26 0.66 0.07 0.00 0.00 179.01 181.44 3h86 h SER 137 N 0.00 0.00 -4.22 3.06 4.64 -1.97 -3.43 113.55 111.64 3h86 h SER 137 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3h86 h SER 137 Cb 0.85 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.73 3h86 h SER 137 CO 0.00 0.00 -0.82 -0.13 -0.87 0.00 0.00 176.83 175.01 3h86 s ARG 138 N -4.56 1.09 -0.99 4.77 0.52 -1.19 -5.06 118.95 113.53 3h86 s ARG 138 Ca -0.04 -1.14 -0.08 0.00 -0.52 0.00 0.00 55.73 53.95 3h86 s ARG 138 Cb 0.15 -1.32 -0.15 0.00 0.52 0.00 0.00 34.95 34.14 3h86 s ARG 138 CO 0.52 0.31 3.12 1.63 0.02 0.00 0.00 175.30 180.89 3h86 n LYS 139 N 1.11 2.96 -0.77 3.54 5.02 -1.26 -4.95 118.16 123.81 3h86 n LYS 139 Ca -0.20 -1.70 -0.30 0.00 -2.02 0.00 0.00 58.31 54.10 3h86 n LYS 139 Cb 0.54 -2.48 0.19 0.00 -0.02 0.00 0.00 35.03 33.26 3h86 n LYS 139 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3h86 s ARG 140 N 1.84 0.30 -0.15 1.97 6.06 -1.26 -4.99 118.95 122.71 3h86 s ARG 140 Ca 0.66 1.07 -0.16 0.00 -2.50 0.00 0.00 55.73 54.80 3h86 s ARG 140 Cb 0.22 -1.68 -0.24 0.00 0.06 0.00 0.00 34.95 33.32 3h86 s ARG 140 CO -0.04 -2.97 0.37 -0.44 -2.50 0.00 0.00 175.30 169.72 3h86 h ASP 141 N -2.09 0.23 -3.65 -2.12 3.45 -1.95 -3.51 116.42 106.78 3h86 h ASP 141 Ca -0.52 -0.75 0.00 0.00 0.43 0.00 0.00 57.03 56.19 3h86 h ASP 141 Cb 1.30 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3h86 h ASP 141 CO 0.49 1.62 -0.07 -0.11 -1.57 0.00 0.00 179.24 179.59 3h86 n LEU 142 N -4.02 -3.52 -5.02 1.55 7.94 -1.26 -5.10 117.00 107.57 3h86 n LEU 142 Ca -0.29 0.07 -0.18 0.00 -1.11 0.00 0.00 56.01 54.50 3h86 n LEU 142 Cb 0.84 -1.66 0.03 0.00 0.53 0.00 0.00 43.42 43.16 3h86 n LEU 142 CO 0.32 -0.50 0.22 -1.61 -1.11 0.00 0.00 177.39 174.71 3h86 s GLU 143 N -2.18 2.65 0.84 1.96 2.02 -1.26 -5.14 118.70 117.60 3h86 s GLU 143 Ca 0.04 -1.33 -0.13 0.00 0.02 0.00 0.00 54.97 53.57 3h86 s GLU 143 Cb -0.01 -2.71 0.10 0.00 0.10 0.00 0.00 34.13 31.61 3h86 s GLU 143 CO 0.21 -0.47 1.21 0.95 0.02 0.00 0.00 175.26 177.18 3h86 s THR 144 N -2.47 2.00 -0.10 3.63 -4.23 -1.26 -4.98 115.64 108.23 3h86 s THR 144 Ca 0.57 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.24 3h86 s THR 144 Cb -0.09 -3.00 -0.14 0.00 1.34 0.00 0.00 72.50 70.61 3h86 s THR 144 CO 0.35 0.00 0.85 0.74 -0.54 0.00 0.00 174.62 176.03 3h86 h THR 145 N -1.18 0.64 -0.06 3.99 2.02 -1.99 -2.70 112.91 113.64 3h86 h THR 145 Ca -0.46 -2.21 -0.10 0.00 0.77 0.00 0.00 66.41 64.41 3h86 h THR 145 Cb 1.31 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 3h86 h THR 145 CO 0.60 0.37 -0.44 0.00 0.37 0.00 0.00 175.52 176.42 3h86 h ALA 146 N 1.32 1.16 0.07 6.16 0.00 -1.99 0.15 119.26 126.13 3h86 h ALA 146 Ca -0.17 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.03 3h86 h ALA 146 Cb 1.67 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3h86 h ALA 146 CO 0.06 0.59 -1.52 0.66 0.00 0.00 0.00 179.25 179.04 3h86 h SER 147 N 0.11 0.24 -0.06 0.00 4.64 -1.96 -2.90 113.55 113.61 3h86 h SER 147 Ca 0.01 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 3h86 h SER 147 Cb 0.83 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 3h86 h SER 147 CO 0.06 1.30 -0.15 0.40 -0.87 0.00 0.00 176.83 177.57 3h86 h ILE 148 N 0.04 0.62 -0.91 0.95 2.04 -1.27 -0.60 117.51 118.38 3h86 h ILE 148 Ca -0.23 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.73 3h86 h ILE 148 Cb 1.98 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 3h86 h ILE 148 CO 0.13 0.00 0.58 -0.33 0.00 0.00 0.00 178.15 178.54 3h86 h GLU 149 N -0.22 0.87 0.86 2.37 4.39 -0.81 -1.19 114.58 120.84 3h86 h GLU 149 Ca 0.07 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3h86 h GLU 149 Cb 0.32 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3h86 h GLU 149 CO -0.19 0.57 -0.41 1.49 -1.16 0.00 0.00 179.01 179.31 3h86 h GLU 150 N 0.89 -1.11 -0.88 2.33 4.81 -1.31 -0.82 114.58 118.49 3h86 h GLU 150 Ca 0.43 0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.91 3h86 h GLU 150 Cb 0.43 0.25 -0.11 0.00 0.63 0.00 0.00 28.75 29.96 3h86 h GLU 150 CO -0.19 -0.74 0.44 1.25 -0.73 0.00 0.00 179.01 179.05 3h86 h HIS 151 N -1.24 0.76 0.00 0.92 2.76 -0.86 0.13 115.15 117.62 3h86 h HIS 151 Ca -0.12 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.07 3h86 h HIS 151 Cb 0.88 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 3h86 h HIS 151 CO 0.01 0.10 -0.11 1.96 -1.30 0.00 0.00 177.93 178.60 3h86 h GLN 152 N 0.56 0.00 0.71 5.26 4.20 -1.00 -0.21 115.11 124.63 3h86 h GLN 152 Ca 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.19 3h86 h GLN 152 Cb 0.83 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.62 3h86 h GLN 152 CO -0.42 0.11 -0.34 0.35 -0.67 0.00 0.00 178.83 177.85 3h86 h PHE 153 N 0.00 -0.89 -0.24 2.96 3.04 0.75 -2.57 116.94 119.99 3h86 h PHE 153 Ca -0.00 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 3h86 h PHE 153 Cb 0.36 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 3h86 h PHE 153 CO 0.00 -0.53 -0.01 0.52 -2.02 0.00 0.00 178.31 176.27 3h86 h MET 154 N -1.19 0.35 0.20 1.11 2.86 -1.23 -1.07 114.93 115.95 3h86 h MET 154 Ca -0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3h86 h MET 154 Cb 0.75 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3h86 h MET 154 CO 0.16 0.39 -0.20 -0.91 1.06 0.00 0.00 176.91 177.41 3h86 h ASN 155 N 0.34 -0.54 -0.24 1.22 4.21 -1.10 -1.42 115.58 118.06 3h86 h ASN 155 Ca 0.08 0.05 0.07 0.00 1.21 0.00 0.00 56.30 57.71 3h86 h ASN 155 Cb 0.25 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3h86 h ASN 155 CO 0.01 -0.30 0.21 0.03 -1.29 0.00 0.00 177.43 176.08 3h86 h ARG 156 N -0.43 0.00 0.01 0.81 3.08 -0.77 -0.93 114.38 116.15 3h86 h ARG 156 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3h86 h ARG 156 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3h86 h ARG 156 CO -0.05 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.65 3h86 h ALA 157 N 1.81 0.00 -0.23 0.04 0.00 -1.07 -0.54 119.26 119.27 3h86 h ALA 157 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h86 h ALA 157 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h86 h ALA 157 CO -0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3h86 n ALA 158 N -2.56 -0.18 -0.16 0.00 0.00 -0.58 -0.56 120.51 116.47 3h86 n ALA 158 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3h86 n ALA 158 Cb 0.51 0.29 0.15 0.00 0.00 0.00 0.00 19.45 20.40 3h86 n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h86 n ALA 159 N -2.46 0.26 0.06 0.00 0.00 -0.43 0.75 120.51 118.68 3h86 n ALA 159 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 3h86 n ALA 159 Cb 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 3h86 n ALA 159 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3h86 h MET 160 N 0.00 0.05 -0.56 0.00 -1.53 0.28 -2.46 114.93 110.72 3h86 h MET 160 Ca 0.29 -0.09 -0.10 0.00 -3.44 0.00 0.00 59.70 56.36 3h86 h MET 160 Cb 0.62 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.68 3h86 h MET 160 CO -0.43 1.00 -0.04 0.77 0.14 0.00 0.00 176.91 178.35 3h86 h SER 161 N 0.01 0.98 0.03 1.39 0.02 0.29 -2.31 113.55 113.97 3h86 h SER 161 Ca -0.06 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3h86 h SER 161 Cb 1.83 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 64.05 3h86 h SER 161 CO 0.14 1.05 -0.42 1.88 -1.14 0.00 0.00 176.83 178.34 3h86 h TYR 162 N 0.90 -1.19 -0.79 3.45 0.05 0.18 -1.82 116.97 117.74 3h86 h TYR 162 Ca 0.16 0.04 0.11 0.00 0.05 0.00 0.00 58.73 59.08 3h86 h TYR 162 Cb 0.58 0.52 -0.13 0.00 1.01 0.00 0.00 36.73 38.71 3h86 h TYR 162 CO 0.04 -0.50 -0.43 0.78 -1.05 0.00 0.00 178.16 176.99 3h86 h GLY 163 N -0.60 -0.30 0.99 3.88 0.00 -1.15 0.34 103.07 106.22 3h86 h GLY 163 Ca 0.04 0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.94 3h86 h GLY 163 CO -0.30 -0.15 0.25 -2.08 0.00 0.00 0.00 176.54 174.27 3h86 h VAL 164 N -0.11 1.13 0.00 4.60 2.07 -1.34 1.73 116.25 124.33 3h86 h VAL 164 Ca 0.24 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3h86 h VAL 164 Cb 0.55 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3h86 h VAL 164 CO -0.83 0.13 -0.30 -0.07 0.02 0.00 0.00 177.57 176.52 3h86 h LEU 165 N 0.55 0.00 -2.79 2.57 3.38 -0.34 -3.27 115.31 115.40 3h86 h LEU 165 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3h86 h LEU 165 Cb -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3h86 h LEU 165 CO -0.03 0.30 -0.35 0.35 0.09 0.00 0.00 178.44 178.81 3h86 n THR 166 N -3.98 1.36 -0.43 0.22 -2.24 0.11 -4.99 114.28 104.33 3h86 n THR 166 Ca -0.02 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 3h86 n THR 166 Cb 0.36 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.84 0.00 3.77 3.38 0.00 0.58 -4.86 105.19 107.21 3h86 n GLY 167 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3h86 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h86 s ALA 168 N -0.79 2.78 0.02 4.61 0.00 -1.09 -5.00 121.76 122.29 3h86 s ALA 168 Ca 0.00 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 3h86 s ALA 168 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3h86 s ALA 168 CO 0.00 -0.87 0.68 0.95 0.00 0.00 0.00 175.76 176.52 3h86 s THR 169 N -1.60 4.82 -0.32 0.00 -4.23 -1.11 -4.48 115.64 108.73 3h86 s THR 169 Ca 0.70 1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 62.48 3h86 s THR 169 Cb -0.29 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.51 3h86 s THR 169 CO 0.33 0.39 0.51 -0.69 -0.54 0.00 0.00 174.62 174.62 3h86 s VAL 170 N -0.11 5.03 -0.18 2.29 1.01 -1.26 -1.29 120.40 125.89 3h86 s VAL 170 Ca 0.35 0.55 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 3h86 s VAL 170 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3h86 s VAL 170 CO 0.20 -0.10 0.03 -0.75 0.00 0.00 0.00 175.10 174.48 3h86 s LYS 171 N 2.37 3.86 -0.44 2.72 2.47 -0.61 -5.00 119.74 125.12 3h86 s LYS 171 Ca 0.20 -0.41 -0.16 0.00 -1.56 0.00 0.00 55.97 54.04 3h86 s LYS 171 Cb -0.15 -3.12 0.04 0.00 -1.46 0.00 0.00 37.83 33.13 3h86 s LYS 171 CO 0.12 0.24 0.39 0.42 0.16 0.00 0.00 175.35 176.68 3h86 s ILE 172 N 0.43 5.19 -0.34 5.43 1.01 -1.26 -0.89 121.20 130.76 3h86 s ILE 172 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3h86 s ILE 172 Cb -0.13 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3h86 s ILE 172 CO 0.01 -0.48 0.19 -0.69 0.00 0.00 0.00 174.94 173.98 3h86 s VAL 173 N 1.83 4.76 0.06 2.92 1.01 -0.11 -4.98 120.40 125.90 3h86 s VAL 173 Ca 0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3h86 s VAL 173 Cb -0.21 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3h86 s VAL 173 CO 0.10 -0.06 1.10 -0.54 0.00 0.00 0.00 175.10 175.69 3h86 s LYS 174 N 1.62 4.51 -0.46 2.72 -0.14 -1.26 -2.30 119.74 124.44 3h86 s LYS 174 Ca 0.04 1.63 0.03 0.00 -1.36 0.00 0.00 55.97 56.31 3h86 s LYS 174 Cb -0.18 -3.38 0.15 0.00 -1.68 0.00 0.00 37.83 32.75 3h86 s LYS 174 CO 0.07 -0.11 0.31 1.21 -0.76 0.00 0.00 175.35 176.07 3h86 s ASN 175 N 0.81 2.95 0.74 2.83 3.04 -0.10 -4.48 114.94 120.73 3h86 s ASN 175 Ca 0.54 -2.91 -0.12 0.00 0.04 0.00 0.00 52.86 50.42 3h86 s ASN 175 Cb -0.26 -0.81 0.03 0.00 -1.54 0.00 0.00 41.25 38.67 3h86 s ASN 175 CO 0.30 -0.21 1.11 -0.54 -3.04 0.00 0.00 177.10 174.71 3h86 s LYS 176 N 0.08 2.59 0.13 0.43 -0.14 -1.26 -4.64 119.74 116.93 3h86 s LYS 176 Ca 0.24 0.46 -0.31 0.00 -1.36 0.00 0.00 55.97 55.00 3h86 s LYS 176 Cb -0.11 -1.99 -0.10 0.00 -1.68 0.00 0.00 37.83 33.95 3h86 s LYS 176 CO -0.09 -1.23 1.78 -0.80 -0.76 0.00 0.00 175.35 174.25 3h86 s ASN 177 N -4.28 6.45 0.00 2.83 -0.87 -1.26 -2.25 114.94 115.55 3h86 s ASN 177 Ca 0.59 2.74 0.00 0.00 -1.57 0.00 0.00 52.86 54.62 3h86 s ASN 177 Cb -0.12 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.54 3h86 s ASN 177 CO 0.52 -0.98 0.00 0.61 -2.57 0.00 0.00 177.10 174.68 3h86 n GLY 178 N 4.14 1.59 1.12 0.66 0.00 -1.26 -4.87 105.19 106.57 3h86 n GLY 178 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 3.80 -0.26 0.99 4.77 -0.96 -4.75 117.00 120.60 3h86 n LEU 179 Ca 0.00 -4.02 0.22 0.00 -0.03 0.00 0.00 56.01 52.17 3h86 n LEU 179 Cb 0.00 -0.56 0.40 0.00 -2.33 0.00 0.00 43.42 40.94 3h86 n LEU 179 CO 0.00 1.48 0.78 0.52 -1.33 0.00 0.00 177.39 178.84 3h86 n VAL 180 N -1.05 -0.33 0.11 4.08 0.31 -1.25 -1.91 118.33 118.29 3h86 n VAL 180 Ca 0.30 1.63 -0.03 0.00 -0.01 0.00 0.00 64.34 66.23 3h86 n VAL 180 Cb 0.87 -2.58 0.12 0.00 -0.91 0.00 0.00 33.84 31.34 3h86 n VAL 180 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3h86 h ASP 181 N 0.00 0.10 -0.47 4.52 3.45 -1.94 -2.66 116.42 119.42 3h86 h ASP 181 Ca 0.62 -0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.96 3h86 h ASP 181 Cb 1.57 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.28 3h86 h ASP 181 CO -0.64 0.74 0.10 0.78 -1.57 0.00 0.00 179.24 178.64 3h86 h ASN 182 N 0.06 0.79 0.25 6.45 4.21 -1.78 -0.25 115.58 125.31 3h86 h ASN 182 Ca -0.01 -0.15 -0.22 0.00 1.21 0.00 0.00 56.30 57.12 3h86 h ASN 182 Cb 1.18 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 38.18 3h86 h ASN 182 CO 0.09 0.79 -0.91 0.00 -1.29 0.00 0.00 177.43 176.11 3h86 h ALA 183 N 1.31 0.36 0.08 -0.83 0.00 -1.61 -1.34 119.26 117.23 3h86 h ALA 183 Ca 0.17 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.42 3h86 h ALA 183 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3h86 h ALA 183 CO 0.00 0.78 -0.33 0.28 0.00 0.00 0.00 179.25 179.99 3h86 h VAL 184 N 0.28 0.30 -0.28 0.00 2.07 -1.22 0.34 116.25 117.75 3h86 h VAL 184 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3h86 h VAL 184 Cb 1.54 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3h86 h VAL 184 CO 0.16 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.88 3h86 h GLU 185 N -0.53 0.00 0.04 1.57 4.57 -0.94 -0.92 114.58 118.38 3h86 h GLU 185 Ca 0.04 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 3h86 h GLU 185 Cb 0.58 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 3h86 h GLU 185 CO -0.22 0.00 -0.31 1.49 -1.18 0.00 0.00 179.01 178.80 3h86 h GLU 186 N 0.00 0.14 -0.01 1.92 4.81 -0.38 -2.81 114.58 118.26 3h86 h GLU 186 Ca 0.13 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3h86 h GLU 186 Cb 0.54 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 3h86 h GLU 186 CO -0.00 1.03 -0.35 1.25 -0.73 0.00 0.00 179.01 180.21 3h86 h LEU 187 N -0.65 -1.08 -0.58 1.64 6.46 -0.12 -2.96 115.31 118.02 3h86 h LEU 187 Ca -0.05 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 3h86 h LEU 187 Cb 1.17 0.41 -0.11 0.00 -0.73 0.00 0.00 40.66 41.39 3h86 h LEU 187 CO 0.06 -0.34 -0.35 0.24 -0.62 0.00 0.00 178.44 177.43 3h86 h MET 188 N -0.43 -0.17 0.00 1.25 2.86 -1.27 -0.97 114.93 116.19 3h86 h MET 188 Ca 0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3h86 h MET 188 Cb 0.46 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3h86 h MET 188 CO -0.24 -0.11 0.00 -1.13 1.06 0.00 0.00 176.91 176.49 3h86 n SER 189 N -5.43 0.08 0.06 1.22 3.41 -1.06 -0.45 113.62 111.46 3h86 n SER 189 Ca 0.04 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 3h86 n SER 189 Cb 0.35 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3h86 n SER 189 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3h86 n VAL 190 N -1.59 0.39 0.01 -3.33 3.14 -0.40 -4.30 118.33 112.24 3h86 n VAL 190 Ca 0.03 -0.40 -0.21 0.00 -2.96 0.00 0.00 64.34 60.80 3h86 n VAL 190 Cb 0.14 -0.12 -0.14 0.00 -1.06 0.00 0.00 33.84 32.66 3h86 n VAL 190 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3h86 h LEU 191 N 0.00 0.36 0.00 6.55 3.38 -0.37 -3.51 115.31 121.72 3h86 h LEU 191 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3h86 h LEU 191 Cb 0.87 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3h86 h LEU 191 CO 0.00 1.51 0.00 -1.14 0.09 0.00 0.00 178.44 178.90