#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h86 s ASN 3 N 0.00 6.66 -0.44 -5.58 -0.87 -1.26 -5.05 114.94 108.40 3h86 s ASN 3 Ca 0.00 0.78 -0.19 0.00 -1.57 0.00 0.00 52.86 51.88 3h86 s ASN 3 Cb 0.00 -2.26 0.03 0.00 -0.02 0.00 0.00 41.25 39.00 3h86 s ASN 3 CO 0.00 0.09 0.55 -0.75 -2.57 0.00 0.00 177.10 174.43 3h86 s LYS 4 N 0.22 3.18 -0.42 -0.60 2.20 -1.26 -4.97 119.74 118.08 3h86 s LYS 4 Ca 0.23 -0.60 -0.17 0.00 -0.36 0.00 0.00 55.97 55.07 3h86 s LYS 4 Cb -0.15 -3.98 0.02 0.00 -1.51 0.00 0.00 37.83 32.22 3h86 s LYS 4 CO 0.10 -0.97 0.42 0.08 -0.36 0.00 0.00 175.35 174.62 3h86 s VAL 5 N 2.51 5.11 -0.17 4.02 1.01 -1.26 -1.30 120.40 130.30 3h86 s VAL 5 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 3h86 s VAL 5 Cb -0.16 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3h86 s VAL 5 CO 0.16 -0.42 0.04 -0.69 0.00 0.00 0.00 175.10 174.18 3h86 s VAL 6 N 2.08 4.60 -0.10 2.92 1.01 -0.84 -0.47 120.40 129.60 3h86 s VAL 6 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3h86 s VAL 6 Cb -0.18 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3h86 s VAL 6 CO 0.13 0.47 0.08 -0.69 0.00 0.00 0.00 175.10 175.09 3h86 s VAL 7 N 0.33 4.97 -0.04 2.92 1.01 -0.22 0.19 120.40 129.57 3h86 s VAL 7 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3h86 s VAL 7 Cb -0.13 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.14 3h86 s VAL 7 CO 0.01 0.60 0.00 -0.69 0.00 0.00 0.00 175.10 175.02 3h86 s VAL 8 N -0.98 0.25 0.06 2.92 1.01 -0.45 -1.20 120.40 122.01 3h86 s VAL 8 Ca 0.15 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3h86 s VAL 8 Cb -0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3h86 s VAL 8 CO 0.04 0.19 -0.07 0.42 0.00 0.00 0.00 175.10 175.67 3h86 s THR 9 N 1.37 0.59 -0.30 3.92 -4.23 -0.10 -0.98 115.64 115.91 3h86 s THR 9 Ca -0.05 -1.34 -0.25 0.00 -1.18 0.00 0.00 61.69 58.87 3h86 s THR 9 Cb -0.13 -0.94 0.18 0.00 1.34 0.00 0.00 72.50 72.95 3h86 s THR 9 CO -0.02 -0.53 1.40 -0.83 -0.54 0.00 0.00 174.62 174.09 3h86 s GLY 10 N -2.03 0.30 0.81 3.99 0.00 -1.26 -0.78 107.32 108.36 3h86 s GLY 10 Ca -0.03 3.43 -0.13 0.00 0.00 0.00 0.00 44.72 47.99 3h86 s GLY 10 CO -0.01 1.92 1.21 -1.34 0.00 0.00 0.00 173.10 174.87 3h86 s VAL 11 N 0.03 2.04 0.17 1.40 -7.23 -1.26 -4.81 120.40 110.74 3h86 s VAL 11 Ca 0.07 0.02 -0.33 0.00 -1.81 0.00 0.00 61.98 59.93 3h86 s VAL 11 Cb -0.05 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.32 3h86 s VAL 11 CO -0.15 -0.01 1.35 -2.65 -0.31 0.00 0.00 175.10 173.33 3h86 n PRO 12 N -3.32 1.60 0.00 4.82 -0.02 -1.26 -1.99 135.00 134.83 3h86 n PRO 12 Ca 0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3h86 n PRO 12 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.43 2.64 0.19 -1.23 0.00 -1.26 -4.93 105.19 103.03 3h86 n GLY 13 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 1.33 0.00 1.61 3.04 -1.71 -3.43 116.25 117.09 3h86 h VAL 14 Ca 0.00 -2.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 3h86 h VAL 14 Cb 0.00 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 3h86 h VAL 14 CO 0.00 0.62 0.00 0.61 -1.01 0.00 0.00 177.57 177.79 3h86 n GLY 15 N 0.86 1.48 0.33 3.17 0.00 -1.26 -4.89 105.19 104.87 3h86 n GLY 15 Ca -0.09 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.13 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 1.84 0.00 -0.02 0.00 -1.88 -1.32 103.07 101.69 3h86 h GLY 16 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3h86 h GLY 16 CO 0.00 -0.42 0.00 2.41 0.00 0.00 0.00 176.54 178.53 3h86 n THR 17 N -5.07 0.00 -0.48 4.70 -1.04 -1.26 -2.50 114.28 108.62 3h86 n THR 17 Ca 0.28 1.12 0.40 0.00 -2.04 0.00 0.00 64.05 63.82 3h86 n THR 17 Cb 0.86 -2.09 0.68 0.00 -1.82 0.00 0.00 70.33 67.96 3h86 n THR 17 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3h86 h THR 18 N 0.00 0.04 -0.57 12.58 1.35 -1.98 0.88 112.91 125.21 3h86 h THR 18 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 3h86 h THR 18 Cb 0.00 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.40 3h86 h THR 18 CO 0.00 0.00 0.30 0.58 -0.25 0.00 0.00 175.52 176.16 3h86 h VAL 19 N 0.03 1.19 0.01 6.82 2.07 -1.15 -1.81 116.25 123.41 3h86 h VAL 19 Ca 0.87 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.90 3h86 h VAL 19 Cb 2.84 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3h86 h VAL 19 CO -0.42 0.21 -0.00 0.74 0.02 0.00 0.00 177.57 178.11 3h86 h THR 20 N 0.76 1.55 -0.46 2.57 2.02 -0.59 -2.86 112.91 115.90 3h86 h THR 20 Ca 0.20 -1.99 0.04 0.00 0.77 0.00 0.00 66.41 65.43 3h86 h THR 20 Cb 0.06 2.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 3h86 h THR 20 CO -0.03 0.49 -0.27 0.00 0.37 0.00 0.00 175.52 176.08 3h86 n GLN 21 N -4.68 -0.20 -0.20 6.66 1.13 -0.25 -1.50 117.38 118.34 3h86 n GLN 21 Ca -0.09 0.90 -0.09 0.00 -1.94 0.00 0.00 57.00 55.78 3h86 n GLN 21 Cb 0.40 -1.33 0.02 0.00 0.11 0.00 0.00 30.24 29.43 3h86 n GLN 21 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3h86 h LYS 22 N 0.00 1.05 -0.26 -1.09 1.57 -1.40 -1.52 116.57 114.92 3h86 h LYS 22 Ca 0.07 -0.35 0.08 0.00 -1.87 0.00 0.00 60.65 58.58 3h86 h LYS 22 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3h86 h LYS 22 CO -0.43 1.05 0.29 0.00 -0.57 0.00 0.00 179.45 179.78 3h86 h ALA 23 N 0.97 1.91 0.00 3.86 0.00 -1.02 -3.05 119.26 121.93 3h86 h ALA 23 Ca 0.16 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.68 3h86 h ALA 23 Cb 0.59 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3h86 h ALA 23 CO 0.03 -0.42 -2.11 -1.33 0.00 0.00 0.00 179.25 175.42 3h86 n MET 24 N -3.76 0.58 -0.19 0.00 2.81 -0.60 -3.26 117.12 112.70 3h86 n MET 24 Ca 0.04 0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 56.25 3h86 n MET 24 Cb 0.43 -1.58 -0.04 0.00 -0.71 0.00 0.00 33.22 31.32 3h86 n MET 24 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3h86 n ASP 25 N -4.31 -0.47 -0.32 7.83 8.00 -1.06 0.22 116.55 126.44 3h86 n ASP 25 Ca -0.47 0.80 0.05 0.00 0.71 0.00 0.00 54.79 55.88 3h86 n ASP 25 Cb 0.82 -0.11 0.20 0.00 -0.02 0.00 0.00 41.12 42.01 3h86 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3h86 h ILE 26 N 0.00 0.90 -0.03 0.53 2.04 -1.72 0.21 117.51 119.44 3h86 h ILE 26 Ca 0.08 -0.29 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 3h86 h ILE 26 Cb 0.19 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 3h86 h ILE 26 CO -0.42 0.16 -0.68 -0.07 0.00 0.00 0.00 178.15 177.14 3h86 h LEU 27 N 0.85 0.17 0.00 1.44 3.38 0.26 -3.14 115.31 118.28 3h86 h LEU 27 Ca 0.44 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 3h86 h LEU 27 Cb 0.44 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3h86 h LEU 27 CO -0.27 0.80 -0.63 0.77 0.09 0.00 0.00 178.44 179.20 3h86 h SER 28 N 0.10 0.00 -0.63 -0.43 4.64 0.28 -2.40 113.55 115.11 3h86 h SER 28 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 3h86 h SER 28 Cb 1.21 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.19 3h86 h SER 28 CO 0.10 0.50 0.22 -0.62 -0.87 0.00 0.00 176.83 176.16 3h86 n GLU 29 N -3.17 3.40 -0.40 4.77 1.02 0.61 -3.79 120.64 123.09 3h86 n GLU 29 Ca 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.53 3h86 n GLU 29 Cb 0.74 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3h86 n GLU 29 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3h86 n GLU 30 N -0.04 0.00 0.00 3.49 0.28 -1.12 -5.00 120.64 118.25 3h86 n GLU 30 Ca 0.34 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 3h86 n GLU 30 Cb 1.23 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 33.84 3h86 n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h86 n GLY 31 N 0.00 2.42 3.57 -1.84 0.00 -0.93 -5.01 105.19 103.40 3h86 n GLY 31 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 4.10 -0.57 0.99 1.43 -1.04 -4.88 118.68 118.70 3h86 s LEU 32 Ca 0.00 0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 53.07 3h86 s LEU 32 Cb 0.00 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 43.19 3h86 s LEU 32 CO 0.00 -0.92 0.78 0.21 0.23 0.00 0.00 176.35 176.65 3h86 s ASN 33 N 2.08 6.22 0.68 2.29 2.47 -1.26 -3.10 114.94 124.32 3h86 s ASN 33 Ca 0.34 -0.95 -0.17 0.00 0.42 0.00 0.00 52.86 52.50 3h86 s ASN 33 Cb -0.12 -2.35 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 3h86 s ASN 33 CO 0.22 -1.13 0.58 -1.22 -3.72 0.00 0.00 177.10 171.83 3h86 n TYR 34 N 6.80 -0.60 -2.46 0.43 4.02 -1.26 -4.80 117.16 119.29 3h86 n TYR 34 Ca -0.05 0.38 -0.43 0.00 -0.01 0.00 0.00 57.90 57.79 3h86 n TYR 34 Cb 0.45 -1.95 -0.02 0.00 -0.02 0.00 0.00 39.34 37.80 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 -2.61 4.07 -0.39 -0.72 2.47 0.12 -4.89 119.74 117.79 3h86 s LYS 35 Ca 0.67 1.40 -0.27 0.00 -1.56 0.00 0.00 55.97 56.21 3h86 s LYS 35 Cb -0.38 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.15 3h86 s LYS 35 CO 0.56 -0.91 2.02 0.00 0.16 0.00 0.00 175.35 177.18 3h86 s MET 36 N 3.80 2.90 -0.02 4.03 0.00 -1.26 -2.62 119.30 126.14 3h86 s MET 36 Ca 0.54 1.39 0.02 0.00 0.00 0.00 0.00 55.69 57.64 3h86 s MET 36 Cb -0.18 -4.35 0.00 0.00 0.00 0.00 0.00 34.83 30.30 3h86 s MET 36 CO 0.18 -2.37 -0.07 0.08 0.00 0.00 0.00 175.02 172.85 3h86 s VAL 37 N 8.69 0.56 -0.48 5.16 1.01 -1.21 -5.04 120.40 129.08 3h86 s VAL 37 Ca 0.85 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3h86 s VAL 37 Cb -0.22 -0.50 0.13 0.00 0.00 0.00 0.00 36.38 35.79 3h86 s VAL 37 CO 0.30 0.18 0.27 0.21 0.00 0.00 0.00 175.10 176.06 3h86 s ASN 38 N 0.11 5.10 0.31 3.32 3.04 -1.26 0.06 114.94 125.62 3h86 s ASN 38 Ca -0.01 -2.41 0.17 0.00 0.04 0.00 0.00 52.86 50.65 3h86 s ASN 38 Cb -0.06 -1.80 1.12 0.00 -1.54 0.00 0.00 41.25 38.98 3h86 s ASN 38 CO -0.00 -0.44 1.33 0.33 -3.04 0.00 0.00 177.10 175.28 3h86 n PHE 39 N 4.05 0.97 0.10 0.43 -0.00 -0.52 -0.60 117.46 121.89 3h86 n PHE 39 Ca 0.02 1.00 -0.16 0.00 -0.00 0.00 0.00 57.45 58.31 3h86 n PHE 39 Cb 0.39 -1.40 -0.13 0.00 -0.00 0.00 0.00 39.48 38.34 3h86 n PHE 39 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3h86 h GLY 40 N 0.00 0.32 0.69 7.13 0.00 -1.96 -2.56 103.07 106.69 3h86 h GLY 40 Ca 0.71 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 47.31 3h86 h GLY 40 CO -0.65 0.70 0.47 1.76 0.00 0.00 0.00 176.54 178.81 3h86 h SER 41 N 0.08 0.72 0.61 0.19 0.02 -1.23 0.56 113.55 114.51 3h86 h SER 41 Ca -0.13 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3h86 h SER 41 Cb 1.95 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 64.37 3h86 h SER 41 CO 0.20 0.46 -0.29 0.00 -1.14 0.00 0.00 176.83 176.06 3h86 h ALA 42 N 1.39 -0.98 0.00 3.77 0.00 -1.03 -2.94 119.26 119.47 3h86 h ALA 42 Ca 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h86 h ALA 42 Cb 0.19 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3h86 h ALA 42 CO -0.18 -0.92 -0.02 0.00 0.00 0.00 0.00 179.25 178.12 3h86 h MET 43 N -1.01 0.00 0.59 0.00 -0.00 -1.54 -3.11 114.93 109.87 3h86 h MET 43 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 3h86 h MET 43 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.24 3h86 h MET 43 CO 0.14 0.02 -0.29 0.35 -0.00 0.00 0.00 176.91 177.14 3h86 h PHE 44 N 0.00 -0.74 -1.33 -0.10 3.57 -0.80 -2.22 116.94 115.32 3h86 h PHE 44 Ca -0.00 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 61.90 3h86 h PHE 44 Cb 0.11 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 3h86 h PHE 44 CO 0.00 -0.40 0.92 -0.25 -2.23 0.00 0.00 178.31 176.34 3h86 n ASP 45 N -5.36 0.08 0.13 0.41 8.00 -1.12 0.22 116.55 118.91 3h86 n ASP 45 Ca -0.12 0.92 0.13 0.00 0.71 0.00 0.00 54.79 56.43 3h86 n ASP 45 Cb 0.35 -0.46 0.35 0.00 -0.02 0.00 0.00 41.12 41.35 3h86 n ASP 45 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3h86 h VAL 46 N 0.00 0.00 0.00 2.53 2.07 -1.35 -3.35 116.25 116.15 3h86 h VAL 46 Ca 0.71 -0.59 -0.35 0.00 0.82 0.00 0.00 66.70 67.29 3h86 h VAL 46 Cb 2.62 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 33.92 3h86 h VAL 46 CO -0.18 0.00 -2.26 0.00 0.02 0.00 0.00 177.57 175.15 3h86 n ALA 47 N -1.86 1.52 0.12 1.67 0.00 0.59 -4.02 120.51 118.52 3h86 n ALA 47 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 53.44 52.59 3h86 n ALA 47 Cb 0.45 0.07 0.42 0.00 0.00 0.00 0.00 19.45 20.39 3h86 n ALA 47 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3h86 h ASN 48 N -0.31 0.23 0.50 0.00 -1.07 -1.29 0.25 115.58 113.90 3h86 h ASN 48 Ca -0.53 -0.04 -0.07 0.00 0.07 0.00 0.00 56.30 55.74 3h86 h ASN 48 Cb 1.67 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.85 3h86 h ASN 48 CO -0.18 0.33 -0.31 1.05 0.07 0.00 0.00 177.43 178.39 3h86 h GLU 49 N 0.24 0.00 0.00 4.14 -0.00 -1.75 -1.76 114.58 115.45 3h86 h GLU 49 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.41 3h86 h GLU 49 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 3h86 h GLU 49 CO 0.01 0.31 -1.02 -1.91 -0.00 0.00 0.00 179.01 176.41 3h86 n GLU 50 N -3.82 0.19 0.00 1.06 4.07 0.27 -4.96 120.64 117.44 3h86 n GLU 50 Ca -0.01 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 3h86 n GLU 50 Cb 0.39 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 3h86 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h86 n GLY 51 N 1.42 0.93 0.20 8.31 0.00 0.63 -4.92 105.19 111.76 3h86 n GLY 51 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -7.25 0.99 3.38 -1.57 -3.41 115.31 107.45 3h86 h LEU 52 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3h86 h LEU 52 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 3h86 h LEU 52 CO 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.15 3h86 s ALA 53 N -3.59 -0.86 -0.05 1.53 0.00 -1.24 -4.97 121.76 112.58 3h86 s ALA 53 Ca -0.00 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.31 3h86 s ALA 53 Cb 0.09 -0.87 -0.24 0.00 0.00 0.00 0.00 23.12 22.09 3h86 s ALA 53 CO 0.34 -0.31 0.64 1.03 0.00 0.00 0.00 175.76 177.45 3h86 h SER 54 N 7.33 0.16 -4.13 0.00 0.87 -1.93 -3.32 113.55 112.53 3h86 h SER 54 Ca -0.35 -0.33 -0.63 0.00 -1.23 0.00 0.00 61.79 59.26 3h86 h SER 54 Cb 1.16 -0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 62.84 3h86 h SER 54 CO 0.29 1.29 -0.85 1.51 -0.53 0.00 0.00 176.83 178.54 3h86 s ASP 55 N -6.49 2.91 0.38 6.23 1.47 -1.26 -5.03 116.67 114.88 3h86 s ASP 55 Ca -0.10 -0.66 0.07 0.00 1.18 0.00 0.00 52.55 53.04 3h86 s ASP 55 Cb 0.08 -0.21 0.75 0.00 -0.34 0.00 0.00 42.92 43.20 3h86 s ASP 55 CO 0.81 0.16 1.96 0.08 0.68 0.00 0.00 175.17 178.86 3h86 h ARG 56 N 4.28 0.46 -0.40 2.11 0.11 -1.97 -3.17 114.38 115.80 3h86 h ARG 56 Ca -0.47 -0.07 0.02 0.00 0.10 0.00 0.00 59.98 59.56 3h86 h ARG 56 Cb 1.17 -0.08 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 3h86 h ARG 56 CO 0.41 0.43 0.23 -0.44 0.10 0.00 0.00 179.97 180.71 3h86 h ASP 57 N 0.46 0.38 -0.57 0.08 3.45 -2.00 -3.15 116.42 115.07 3h86 h ASP 57 Ca 0.11 0.01 -0.27 0.00 0.43 0.00 0.00 57.03 57.31 3h86 h ASP 57 Cb 0.19 -0.07 -0.16 0.00 -0.56 0.00 0.00 39.33 38.73 3h86 h ASP 57 CO -0.00 0.27 0.34 0.00 -1.57 0.00 0.00 179.24 178.28 3h86 n GLN 58 N -4.87 2.02 0.15 3.56 6.02 -1.20 -4.02 117.38 119.04 3h86 n GLN 58 Ca 0.01 -1.84 0.12 0.00 -0.01 0.00 0.00 57.00 55.28 3h86 n GLN 58 Cb 0.06 -1.76 0.25 0.00 1.02 0.00 0.00 30.24 29.82 3h86 n GLN 58 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3h86 h MET 59 N 0.90 0.00 0.00 -1.09 2.86 -1.72 -3.28 114.93 112.59 3h86 h MET 59 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3h86 h MET 59 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 3h86 h MET 59 CO 0.62 0.00 -0.82 2.89 1.06 0.00 0.00 176.91 180.65 3h86 n ARG 60 N -2.62 0.08 -0.15 1.72 1.85 -1.26 -3.22 116.66 113.07 3h86 n ARG 60 Ca 0.04 -0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.99 3h86 n ARG 60 Cb 0.48 -1.52 0.29 0.00 -1.05 0.00 0.00 32.46 30.66 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 -1.62 2.02 -0.48 2.89 4.76 -1.24 -4.65 118.16 119.84 3h86 n LYS 61 Ca 0.04 -1.55 -0.08 0.00 -2.87 0.00 0.00 58.31 53.85 3h86 n LYS 61 Cb 0.36 -1.42 0.05 0.00 -1.84 0.00 0.00 35.03 32.19 3h86 n LYS 61 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h86 n LEU 62 N 0.77 0.00 -4.79 -0.35 4.77 -1.20 -5.01 117.00 111.19 3h86 n LEU 62 Ca 0.17 -0.37 -0.36 0.00 -0.03 0.00 0.00 56.01 55.41 3h86 n LEU 62 Cb 0.42 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3h86 n LEU 62 CO 0.13 -0.76 0.67 -1.81 -1.33 0.00 0.00 177.39 174.29 3h86 s ASP 63 N -2.25 7.18 0.16 -1.43 1.11 -1.26 -4.89 116.67 115.30 3h86 s ASP 63 Ca 0.19 1.85 -0.28 0.00 0.18 0.00 0.00 52.55 54.50 3h86 s ASP 63 Cb -0.01 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.41 3h86 s ASP 63 CO 0.14 -0.18 1.56 -0.65 1.18 0.00 0.00 175.17 177.21 3h86 h PRO 64 N 2.86 -0.20 0.00 8.23 0.11 -1.95 0.75 132.00 141.81 3h86 h PRO 64 Ca -0.47 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3h86 h PRO 64 Cb 1.19 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h86 h PRO 64 CO 0.64 -0.13 -0.03 1.49 -0.21 0.00 0.00 178.00 179.76 3h86 h GLU 65 N -0.21 0.00 0.10 1.05 4.81 -1.99 0.63 114.58 118.97 3h86 h GLU 65 Ca 0.16 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.13 3h86 h GLU 65 Cb 0.55 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3h86 h GLU 65 CO -0.74 0.03 -1.20 1.15 -0.73 0.00 0.00 179.01 177.53 3h86 h THR 66 N 0.00 1.54 -0.59 0.32 2.02 -1.61 -2.20 112.91 112.39 3h86 h THR 66 Ca -0.00 -3.14 -0.04 0.00 0.77 0.00 0.00 66.41 64.01 3h86 h THR 66 Cb 0.06 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 3h86 h THR 66 CO 0.00 0.91 0.22 1.56 0.37 0.00 0.00 175.52 178.58 3h86 h GLN 67 N 0.06 0.87 -0.01 6.66 4.20 0.59 -2.46 115.11 125.02 3h86 h GLN 67 Ca -0.11 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.27 3h86 h GLN 67 Cb 1.93 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.55 3h86 h GLN 67 CO 0.19 0.73 -0.80 0.87 -0.67 0.00 0.00 178.83 179.15 3h86 h LYS 68 N 0.86 0.17 0.88 1.46 1.57 -0.84 0.30 116.57 120.96 3h86 h LYS 68 Ca 0.20 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3h86 h LYS 68 Cb 0.20 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3h86 h LYS 68 CO -0.02 0.88 -0.45 -0.09 -0.57 0.00 0.00 179.45 179.21 3h86 h ARG 69 N 0.10 -1.17 -0.56 3.15 2.43 -1.32 0.11 114.38 117.11 3h86 h ARG 69 Ca -0.03 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3h86 h ARG 69 Cb 1.40 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 31.19 3h86 h ARG 69 CO 0.12 -0.78 0.32 0.82 -1.51 0.00 0.00 179.97 178.94 3h86 h ILE 70 N -1.21 1.17 -0.34 1.20 1.08 -1.42 -1.09 117.51 116.89 3h86 h ILE 70 Ca -0.12 -0.41 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 3h86 h ILE 70 Cb 0.94 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.08 3h86 h ILE 70 CO 0.18 0.18 -0.06 -0.61 -0.69 0.00 0.00 178.15 177.15 3h86 h GLN 71 N 0.78 0.65 -0.34 2.37 4.15 -0.70 -0.72 115.11 121.30 3h86 h GLN 71 Ca 0.20 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3h86 h GLN 71 Cb 0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3h86 h GLN 71 CO -0.03 0.80 0.04 -0.22 -1.93 0.00 0.00 178.83 177.49 3h86 h LYS 72 N 0.44 0.57 -0.32 1.69 3.64 0.27 -0.16 116.57 122.70 3h86 h LYS 72 Ca 0.09 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3h86 h LYS 72 Cb 0.55 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 3h86 h LYS 72 CO 0.03 0.67 -0.03 0.52 -2.27 0.00 0.00 179.45 178.36 3h86 h MET 73 N 0.39 0.05 -0.61 1.90 2.86 -1.03 -1.83 114.93 116.66 3h86 h MET 73 Ca 0.10 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3h86 h MET 73 Cb 0.39 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3h86 h MET 73 CO 0.01 0.03 0.34 0.00 1.06 0.00 0.00 176.91 178.35 3h86 h ALA 74 N 1.29 1.45 -0.75 6.32 0.00 -0.87 -0.10 119.26 126.60 3h86 h ALA 74 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3h86 h ALA 74 Cb 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3h86 h ALA 74 CO -0.29 0.46 0.34 0.78 0.00 0.00 0.00 179.25 180.54 3h86 h GLY 75 N 0.90 1.17 1.63 0.00 0.00 -0.54 -1.76 103.07 104.47 3h86 h GLY 75 Ca 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3h86 h GLY 75 CO -0.04 0.56 -0.28 0.07 0.00 0.00 0.00 176.54 176.85 3h86 h ARG 76 N 1.08 0.00 -0.34 4.80 0.11 -0.91 -2.04 114.38 117.08 3h86 h ARG 76 Ca 0.26 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.21 3h86 h ARG 76 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 3h86 h ARG 76 CO -0.03 0.00 -0.32 0.87 0.10 0.00 0.00 179.97 180.59 3h86 h LYS 77 N 0.00 0.74 0.02 0.08 1.79 -0.34 -3.15 116.57 115.71 3h86 h LYS 77 Ca 0.00 -0.34 -0.21 0.00 -2.18 0.00 0.00 60.65 57.92 3h86 h LYS 77 Cb 0.77 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3h86 h LYS 77 CO 0.00 0.96 -0.99 0.82 -1.08 0.00 0.00 179.45 179.16 3h86 h ILE 78 N 0.63 1.61 -0.48 1.86 2.04 -1.34 -3.16 117.51 118.68 3h86 h ILE 78 Ca 0.07 -3.09 0.08 0.00 1.00 0.00 0.00 64.86 62.92 3h86 h ILE 78 Cb 0.84 2.73 -0.07 0.00 -0.74 0.00 0.00 36.82 39.59 3h86 h ILE 78 CO 0.07 0.89 0.07 0.00 0.00 0.00 0.00 178.15 179.18 3h86 h ALA 79 N 0.95 0.51 0.00 1.87 0.00 -1.35 0.10 119.26 121.34 3h86 h ALA 79 Ca -0.04 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h86 h ALA 79 Cb 1.70 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3h86 h ALA 79 CO 0.14 -0.33 -0.02 0.93 0.00 0.00 0.00 179.25 179.97 3h86 h GLU 80 N 0.20 0.00 0.00 0.00 5.08 -1.59 -2.23 114.58 116.04 3h86 h GLU 80 Ca 0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3h86 h GLU 80 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3h86 h GLU 80 CO -0.33 0.02 -0.53 1.98 -1.00 0.00 0.00 179.01 179.15 3h86 h MET 81 N 0.00 0.00 -0.01 2.33 4.05 -0.81 -3.21 114.93 117.27 3h86 h MET 81 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3h86 h MET 81 Cb 0.46 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 3h86 h MET 81 CO 0.00 0.53 -0.30 0.00 0.23 0.00 0.00 176.91 177.37 3h86 n ALA 82 N -2.31 3.18 0.17 0.39 0.00 -0.49 -3.34 120.51 118.11 3h86 n ALA 82 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 53.44 52.91 3h86 n ALA 82 Cb 0.64 -0.94 0.29 0.00 0.00 0.00 0.00 19.45 19.43 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 2.29 0.00 0.00 0.00 1.57 -1.52 -3.38 116.57 115.53 3h86 h LYS 83 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h86 h LYS 83 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3h86 h LYS 83 CO 0.00 0.47 -0.01 0.39 -0.57 0.00 0.00 179.45 179.73 3h86 n GLU 84 N -3.84 2.11 -3.62 3.15 1.02 -1.23 -5.04 120.64 113.19 3h86 n GLU 84 Ca -0.01 -1.28 -0.10 0.00 -0.02 0.00 0.00 57.16 55.75 3h86 n GLU 84 Cb 0.51 -0.88 -0.07 0.00 -0.02 0.00 0.00 31.44 30.98 3h86 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3h86 s SER 85 N -0.82 -0.44 0.37 1.62 0.15 -1.21 -5.15 113.70 108.21 3h86 s SER 85 Ca 0.01 0.78 -0.28 0.00 0.70 0.00 0.00 55.95 57.17 3h86 s SER 85 Cb 0.01 0.77 -0.10 0.00 -1.71 0.00 0.00 66.02 64.99 3h86 s SER 85 CO 0.00 -0.20 1.38 -2.84 1.20 0.00 0.00 173.24 172.78 3h86 s PRO 86 N -0.07 4.17 -0.18 5.44 0.02 -1.26 -4.36 135.00 138.75 3h86 s PRO 86 Ca 0.02 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 3h86 s PRO 86 Cb -0.04 -2.96 0.05 0.00 0.02 0.00 0.00 34.50 31.57 3h86 s PRO 86 CO -0.04 -0.40 -0.01 0.08 -0.33 0.00 0.00 177.00 176.29 3h86 s VAL 87 N -1.15 0.88 -0.96 3.83 1.01 -0.42 0.16 120.40 123.74 3h86 s VAL 87 Ca 0.52 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 3h86 s VAL 87 Cb -0.42 -1.19 0.07 0.00 0.00 0.00 0.00 36.38 34.84 3h86 s VAL 87 CO 0.57 -0.01 1.32 0.00 0.00 0.00 0.00 175.10 176.97 3h86 s ALA 88 N 1.72 2.93 -0.04 5.51 0.00 -1.08 -1.98 121.76 128.82 3h86 s ALA 88 Ca -0.00 -2.35 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 3h86 s ALA 88 Cb -0.16 -4.34 -0.03 0.00 0.00 0.00 0.00 23.12 18.59 3h86 s ALA 88 CO -0.07 -3.37 1.15 0.08 0.00 0.00 0.00 175.76 173.55 3h86 s VAL 89 N 4.28 4.35 -0.54 0.00 1.01 0.13 -3.35 120.40 126.28 3h86 s VAL 89 Ca 0.40 1.67 -0.19 0.00 0.00 0.00 0.00 61.98 63.86 3h86 s VAL 89 Cb -0.03 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.36 3h86 s VAL 89 CO -0.08 0.03 0.63 -0.62 0.00 0.00 0.00 175.10 175.07 3h86 s ASP 90 N 1.31 6.20 0.00 3.32 2.15 0.11 -1.34 116.67 128.42 3h86 s ASP 90 Ca 0.55 -1.16 0.00 0.00 0.43 0.00 0.00 52.55 52.36 3h86 s ASP 90 Cb -0.24 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 3h86 s ASP 90 CO 0.23 -0.95 0.00 1.07 -0.17 0.00 0.00 175.17 175.35 3h86 n THR 91 N 5.54 0.00 -3.90 1.71 5.66 -0.15 -1.44 114.28 121.70 3h86 n THR 91 Ca -0.08 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.80 3h86 n THR 91 Cb 0.44 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.09 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 0.78 0.07 0.06 1.09 3.76 -1.26 -4.00 115.29 115.78 3h86 s HIS 92 Ca 0.00 -0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.57 3h86 s HIS 92 Cb 0.00 -0.05 -0.12 0.00 1.11 0.00 0.00 32.58 33.52 3h86 s HIS 92 CO 0.00 -0.06 1.44 1.03 -0.85 0.00 0.00 174.74 176.30 3h86 h SER 93 N 5.70 0.33 -4.21 1.40 0.87 -1.91 -3.34 113.55 112.39 3h86 h SER 93 Ca -0.26 -0.37 -0.19 0.00 -1.23 0.00 0.00 61.79 59.73 3h86 h SER 93 Cb 1.21 -0.09 -0.25 0.00 -0.44 0.00 0.00 62.40 62.83 3h86 h SER 93 CO 0.48 0.62 -0.63 0.42 -0.53 0.00 0.00 176.83 177.19 3h86 s THR 94 N -4.74 0.04 0.06 2.23 -4.23 -1.26 -1.45 115.64 106.27 3h86 s THR 94 Ca -0.14 -0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 59.90 3h86 s THR 94 Cb 0.06 -0.19 -0.06 0.00 1.34 0.00 0.00 72.50 73.65 3h86 s THR 94 CO 0.73 -0.17 0.50 -0.69 -0.54 0.00 0.00 174.62 174.46 3h86 s VAL 95 N -0.51 4.87 -0.31 2.29 1.01 0.60 -4.94 120.40 123.41 3h86 s VAL 95 Ca -0.06 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.70 3h86 s VAL 95 Cb -0.04 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3h86 s VAL 95 CO 0.00 0.52 0.84 -0.54 0.00 0.00 0.00 175.10 175.93 3h86 s LYS 96 N -1.21 3.98 0.19 2.72 -0.14 -1.26 -2.48 119.74 121.53 3h86 s LYS 96 Ca 0.28 0.68 0.05 0.00 -1.36 0.00 0.00 55.97 55.62 3h86 s LYS 96 Cb -0.18 -3.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.19 3h86 s LYS 96 CO 0.17 -0.72 -0.09 0.95 -0.76 0.00 0.00 175.35 174.90 3h86 s THR 97 N 3.09 1.35 -0.76 2.17 -4.23 -0.61 -4.88 115.64 111.77 3h86 s THR 97 Ca 0.35 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3h86 s THR 97 Cb -0.14 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.68 3h86 s THR 97 CO 0.13 -0.58 1.05 -2.65 -0.54 0.00 0.00 174.62 172.02 3h86 n PRO 98 N -0.33 0.02 -0.41 3.99 -0.02 -1.26 -1.56 135.00 135.43 3h86 n PRO 98 Ca -0.08 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 3h86 n PRO 98 Cb 0.61 -1.63 0.25 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.57 2.99 0.00 -0.52 4.76 -1.26 -5.09 118.16 117.48 3h86 n LYS 99 Ca -0.00 -2.71 0.00 0.00 -2.87 0.00 0.00 58.31 52.73 3h86 n LYS 99 Cb 0.07 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 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 -0.26 -1.36 3.43 0.72 0.00 -0.60 -4.83 105.19 102.29 3h86 n GLY 100 Ca 0.20 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 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 3.10 0.01 1.61 2.02 -1.26 -1.57 117.35 121.26 3h86 s TYR 101 Ca 0.00 -1.27 -0.30 0.00 -0.37 0.00 0.00 57.07 55.13 3h86 s TYR 101 Cb 0.00 -4.21 -0.05 0.00 -0.40 0.00 0.00 41.96 37.31 3h86 s TYR 101 CO 0.00 -1.44 1.21 -1.17 -1.57 0.00 0.00 175.55 172.57 3h86 s LEU 102 N 2.66 4.33 1.29 -1.29 2.96 -1.04 -4.86 118.68 122.73 3h86 s LEU 102 Ca 0.27 1.93 -0.19 0.00 -0.22 0.00 0.00 54.13 55.92 3h86 s LEU 102 Cb -0.10 -3.57 0.30 0.00 0.50 0.00 0.00 46.19 43.32 3h86 s LEU 102 CO -0.04 -0.52 0.68 -2.65 -1.32 0.00 0.00 176.35 172.49 3h86 n PRO 103 N 4.52 -3.63 0.00 0.98 -0.02 -1.26 -0.29 135.00 135.29 3h86 n PRO 103 Ca 0.10 -1.07 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 3h86 n PRO 103 Cb 0.46 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3h86 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h86 n GLY 104 N 1.95 0.62 2.67 -1.23 0.00 -0.53 -4.23 105.19 104.44 3h86 n GLY 104 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.00 -2.75 -4.35 0.99 4.77 -1.26 -4.83 117.00 108.57 3h86 n LEU 105 Ca 0.00 -3.28 -0.29 0.00 -0.03 0.00 0.00 56.01 52.41 3h86 n LEU 105 Cb 0.00 0.72 0.28 0.00 -2.33 0.00 0.00 43.42 42.09 3h86 n LEU 105 CO 0.00 1.93 0.43 -2.65 -1.33 0.00 0.00 177.39 175.77 3h86 n PRO 106 N 2.80 -3.71 -0.11 3.23 -0.02 -1.26 -4.44 135.00 131.49 3h86 n PRO 106 Ca 0.20 -1.08 -0.06 0.00 -2.02 0.00 0.00 63.50 60.54 3h86 n PRO 106 Cb 0.55 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.98 3h86 n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h86 h ALA 107 N -3.19 0.07 -0.00 3.55 0.00 -2.01 0.86 119.26 118.54 3h86 h ALA 107 Ca -0.53 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3h86 h ALA 107 Cb 1.34 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3h86 h ALA 107 CO 0.39 -0.57 0.13 0.11 0.00 0.00 0.00 179.25 179.30 3h86 h TRP 108 N -0.14 0.00 0.05 0.00 0.09 -2.00 -0.72 115.95 113.23 3h86 h TRP 108 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 58.89 58.82 3h86 h TRP 108 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.62 3h86 h TRP 108 CO -0.43 0.00 -2.03 0.28 0.09 0.00 0.00 178.44 176.36 3h86 n VAL 109 N -3.01 1.63 -0.01 0.12 0.31 0.16 -2.90 118.33 114.62 3h86 n VAL 109 Ca -0.03 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.47 3h86 n VAL 109 Cb 0.19 -1.28 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 3h86 n VAL 109 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h86 h LEU 110 N 0.03 0.12 -0.96 7.52 3.38 0.23 -1.53 115.31 124.09 3h86 h LEU 110 Ca -0.42 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.42 3h86 h LEU 110 Cb 2.04 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 42.64 3h86 h LEU 110 CO 0.05 0.31 -0.56 0.41 0.09 0.00 0.00 178.44 178.75 3h86 n THR 111 N -4.90 -0.65 -0.17 0.22 -1.04 -0.53 0.62 114.28 107.82 3h86 n THR 111 Ca -0.06 2.32 -0.09 0.00 -2.04 0.00 0.00 64.05 64.17 3h86 n THR 111 Cb 0.14 -2.87 -0.07 0.00 -1.82 0.00 0.00 70.33 65.71 3h86 n THR 111 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h86 h GLU 112 N 0.00 -0.17 0.02 -2.82 5.08 -1.23 -3.17 114.58 112.28 3h86 h GLU 112 Ca 0.16 0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 3h86 h GLU 112 Cb 0.40 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.71 3h86 h GLU 112 CO -0.90 -0.12 -0.89 -0.07 -1.00 0.00 0.00 179.01 176.03 3h86 h LEU 113 N -0.18 0.75 -2.75 1.33 3.38 -1.20 -3.45 115.31 113.19 3h86 h LEU 113 Ca 0.08 -0.76 -0.32 0.00 0.09 0.00 0.00 57.88 56.97 3h86 h LEU 113 Cb 0.38 -0.23 0.15 0.00 0.09 0.00 0.00 40.66 41.05 3h86 h LEU 113 CO -0.52 1.42 -0.88 -3.20 0.09 0.00 0.00 178.44 175.36 3h86 n ASN 114 N -4.00 -6.18 -4.75 -0.43 5.15 0.20 -4.90 115.26 100.35 3h86 n ASN 114 Ca -0.11 -0.82 -0.32 0.00 -0.60 0.00 0.00 54.58 52.73 3h86 n ASN 114 Cb 0.81 -4.51 0.09 0.00 -0.53 0.00 0.00 39.78 35.64 3h86 n ASN 114 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3h86 s PRO 115 N -4.96 2.25 -0.16 1.20 0.02 -1.26 -4.73 135.00 127.35 3h86 s PRO 115 Ca 0.46 1.34 0.04 0.00 0.02 0.00 0.00 61.00 62.86 3h86 s PRO 115 Cb -0.10 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 3h86 s PRO 115 CO 0.79 -1.67 -0.09 -0.25 -0.33 0.00 0.00 177.00 175.44 3h86 n ASP 116 N -3.20 2.41 -3.93 2.53 8.00 0.38 -4.27 116.55 118.46 3h86 n ASP 116 Ca 0.10 -0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 3h86 n ASP 116 Cb 0.52 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.33 0.55 -0.14 0.53 1.01 -1.23 -0.12 121.20 119.46 3h86 s ILE 117 Ca -0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3h86 s ILE 117 Cb 0.05 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 3h86 s ILE 117 CO 0.43 0.20 -0.08 -0.69 0.00 0.00 0.00 174.94 174.80 3h86 s VAL 118 N 0.51 3.47 -0.03 2.92 1.01 0.10 -1.05 120.40 127.33 3h86 s VAL 118 Ca -0.07 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3h86 s VAL 118 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3h86 s VAL 118 CO 0.00 0.51 -0.21 -0.63 0.00 0.00 0.00 175.10 174.77 3h86 s ILE 119 N 0.35 1.69 -0.18 2.22 1.01 -0.34 0.19 121.20 126.14 3h86 s ILE 119 Ca -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 3h86 s ILE 119 Cb -0.15 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3h86 s ILE 119 CO 0.04 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 3h86 s VAL 120 N -0.30 2.91 -0.13 2.92 1.01 0.11 -0.93 120.40 126.00 3h86 s VAL 120 Ca 0.03 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3h86 s VAL 120 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3h86 s VAL 120 CO 0.01 0.49 0.13 -0.69 0.00 0.00 0.00 175.10 175.04 3h86 s VAL 121 N 1.01 5.43 0.08 2.92 1.01 0.04 0.31 120.40 131.20 3h86 s VAL 121 Ca -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3h86 s VAL 121 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3h86 s VAL 121 CO -0.02 0.59 0.03 -1.61 0.00 0.00 0.00 175.10 174.09 3h86 s GLU 122 N -0.80 0.73 0.02 2.72 2.02 0.54 -4.43 118.70 119.50 3h86 s GLU 122 Ca 0.14 -1.23 -0.28 0.00 0.02 0.00 0.00 54.97 53.61 3h86 s GLU 122 Cb -0.12 0.24 0.10 0.00 0.10 0.00 0.00 34.13 34.46 3h86 s GLU 122 CO 0.03 -0.17 1.23 -0.08 0.02 0.00 0.00 175.26 176.28 3h86 s THR 123 N -3.94 0.00 0.45 3.63 -1.32 -1.26 -1.30 115.64 111.90 3h86 s THR 123 Ca 0.11 -0.29 -0.23 0.00 -1.21 0.00 0.00 61.69 60.06 3h86 s THR 123 Cb 0.07 -2.36 -0.09 0.00 -1.51 0.00 0.00 72.50 68.61 3h86 s THR 123 CO -0.07 0.00 1.05 0.47 -2.21 0.00 0.00 174.62 173.86 3h86 n ASP 124 N -0.73 1.42 0.00 8.08 8.00 -1.26 -4.84 116.55 127.22 3h86 n ASP 124 Ca -0.04 1.01 0.07 0.00 0.71 0.00 0.00 54.79 56.54 3h86 n ASP 124 Cb 0.61 -1.39 0.40 0.00 -0.02 0.00 0.00 41.12 40.72 3h86 n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h86 n GLY 125 N 1.13 -0.69 0.13 0.44 0.00 -1.26 -2.19 105.19 102.76 3h86 n GLY 125 Ca 0.10 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3h86 n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h86 h ASP 126 N 0.00 0.63 -0.45 1.61 3.32 -1.94 -3.12 116.42 116.47 3h86 h ASP 126 Ca 0.00 -0.92 -0.14 0.00 0.02 0.00 0.00 57.03 55.99 3h86 h ASP 126 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3h86 h ASP 126 CO 0.00 1.63 -0.25 -0.33 -1.72 0.00 0.00 179.24 178.57 3h86 h GLU 127 N -0.07 0.97 -0.45 3.56 5.08 -1.83 -2.85 114.58 118.99 3h86 h GLU 127 Ca -0.25 -0.44 -0.13 0.00 -1.00 0.00 0.00 59.36 57.54 3h86 h GLU 127 Cb 1.95 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 3h86 h GLU 127 CO 0.19 1.11 -0.23 0.82 -1.00 0.00 0.00 179.01 179.90 3h86 h ILE 128 N 0.82 1.27 0.00 3.13 2.04 -1.60 -2.32 117.51 120.84 3h86 h ILE 128 Ca 0.10 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3h86 h ILE 128 Cb 0.83 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3h86 h ILE 128 CO 0.07 0.47 -0.15 0.25 0.00 0.00 0.00 178.15 178.80 3h86 h LEU 129 N 0.79 0.00 0.00 1.44 5.85 -1.44 -0.92 115.31 121.04 3h86 h LEU 129 Ca 0.10 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3h86 h LEU 129 Cb 0.79 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 3h86 h LEU 129 CO 0.07 0.15 -1.08 0.24 -0.34 0.00 0.00 178.44 177.48 3h86 h MET 130 N 0.00 0.00 -0.32 1.25 2.86 -1.34 -3.06 114.93 114.33 3h86 h MET 130 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3h86 h MET 130 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3h86 h MET 130 CO 0.02 0.48 -0.20 0.00 1.06 0.00 0.00 176.91 178.27 3h86 h ARG 131 N 0.00 0.69 -0.43 1.72 3.08 -0.66 -0.84 114.38 117.95 3h86 h ARG 131 Ca -0.10 -0.32 0.12 0.00 0.07 0.00 0.00 59.98 59.75 3h86 h ARG 131 Cb 1.58 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.60 3h86 h ARG 131 CO 0.07 0.92 0.31 0.00 -1.07 0.00 0.00 179.97 180.20 3h86 h ARG 132 N 0.45 0.03 0.11 0.04 3.08 -1.34 -2.91 114.38 113.85 3h86 h ARG 132 Ca 0.07 -0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.79 3h86 h ARG 132 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3h86 h ARG 132 CO 0.05 0.02 -1.74 -0.07 -1.07 0.00 0.00 179.97 177.17 3h86 h LEU 133 N 0.03 0.36 -5.71 3.04 3.38 -1.39 -3.37 115.31 111.65 3h86 h LEU 133 Ca 0.20 -0.63 -0.75 0.00 0.09 0.00 0.00 57.88 56.80 3h86 h LEU 133 Cb 0.78 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.21 3h86 h LEU 133 CO -0.01 1.54 1.56 -1.54 0.09 0.00 0.00 178.44 180.08 3h86 n SER 134 N -3.41 7.59 -3.40 -0.43 3.41 -0.34 -4.72 113.62 112.32 3h86 n SER 134 Ca -0.22 -3.42 -0.23 0.00 -0.26 0.00 0.00 58.87 54.73 3h86 n SER 134 Cb 1.05 -1.25 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 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 -0.42 1.99 0.26 4.04 3.68 -1.16 -4.87 116.67 120.18 3h86 s ASP 135 Ca 0.49 -1.97 -0.05 0.00 2.13 0.00 0.00 52.55 53.15 3h86 s ASP 135 Cb 0.23 0.07 0.31 0.00 -1.45 0.00 0.00 42.92 42.08 3h86 s ASP 135 CO -0.15 -0.27 1.92 -0.33 0.13 0.00 0.00 175.17 176.47 3h86 h GLU 136 N 6.91 1.26 0.00 4.34 4.39 -1.93 -2.76 114.58 126.80 3h86 h GLU 136 Ca 0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3h86 h GLU 136 Cb 1.01 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3h86 h GLU 136 CO 0.23 0.83 0.12 -1.13 -1.16 0.00 0.00 179.01 177.91 3h86 n SER 137 N -4.41 0.00 -0.47 1.42 3.41 -1.26 -4.65 113.62 107.67 3h86 n SER 137 Ca 0.12 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3h86 n SER 137 Cb 0.05 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3h86 n SER 137 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h86 n ARG 138 N -1.04 0.32 -2.94 4.33 1.74 -1.04 -5.10 116.66 112.93 3h86 n ARG 138 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3h86 n ARG 138 Cb 0.12 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.56 3h86 n ARG 138 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3h86 n LYS 139 N 0.00 0.75 -1.84 5.56 5.02 -1.26 -5.04 118.16 121.34 3h86 n LYS 139 Ca 0.00 -2.39 -0.31 0.00 -2.02 0.00 0.00 58.31 53.59 3h86 n LYS 139 Cb 0.00 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3h86 n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3h86 s ARG 140 N -0.14 3.30 -0.01 1.97 0.52 -1.26 -4.97 118.95 118.37 3h86 s ARG 140 Ca 0.33 0.68 0.21 0.00 -0.52 0.00 0.00 55.73 56.44 3h86 s ARG 140 Cb 0.20 -2.05 -0.24 0.00 0.52 0.00 0.00 34.95 33.38 3h86 s ARG 140 CO -0.19 -0.77 0.82 -3.47 0.02 0.00 0.00 175.30 171.71 3h86 n ASP 141 N -2.87 0.77 -3.11 0.23 2.03 -1.26 -5.04 116.55 107.29 3h86 n ASP 141 Ca 0.06 -0.76 -0.17 0.00 0.52 0.00 0.00 54.79 54.45 3h86 n ASP 141 Cb 0.55 1.20 0.02 0.00 -0.72 0.00 0.00 41.12 42.17 3h86 n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h86 n LEU 142 N -1.67 -5.49 0.00 -2.67 -0.00 -1.26 -5.01 117.00 100.89 3h86 n LEU 142 Ca 0.02 0.40 -0.11 0.00 -0.00 0.00 0.00 56.01 56.32 3h86 n LEU 142 Cb 0.38 -2.53 0.04 0.00 -0.00 0.00 0.00 43.42 41.31 3h86 n LEU 142 CO 0.43 -1.53 0.22 -0.62 -0.00 0.00 0.00 177.39 175.89 3h86 n GLU 143 N 0.08 0.77 -2.85 1.47 1.02 -1.26 -5.08 120.64 114.78 3h86 n GLU 143 Ca 0.01 -1.84 -0.33 0.00 -0.02 0.00 0.00 57.16 54.99 3h86 n GLU 143 Cb 0.48 -0.14 -0.07 0.00 -0.02 0.00 0.00 31.44 31.69 3h86 n GLU 143 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3h86 s THR 144 N -1.12 4.42 0.17 2.62 -4.23 -1.26 -4.94 115.64 111.30 3h86 s THR 144 Ca 0.36 1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 62.12 3h86 s THR 144 Cb -0.03 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 70.31 3h86 s THR 144 CO 0.23 -0.30 1.64 0.74 -0.54 0.00 0.00 174.62 176.39 3h86 h THR 145 N 1.92 0.45 -0.69 3.99 2.02 -1.98 -1.26 112.91 117.36 3h86 h THR 145 Ca -0.49 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.80 3h86 h THR 145 Cb 1.18 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 3h86 h THR 145 CO 0.62 0.00 0.46 0.00 0.37 0.00 0.00 175.52 176.96 3h86 h ALA 146 N 1.20 1.97 0.00 6.16 0.00 -1.96 -0.17 119.26 126.45 3h86 h ALA 146 Ca 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3h86 h ALA 146 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h86 h ALA 146 CO -0.47 -0.12 -0.45 0.66 0.00 0.00 0.00 179.25 178.86 3h86 h SER 147 N 0.50 0.00 -0.06 0.00 4.64 -1.62 -2.28 113.55 114.73 3h86 h SER 147 Ca 0.32 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 3h86 h SER 147 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3h86 h SER 147 CO -0.10 0.45 -0.10 0.40 -0.87 0.00 0.00 176.83 176.61 3h86 h ILE 148 N 0.00 1.40 0.00 0.95 2.04 -0.66 -2.72 117.51 118.52 3h86 h ILE 148 Ca -0.00 -1.35 -0.03 0.00 1.00 0.00 0.00 64.86 64.47 3h86 h ILE 148 Cb 1.13 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.36 3h86 h ILE 148 CO 0.06 0.37 -0.15 -0.33 0.00 0.00 0.00 178.15 178.10 3h86 h GLU 149 N -0.30 0.00 -0.16 2.37 4.39 -1.45 0.37 114.58 119.81 3h86 h GLU 149 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 3h86 h GLU 149 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3h86 h GLU 149 CO 0.02 0.15 -0.45 1.49 -1.16 0.00 0.00 179.01 179.07 3h86 h GLU 150 N 0.00 0.58 -0.09 2.33 4.81 -1.43 -0.53 114.58 120.25 3h86 h GLU 150 Ca -0.00 -0.41 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3h86 h GLU 150 Cb 0.33 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 3h86 h GLU 150 CO 0.02 1.03 0.05 1.25 -0.73 0.00 0.00 179.01 180.63 3h86 h HIS 151 N 0.22 0.12 0.00 0.92 2.76 -1.08 -1.53 115.15 116.56 3h86 h HIS 151 Ca -0.01 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 3h86 h HIS 151 Cb 1.06 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 3h86 h HIS 151 CO 0.10 0.16 -0.04 1.96 -1.30 0.00 0.00 177.93 178.81 3h86 h GLN 152 N 0.04 0.00 0.24 5.26 4.20 -0.28 0.39 115.11 124.96 3h86 h GLN 152 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3h86 h GLN 152 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3h86 h GLN 152 CO -0.00 0.04 -0.12 0.35 -0.67 0.00 0.00 178.83 178.43 3h86 h PHE 153 N 0.00 -0.30 -0.66 2.96 3.04 -0.79 -3.12 116.94 118.07 3h86 h PHE 153 Ca -0.00 -0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.13 3h86 h PHE 153 Cb 0.17 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 3h86 h PHE 153 CO 0.00 -0.19 0.47 0.52 -2.02 0.00 0.00 178.31 177.09 3h86 h MET 154 N -0.61 0.02 -0.85 1.11 2.86 -1.23 0.15 114.93 116.38 3h86 h MET 154 Ca -0.03 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.67 3h86 h MET 154 Cb 0.25 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 3h86 h MET 154 CO 0.06 0.01 0.53 -0.91 1.06 0.00 0.00 176.91 177.66 3h86 h ASN 155 N 0.02 0.83 -0.29 1.22 4.21 -0.30 0.08 115.58 121.36 3h86 h ASN 155 Ca 0.31 0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.73 3h86 h ASN 155 Cb 1.23 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.26 3h86 h ASN 155 CO -0.01 0.54 -0.24 0.03 -1.29 0.00 0.00 177.43 176.45 3h86 h ARG 156 N 0.97 0.68 -0.40 0.81 3.08 -0.91 0.38 114.38 118.98 3h86 h ARG 156 Ca 0.37 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3h86 h ARG 156 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3h86 h ARG 156 CO -0.17 0.95 -0.15 0.00 -1.07 0.00 0.00 179.97 179.53 3h86 h ALA 157 N 0.72 0.99 -0.03 0.04 0.00 -1.16 0.13 119.26 119.95 3h86 h ALA 157 Ca 0.05 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3h86 h ALA 157 Cb 0.80 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3h86 h ALA 157 CO 0.06 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.68 3h86 h ALA 158 N 1.18 -0.28 0.00 0.00 0.00 -0.86 0.24 119.26 119.54 3h86 h ALA 158 Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3h86 h ALA 158 Cb 0.62 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3h86 h ALA 158 CO 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 179.25 178.15 3h86 h ALA 159 N 0.53 0.93 0.17 0.00 0.00 0.07 -2.19 119.26 118.78 3h86 h ALA 159 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3h86 h ALA 159 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h86 h ALA 159 CO -0.23 0.52 -0.08 1.98 0.00 0.00 0.00 179.25 181.44 3h86 h MET 160 N 0.00 -0.22 -0.68 0.00 -1.53 -0.66 -2.79 114.93 109.05 3h86 h MET 160 Ca -0.00 0.02 0.27 0.00 -3.44 0.00 0.00 59.70 56.54 3h86 h MET 160 Cb 0.99 0.05 -0.12 0.00 -0.55 0.00 0.00 31.60 31.97 3h86 h MET 160 CO 0.05 0.19 0.30 0.43 0.14 0.00 0.00 176.91 178.03 3h86 n SER 161 N -4.97 0.18 -0.03 1.39 7.64 0.85 -0.57 113.62 118.11 3h86 n SER 161 Ca -0.08 1.14 -0.13 0.00 1.01 0.00 0.00 58.87 60.81 3h86 n SER 161 Cb 0.26 -0.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3h86 n SER 161 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3h86 h TYR 162 N 0.00 0.90 -0.40 1.43 0.05 -1.13 -2.72 116.97 115.09 3h86 h TYR 162 Ca 0.55 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3h86 h TYR 162 Cb 1.41 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 3h86 h TYR 162 CO -0.07 1.12 0.26 0.78 -1.05 0.00 0.00 178.16 179.20 3h86 h GLY 163 N 0.87 0.56 1.91 3.88 0.00 -0.68 -2.26 103.07 107.35 3h86 h GLY 163 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3h86 h GLY 163 CO 0.12 0.20 -0.19 -2.08 0.00 0.00 0.00 176.54 174.60 3h86 h VAL 164 N 0.54 1.17 0.00 4.60 2.07 -1.26 0.45 116.25 123.82 3h86 h VAL 164 Ca 0.15 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3h86 h VAL 164 Cb -0.06 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3h86 h VAL 164 CO -0.03 0.24 -0.42 -0.07 0.02 0.00 0.00 177.57 177.30 3h86 h LEU 165 N 0.11 0.00 -0.21 2.57 3.38 -1.36 -3.38 115.31 116.43 3h86 h LEU 165 Ca 0.02 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3h86 h LEU 165 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3h86 h LEU 165 CO 0.03 0.90 0.00 0.71 0.09 0.00 0.00 178.44 180.16 3h86 h THR 166 N -1.00 0.00 0.00 0.22 1.35 -1.51 -3.48 112.91 108.49 3h86 h THR 166 Ca -0.08 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3h86 h THR 166 Cb 0.64 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3h86 h THR 166 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3h86 n GLY 167 N 0.98 0.62 3.49 5.82 0.00 0.16 -4.95 105.19 111.30 3h86 n GLY 167 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 1.00 -1.61 -2.44 4.61 0.00 -1.21 -4.98 120.51 115.88 3h86 n ALA 168 Ca 0.00 -0.38 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 3h86 n ALA 168 Cb 0.04 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 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 -2.11 4.94 -0.46 0.00 -4.23 0.83 -4.55 115.64 110.06 3h86 s THR 169 Ca 0.64 0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 61.87 3h86 s THR 169 Cb -0.29 -3.74 0.09 0.00 1.34 0.00 0.00 72.50 69.90 3h86 s THR 169 CO 0.60 0.45 0.36 -0.69 -0.54 0.00 0.00 174.62 174.79 3h86 s VAL 170 N -1.23 4.74 -0.21 2.29 1.01 -1.26 0.03 120.40 125.77 3h86 s VAL 170 Ca 0.30 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 3h86 s VAL 170 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3h86 s VAL 170 CO 0.17 -0.62 0.16 -0.75 0.00 0.00 0.00 175.10 174.05 3h86 s LYS 171 N 1.52 4.15 -0.09 2.72 2.47 0.13 -5.00 119.74 125.64 3h86 s LYS 171 Ca 0.04 -0.21 -0.01 0.00 -1.56 0.00 0.00 55.97 54.22 3h86 s LYS 171 Cb -0.25 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 3h86 s LYS 171 CO 0.04 0.20 -0.03 0.42 0.16 0.00 0.00 175.35 176.13 3h86 s ILE 172 N 0.66 3.99 -0.11 5.43 1.01 -1.26 0.10 121.20 131.02 3h86 s ILE 172 Ca 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 3h86 s ILE 172 Cb -0.12 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.71 3h86 s ILE 172 CO 0.01 0.58 0.27 -0.69 0.00 0.00 0.00 174.94 175.11 3h86 s VAL 173 N -0.61 -0.01 -0.08 2.92 1.01 0.15 -4.91 120.40 118.87 3h86 s VAL 173 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3h86 s VAL 173 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3h86 s VAL 173 CO 0.02 0.02 -0.03 -0.54 0.00 0.00 0.00 175.10 174.57 3h86 s LYS 174 N 0.49 2.88 -0.40 2.72 -0.14 -1.26 -0.34 119.74 123.69 3h86 s LYS 174 Ca -0.03 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 3h86 s LYS 174 Cb -0.04 -2.71 0.13 0.00 -1.68 0.00 0.00 37.83 33.52 3h86 s LYS 174 CO -0.03 0.69 0.20 1.21 -0.76 0.00 0.00 175.35 176.66 3h86 s ASN 175 N -0.86 3.75 0.84 2.83 2.47 -0.42 -4.23 114.94 119.32 3h86 s ASN 175 Ca 0.13 -2.36 -0.11 0.00 0.42 0.00 0.00 52.86 50.94 3h86 s ASN 175 Cb -0.11 -0.99 0.13 0.00 -1.45 0.00 0.00 41.25 38.84 3h86 s ASN 175 CO 0.02 -0.31 1.18 -0.54 -3.72 0.00 0.00 177.10 173.73 3h86 s LYS 176 N 0.71 1.39 0.29 0.43 1.02 -1.26 -4.67 119.74 117.65 3h86 s LYS 176 Ca 0.16 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 3h86 s LYS 176 Cb -0.23 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 34.98 3h86 s LYS 176 CO -0.06 -1.86 1.37 -0.80 -0.92 0.00 0.00 175.35 173.09 3h86 s ASN 177 N -4.72 6.71 0.00 2.83 0.02 -1.26 -2.38 114.94 116.13 3h86 s ASN 177 Ca 0.67 2.67 0.00 0.00 -1.02 0.00 0.00 52.86 55.18 3h86 s ASN 177 Cb -0.07 -2.64 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3h86 s ASN 177 CO 0.49 -0.62 0.00 0.61 0.02 0.00 0.00 177.10 177.60 3h86 n GLY 178 N 1.53 0.44 2.42 0.66 0.00 -1.26 -4.81 105.19 104.17 3h86 n GLY 178 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 5.84 0.16 0.99 4.77 -1.00 -4.70 117.00 123.05 3h86 n LEU 179 Ca 0.00 -4.86 0.04 0.00 -0.03 0.00 0.00 56.01 51.16 3h86 n LEU 179 Cb 0.00 -0.64 0.46 0.00 -2.33 0.00 0.00 43.42 40.91 3h86 n LEU 179 CO 0.00 1.98 0.95 0.58 -1.33 0.00 0.00 177.39 179.57 3h86 h VAL 180 N 2.09 1.13 -0.00 4.08 2.07 -1.88 -2.14 116.25 121.60 3h86 h VAL 180 Ca 0.43 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3h86 h VAL 180 Cb 0.89 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3h86 h VAL 180 CO 1.07 0.17 -0.16 0.47 0.02 0.00 0.00 177.57 179.15 3h86 n ASP 181 N -4.35 0.21 -0.01 0.57 9.92 -1.26 -3.00 116.55 118.64 3h86 n ASP 181 Ca -0.01 0.09 -0.15 0.00 -0.53 0.00 0.00 54.79 54.19 3h86 n ASP 181 Cb 0.21 -0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3h86 n ASP 181 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3h86 h ASN 182 N 0.08 0.82 0.01 -2.24 4.21 -1.74 -3.00 115.58 113.72 3h86 h ASN 182 Ca 0.00 -0.53 -0.00 0.00 1.21 0.00 0.00 56.30 56.98 3h86 h ASN 182 Cb 0.47 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 3h86 h ASN 182 CO 0.00 1.31 -0.01 0.00 -1.29 0.00 0.00 177.43 177.45 3h86 h ALA 183 N 0.67 -0.01 -0.51 -0.83 0.00 -1.68 -1.76 119.26 115.14 3h86 h ALA 183 Ca -0.04 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3h86 h ALA 183 Cb 1.36 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3h86 h ALA 183 CO 0.15 -0.32 -0.18 0.28 0.00 0.00 0.00 179.25 179.17 3h86 h VAL 184 N -0.38 0.40 0.00 0.00 2.07 -1.59 0.17 116.25 116.92 3h86 h VAL 184 Ca -0.00 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.25 3h86 h VAL 184 Cb 0.37 0.40 0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3h86 h VAL 184 CO 0.00 0.00 -1.04 -0.08 0.02 0.00 0.00 177.57 176.47 3h86 h GLU 185 N -0.06 0.70 -0.13 1.57 4.57 -1.55 -1.85 114.58 117.83 3h86 h GLU 185 Ca 0.24 -0.76 -0.07 0.00 -1.18 0.00 0.00 59.36 57.60 3h86 h GLU 185 Cb 0.43 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3h86 h GLU 185 CO -0.56 1.33 -0.23 1.49 -1.18 0.00 0.00 179.01 179.86 3h86 h GLU 186 N 0.39 0.22 -0.45 1.92 4.81 -0.92 -1.62 114.58 118.93 3h86 h GLU 186 Ca -0.13 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 58.94 3h86 h GLU 186 Cb 1.70 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 3h86 h GLU 186 CO 0.21 0.45 -0.07 1.25 -0.73 0.00 0.00 179.01 180.11 3h86 h LEU 187 N 0.21 0.84 -0.23 1.64 6.46 -0.36 -3.16 115.31 120.71 3h86 h LEU 187 Ca 0.03 -0.35 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 3h86 h LEU 187 Cb 0.53 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3h86 h LEU 187 CO 0.04 0.99 -0.13 0.24 -0.62 0.00 0.00 178.44 178.96 3h86 h MET 188 N 0.68 0.50 -0.30 1.25 2.86 -1.13 1.33 114.93 120.12 3h86 h MET 188 Ca 0.12 -0.22 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 3h86 h MET 188 Cb 0.60 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 3h86 h MET 188 CO 0.04 0.78 0.40 0.77 1.06 0.00 0.00 176.91 179.96 3h86 h SER 189 N 0.20 0.00 0.00 1.22 0.02 -1.31 0.62 113.55 114.31 3h86 h SER 189 Ca 0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3h86 h SER 189 Cb 0.64 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3h86 h SER 189 CO 0.04 0.00 -1.45 0.55 -1.14 0.00 0.00 176.83 174.83 3h86 n VAL 190 N -3.53 0.10 -0.15 2.27 3.14 -1.03 -4.59 118.33 114.53 3h86 n VAL 190 Ca 0.05 -0.23 -0.11 0.00 -2.96 0.00 0.00 64.34 61.09 3h86 n VAL 190 Cb 0.54 0.12 -0.01 0.00 -1.06 0.00 0.00 33.84 33.43 3h86 n VAL 190 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3h86 h LEU 191 N 0.00 0.86 0.00 6.55 6.46 0.58 -3.51 115.31 126.24 3h86 h LEU 191 Ca -0.04 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 3h86 h LEU 191 Cb 0.60 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 3h86 h LEU 191 CO 0.00 1.01 0.00 -1.14 -0.62 0.00 0.00 178.44 177.69