#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h83 s ASN -7 N 0.00 4.52 -0.05 4.31 0.01 -1.26 -5.11 114.94 117.36 3h83 s ASN -7 Ca 0.00 -0.21 0.05 0.00 -0.71 0.00 0.00 52.86 51.99 3h83 s ASN -7 Cb 0.00 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 3h83 s ASN -7 CO 0.00 0.15 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.76 3h83 s LEU -6 N 0.46 2.01 -0.08 0.60 1.43 -1.26 -5.13 118.68 116.71 3h83 s LEU -6 Ca -0.05 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3h83 s LEU -6 Cb -0.15 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.86 3h83 s LEU -6 CO 0.03 0.21 -0.19 -0.47 0.23 0.00 0.00 176.35 176.17 3h83 s TYR -5 N -0.09 2.06 -0.26 0.29 5.04 -1.26 -5.11 117.35 118.03 3h83 s TYR -5 Ca -0.04 -0.81 -0.00 0.00 -2.44 0.00 0.00 57.07 53.78 3h83 s TYR -5 Cb -0.13 -1.42 0.08 0.00 0.35 0.00 0.00 41.96 40.84 3h83 s TYR -5 CO 0.03 -0.35 0.02 -0.06 -1.34 0.00 0.00 175.55 173.85 3h83 s PHE -4 N 0.47 1.98 -0.04 4.97 0.08 -1.26 -4.92 117.98 119.26 3h83 s PHE -4 Ca -0.17 -1.65 0.05 0.00 0.12 0.00 0.00 56.93 55.29 3h83 s PHE -4 Cb -0.17 -1.61 -0.08 0.00 -0.57 0.00 0.00 43.02 40.60 3h83 s PHE -4 CO 0.07 -0.78 0.05 0.94 -0.10 0.00 0.00 175.22 175.40 3h83 n GLN -3 N 4.78 2.18 0.00 0.44 7.27 -1.26 -5.06 117.38 125.72 3h83 n GLN -3 Ca -0.07 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 56.98 3h83 n GLN -3 Cb 0.44 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 31.95 3h83 n GLN -3 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3h83 n SER -2 N -2.05 0.00 -1.83 1.69 2.88 -1.26 -0.47 113.62 112.58 3h83 n SER -2 Ca -0.07 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.53 3h83 n SER -2 Cb 0.52 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.36 3h83 n SER -2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3h83 n ASN -1 N 2.75 5.50 -4.69 -3.46 3.02 -1.26 -5.00 115.26 112.12 3h83 n ASN -1 Ca 0.00 -2.98 -0.44 0.00 -0.03 0.00 0.00 54.58 51.13 3h83 n ASN -1 Cb 0.00 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.47 3h83 n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h83 n ALA 0 N 0.43 1.28 -2.52 5.41 0.00 0.38 -5.03 120.51 120.47 3h83 n ALA 0 Ca 0.29 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.88 3h83 n ALA 0 Cb 1.20 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.24 3h83 n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h83 s MET 1 N -0.93 1.26 0.38 0.00 -1.94 -1.26 -5.04 119.30 111.76 3h83 s MET 1 Ca 0.63 -1.00 0.09 0.00 -1.71 0.00 0.00 55.69 53.70 3h83 s MET 1 Cb -0.61 -1.42 0.84 0.00 2.01 0.00 0.00 34.83 35.66 3h83 s MET 1 CO 0.54 0.35 1.92 0.52 -0.01 0.00 0.00 175.02 178.34 3h83 h MET 2 N 4.60 0.63 0.00 2.03 2.86 -2.01 -1.59 114.93 121.45 3h83 h MET 2 Ca -0.43 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3h83 h MET 2 Cb 1.17 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 3h83 h MET 2 CO 0.42 0.42 -0.02 -2.95 1.06 0.00 0.00 176.91 175.84 3h83 h ASN 3 N 0.65 0.00 1.16 1.22 -1.07 -1.96 -0.10 115.58 115.48 3h83 h ASN 3 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.74 3h83 h ASN 3 Cb 0.56 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.81 3h83 h ASN 3 CO -0.14 0.02 0.00 1.56 0.07 0.00 0.00 177.43 178.94 3h83 h GLN 4 N 0.00 0.00 -0.01 4.14 4.20 -1.71 -2.13 115.11 119.60 3h83 h GLN 4 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h83 h GLN 4 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3h83 h GLN 4 CO 0.00 0.00 -0.34 -0.25 -0.67 0.00 0.00 178.83 177.58 3h83 n ASP 5 N -2.97 0.93 -4.55 1.46 8.00 -0.05 -4.86 116.55 114.51 3h83 n ASP 5 Ca 0.01 -0.76 -0.37 0.00 0.71 0.00 0.00 54.79 54.39 3h83 n ASP 5 Cb 0.34 0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 3h83 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h83 s ILE 6 N -2.63 4.91 -0.01 0.53 -1.09 -0.80 -0.73 121.20 121.37 3h83 s ILE 6 Ca 0.21 0.03 -0.24 0.00 -2.23 0.00 0.00 60.65 58.42 3h83 s ILE 6 Cb 0.19 -3.31 -0.19 0.00 -1.58 0.00 0.00 42.46 37.57 3h83 s ILE 6 CO 0.57 0.31 1.24 -0.08 -1.23 0.00 0.00 174.94 175.76 3h83 h GLU 7 N 8.07 0.15 -2.76 2.79 4.81 -1.13 -3.45 114.58 123.06 3h83 h GLU 7 Ca -0.37 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 3h83 h GLU 7 Cb 1.18 0.01 -0.17 0.00 0.63 0.00 0.00 28.75 30.40 3h83 h GLU 7 CO 0.59 0.66 -0.01 -1.59 -0.73 0.00 0.00 179.01 177.92 3h83 s LYS 8 N -4.05 0.96 -0.35 1.92 -2.85 -1.19 -5.01 119.74 109.18 3h83 s LYS 8 Ca -0.15 -0.19 -0.25 0.00 -1.00 0.00 0.00 55.97 54.37 3h83 s LYS 8 Cb 0.03 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.25 3h83 s LYS 8 CO 0.71 -0.33 0.89 0.08 0.10 0.00 0.00 175.35 176.81 3h83 s VAL 9 N -2.14 4.64 -0.10 1.79 1.01 -1.26 -1.30 120.40 123.04 3h83 s VAL 9 Ca -0.07 1.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.87 3h83 s VAL 9 Cb -0.01 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.80 3h83 s VAL 9 CO 0.01 -0.46 0.78 0.25 0.00 0.00 0.00 175.10 175.68 3h83 h LEU 10 N 9.90 0.23 -7.36 3.92 5.85 -1.33 -3.44 115.31 123.08 3h83 h LEU 10 Ca -0.23 -0.95 -0.53 0.00 0.84 0.00 0.00 57.88 57.01 3h83 h LEU 10 Cb 1.08 -0.07 -0.39 0.00 0.37 0.00 0.00 40.66 41.64 3h83 h LEU 10 CO 0.96 1.24 -0.77 -0.63 -0.34 0.00 0.00 178.44 178.90 3h83 s ILE 11 N -2.33 0.73 0.80 4.05 1.01 -0.65 -5.03 121.20 119.78 3h83 s ILE 11 Ca -0.17 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 3h83 s ILE 11 Cb -0.00 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.36 3h83 s ILE 11 CO 0.75 -0.17 1.09 -0.94 0.00 0.00 0.00 174.94 175.68 3h83 s SER 12 N 1.77 4.47 0.28 3.58 1.04 -1.26 -0.94 113.70 122.64 3h83 s SER 12 Ca -0.02 1.34 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 3h83 s SER 12 Cb -0.17 -2.08 0.38 0.00 0.10 0.00 0.00 66.02 64.25 3h83 s SER 12 CO -0.08 -1.99 1.94 -0.08 0.98 0.00 0.00 173.24 174.02 3h83 h GLU 13 N -1.10 1.17 -0.42 4.02 4.81 -1.96 -0.41 114.58 120.70 3h83 h GLU 13 Ca -0.47 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 3h83 h GLU 13 Cb 1.27 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3h83 h GLU 13 CO 0.59 0.78 0.16 1.49 -0.73 0.00 0.00 179.01 181.29 3h83 h GLU 14 N 1.21 0.63 -0.47 1.92 4.81 -1.92 -0.04 114.58 120.72 3h83 h GLU 14 Ca 0.35 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3h83 h GLU 14 Cb -0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3h83 h GLU 14 CO -0.09 0.60 0.29 1.96 -0.73 0.00 0.00 179.01 181.04 3h83 h GLN 15 N 0.53 0.63 -0.65 1.92 4.20 -1.80 -1.98 115.11 117.96 3h83 h GLN 15 Ca 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3h83 h GLN 15 Cb 0.21 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 3h83 h GLN 15 CO -0.01 0.46 0.38 0.82 -0.67 0.00 0.00 178.83 179.80 3h83 h ILE 16 N 0.62 1.20 -0.22 2.54 2.04 -0.82 -2.56 117.51 120.32 3h83 h ILE 16 Ca 0.17 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 3h83 h ILE 16 Cb -0.02 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3h83 h ILE 16 CO -0.03 0.21 -0.36 1.56 0.00 0.00 0.00 178.15 179.53 3h83 h GLN 17 N 0.89 0.49 -0.52 2.37 1.08 -0.76 -0.07 115.11 118.59 3h83 h GLN 17 Ca 0.23 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3h83 h GLN 17 Cb 0.01 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3h83 h GLN 17 CO -0.04 0.78 -0.01 1.49 -0.95 0.00 0.00 178.83 180.11 3h83 h GLU 18 N 0.41 0.92 -0.31 1.46 4.57 -1.26 -1.69 114.58 118.69 3h83 h GLU 18 Ca 0.04 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.81 3h83 h GLU 18 Cb 0.82 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3h83 h GLU 18 CO 0.07 0.95 -0.26 -0.22 -1.18 0.00 0.00 179.01 178.37 3h83 h LYS 19 N 0.79 0.71 -0.78 1.92 1.63 -1.22 -2.17 116.57 117.46 3h83 h LYS 19 Ca 0.15 -0.36 0.02 0.00 -0.85 0.00 0.00 60.65 59.61 3h83 h LYS 19 Cb 0.53 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 3h83 h LYS 19 CO 0.03 0.97 0.51 0.28 -3.45 0.00 0.00 179.45 177.80 3h83 h VAL 20 N 0.47 1.15 -0.50 2.00 2.07 -0.94 -0.38 116.25 120.12 3h83 h VAL 20 Ca 0.05 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3h83 h VAL 20 Cb 0.82 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3h83 h VAL 20 CO 0.07 0.18 0.02 0.25 0.02 0.00 0.00 177.57 178.10 3h83 h LEU 21 N 0.99 0.86 -0.23 2.57 6.46 -1.07 -0.68 115.31 124.21 3h83 h LEU 21 Ca 0.30 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3h83 h LEU 21 Cb -0.02 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 3h83 h LEU 21 CO -0.08 0.95 0.07 -0.08 -0.62 0.00 0.00 178.44 178.68 3h83 h GLU 22 N 0.75 0.37 -0.72 1.25 4.81 -0.92 -2.30 114.58 117.81 3h83 h GLU 22 Ca 0.14 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3h83 h GLU 22 Cb 0.50 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3h83 h GLU 22 CO 0.02 0.45 0.30 -0.07 -0.73 0.00 0.00 179.01 178.98 3h83 h LEU 23 N 0.21 0.98 -0.79 1.64 3.38 -0.94 -1.50 115.31 118.28 3h83 h LEU 23 Ca 0.08 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3h83 h LEU 23 Cb 0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3h83 h LEU 23 CO -0.00 0.87 0.50 1.23 0.09 0.00 0.00 178.44 181.13 3h83 h GLY 24 N 1.02 1.15 0.96 0.83 0.00 -0.99 -0.15 103.07 105.89 3h83 h GLY 24 Ca 0.24 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3h83 h GLY 24 CO -0.02 0.32 -0.04 0.00 0.00 0.00 0.00 176.54 176.79 3h83 h ALA 25 N 1.33 0.55 -0.48 3.60 0.00 -1.06 -1.22 119.26 121.98 3h83 h ALA 25 Ca 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3h83 h ALA 25 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h83 h ALA 25 CO -0.12 0.37 0.14 0.82 0.00 0.00 0.00 179.25 180.47 3h83 h ILE 26 N 0.57 1.23 -0.53 0.00 2.04 -0.99 -2.19 117.51 117.64 3h83 h ILE 26 Ca 0.11 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3h83 h ILE 26 Cb 0.55 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3h83 h ILE 26 CO 0.03 0.28 0.07 0.40 0.00 0.00 0.00 178.15 178.93 3h83 h ILE 27 N 0.65 1.26 -1.00 -0.67 2.04 -1.01 -0.13 117.51 118.64 3h83 h ILE 27 Ca 0.15 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.07 3h83 h ILE 27 Cb 0.29 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3h83 h ILE 27 CO -0.00 0.35 0.66 0.00 0.00 0.00 0.00 178.15 179.16 3h83 h ALA 28 N 0.98 1.34 -0.05 1.87 0.00 -1.13 0.16 119.26 122.43 3h83 h ALA 28 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h83 h ALA 28 Cb 0.43 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h83 h ALA 28 CO 0.01 0.56 -0.10 1.49 0.00 0.00 0.00 179.25 181.21 3h83 h GLU 29 N 1.27 0.16 -0.38 0.00 4.57 -1.10 -2.49 114.58 116.60 3h83 h GLU 29 Ca 0.40 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 58.52 3h83 h GLU 29 Cb 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3h83 h GLU 29 CO -0.13 0.67 0.26 -0.44 -1.18 0.00 0.00 179.01 178.20 3h83 h ASP 30 N -0.34 0.31 -0.52 1.04 3.32 -0.70 -2.91 116.42 116.63 3h83 h ASP 30 Ca 0.00 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3h83 h ASP 30 Cb 0.66 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 3h83 h ASP 30 CO 0.02 0.21 0.10 -1.22 -1.72 0.00 0.00 179.24 176.63 3h83 n TYR 31 N -4.48 1.77 -0.30 4.55 4.01 0.54 -4.71 117.16 118.54 3h83 n TYR 31 Ca 0.04 -1.05 0.13 0.00 -0.16 0.00 0.00 57.90 56.86 3h83 n TYR 31 Cb 0.19 -0.52 0.29 0.00 -0.31 0.00 0.00 39.34 38.99 3h83 n TYR 31 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3h83 h LYS 32 N 2.49 0.19 -1.31 -0.72 1.57 -1.23 -2.84 116.57 114.71 3h83 h LYS 32 Ca 0.12 -0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.25 3h83 h LYS 32 Cb 1.92 -0.04 -0.36 0.00 0.08 0.00 0.00 32.23 33.83 3h83 h LYS 32 CO 0.49 0.12 0.01 -1.71 -0.57 0.00 0.00 179.45 177.80 3h83 n ASN 33 N -5.24 6.08 -3.50 0.86 5.15 -1.26 -4.97 115.26 112.38 3h83 n ASN 33 Ca 0.22 -3.77 -0.09 0.00 -0.60 0.00 0.00 54.58 50.34 3h83 n ASN 33 Cb 0.69 -0.68 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 3h83 n ASN 33 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3h83 s THR 34 N -5.03 0.00 -0.38 -0.44 -1.32 -1.07 -5.10 115.64 102.30 3h83 s THR 34 Ca 0.53 -0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 60.97 3h83 s THR 34 Cb 0.44 -1.02 0.09 0.00 -1.51 0.00 0.00 72.50 70.50 3h83 s THR 34 CO -0.14 0.00 0.15 0.68 -2.21 0.00 0.00 174.62 173.10 3h83 s VAL 35 N -3.20 3.20 0.78 5.08 -7.23 -1.26 -4.83 120.40 112.94 3h83 s VAL 35 Ca 0.05 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3h83 s VAL 35 Cb -0.01 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.87 3h83 s VAL 35 CO -0.09 -0.55 1.08 -2.16 -0.31 0.00 0.00 175.10 173.08 3h83 s PRO 36 N 1.16 2.21 -0.41 4.82 0.04 -1.26 -4.72 135.00 136.84 3h83 s PRO 36 Ca 0.05 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 3h83 s PRO 36 Cb -0.22 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3h83 s PRO 36 CO -0.03 -1.59 0.27 -1.17 0.04 0.00 0.00 177.00 174.52 3h83 s LEU 37 N -5.82 5.10 -0.22 -3.56 2.96 -0.27 -1.45 118.68 115.42 3h83 s LEU 37 Ca 0.61 -1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.07 3h83 s LEU 37 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3h83 s LEU 37 CO 0.55 -0.50 0.63 0.00 -1.32 0.00 0.00 176.35 175.71 3h83 s ALA 38 N 1.54 3.58 -0.09 5.97 0.00 0.54 -1.17 121.76 132.13 3h83 s ALA 38 Ca 0.03 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3h83 s ALA 38 Cb -0.22 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3h83 s ALA 38 CO 0.05 -0.67 -0.22 0.42 0.00 0.00 0.00 175.76 175.34 3h83 s ILE 39 N 2.18 1.91 -0.08 0.00 1.01 0.24 -0.60 121.20 125.86 3h83 s ILE 39 Ca 0.27 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3h83 s ILE 39 Cb -0.16 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3h83 s ILE 39 CO 0.09 0.53 -0.09 -0.83 0.00 0.00 0.00 174.94 174.64 3h83 s GLY 40 N 0.32 1.64 -0.26 6.18 0.00 -0.75 -0.42 107.32 114.03 3h83 s GLY 40 Ca -0.16 -0.91 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 3h83 s GLY 40 CO 0.07 -0.60 0.46 -1.34 0.00 0.00 0.00 173.10 171.69 3h83 s VAL 41 N -0.59 5.12 0.56 1.40 -7.23 -1.25 -1.21 120.40 117.19 3h83 s VAL 41 Ca 0.09 0.76 -0.20 0.00 -1.81 0.00 0.00 61.98 60.82 3h83 s VAL 41 Cb -0.12 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 3h83 s VAL 41 CO 0.02 0.13 1.21 -0.76 -0.31 0.00 0.00 175.10 175.38 3h83 s LEU 42 N 2.13 3.76 -0.10 1.32 1.43 -0.32 -3.72 118.68 123.18 3h83 s LEU 42 Ca 0.19 2.39 0.14 0.00 -1.03 0.00 0.00 54.13 55.82 3h83 s LEU 42 Cb -0.16 -4.49 -0.20 0.00 0.03 0.00 0.00 46.19 41.37 3h83 s LEU 42 CO 0.09 -1.42 0.15 0.29 0.23 0.00 0.00 176.35 175.69 3h83 n LYS 43 N -1.29 1.23 0.27 1.70 5.02 -1.26 -4.78 118.16 119.06 3h83 n LYS 43 Ca 0.12 -0.05 0.14 0.00 -2.02 0.00 0.00 58.31 56.50 3h83 n LYS 43 Cb 0.49 -1.38 0.77 0.00 -0.02 0.00 0.00 35.03 34.89 3h83 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3h83 h GLY 44 N 2.90 0.00 2.00 0.72 0.00 -1.75 -2.86 103.07 104.08 3h83 h GLY 44 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3h83 h GLY 44 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3h83 h ALA 45 N 1.91 1.00 -0.45 3.60 0.00 -1.86 -3.39 119.26 120.06 3h83 h ALA 45 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3h83 h ALA 45 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h83 h ALA 45 CO 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.20 3h83 h MET 46 N 0.00 0.84 -0.41 0.00 -0.00 -1.79 -0.61 114.93 112.96 3h83 h MET 46 Ca 0.00 -0.30 0.02 0.00 -0.00 0.00 0.00 59.70 59.42 3h83 h MET 46 Cb 0.66 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 32.18 3h83 h MET 46 CO 0.00 0.93 0.24 -1.35 -0.00 0.00 0.00 176.91 176.73 3h83 h PRO 47 N 0.68 0.47 -0.33 -0.10 0.11 -1.84 -1.35 132.00 129.64 3h83 h PRO 47 Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3h83 h PRO 47 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3h83 h PRO 47 CO 0.04 0.31 0.15 0.35 -0.21 0.00 0.00 178.00 178.64 3h83 h PHE 48 N 0.48 0.47 -0.67 0.65 3.57 -1.77 -2.45 116.94 117.22 3h83 h PHE 48 Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 3h83 h PHE 48 Cb 0.01 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 3h83 h PHE 48 CO -0.07 0.42 0.38 1.98 -2.23 0.00 0.00 178.31 178.79 3h83 h MET 49 N 0.39 0.69 -0.21 1.11 4.05 -0.92 0.22 114.93 120.27 3h83 h MET 49 Ca 0.11 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3h83 h MET 49 Cb 0.13 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 3h83 h MET 49 CO -0.01 0.46 0.14 0.00 0.23 0.00 0.00 176.91 177.72 3h83 h ALA 50 N 1.34 0.26 -0.31 0.39 0.00 -1.16 -0.79 119.26 119.00 3h83 h ALA 50 Ca 0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3h83 h ALA 50 Cb 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h83 h ALA 50 CO -0.17 -0.26 -0.38 -0.44 0.00 0.00 0.00 179.25 178.00 3h83 h ASP 51 N 0.28 0.86 0.02 0.00 3.32 -1.09 -2.58 116.42 117.24 3h83 h ASP 51 Ca 0.08 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 3h83 h ASP 51 Cb -0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3h83 h ASP 51 CO -0.02 1.18 -0.01 0.25 -1.72 0.00 0.00 179.24 178.92 3h83 h LEU 52 N 0.56 -0.03 -1.21 1.55 5.85 -0.51 -3.08 115.31 118.45 3h83 h LEU 52 Ca 0.04 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3h83 h LEU 52 Cb 0.97 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3h83 h LEU 52 CO 0.09 0.08 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.00 3h83 h LEU 53 N -0.13 0.28 -2.28 2.25 3.38 -1.16 -1.29 115.31 116.36 3h83 h LEU 53 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h83 h LEU 53 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3h83 h LEU 53 CO 0.01 0.50 -0.02 0.11 0.09 0.00 0.00 178.44 179.13 3h83 h LYS 54 N 0.27 0.00 -0.69 1.13 1.57 -1.42 -1.35 116.57 116.08 3h83 h LYS 54 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3h83 h LYS 54 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3h83 h LYS 54 CO 0.03 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.48 3h83 n ARG 55 N -3.99 2.69 -3.70 3.15 5.12 -0.52 -4.78 116.66 114.64 3h83 n ARG 55 Ca -0.03 -2.62 -0.38 0.00 -1.93 0.00 0.00 57.85 52.89 3h83 n ARG 55 Cb 0.11 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 29.74 3h83 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3h83 s THR 56 N -1.08 3.70 -1.37 0.55 2.01 -0.51 -3.69 115.64 115.25 3h83 s THR 56 Ca 0.48 -2.37 -0.13 0.00 0.31 0.00 0.00 61.69 59.98 3h83 s THR 56 Cb 0.25 -3.46 0.09 0.00 0.01 0.00 0.00 72.50 69.39 3h83 s THR 56 CO 0.34 -0.79 1.99 -0.67 -0.69 0.00 0.00 174.62 174.80 3h83 n ASP 57 N 4.20 4.48 -3.60 3.53 2.03 -1.26 -4.86 116.55 121.07 3h83 n ASP 57 Ca 0.01 -2.94 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 3h83 n ASP 57 Cb 0.40 -1.62 -0.03 0.00 -0.72 0.00 0.00 41.12 39.15 3h83 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3h83 s THR 58 N 2.49 0.03 0.27 5.18 -1.32 -1.26 -4.96 115.64 116.07 3h83 s THR 58 Ca 0.46 -0.46 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 3h83 s THR 58 Cb 0.10 -1.26 -0.10 0.00 -1.51 0.00 0.00 72.50 69.73 3h83 s THR 58 CO -0.03 -0.15 1.34 -0.31 -2.21 0.00 0.00 174.62 173.27 3h83 s TYR 59 N -3.81 3.12 -0.01 9.09 2.02 -1.26 -5.00 117.35 121.50 3h83 s TYR 59 Ca 0.04 1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 57.70 3h83 s TYR 59 Cb -0.00 -3.69 0.10 0.00 -0.40 0.00 0.00 41.96 37.97 3h83 s TYR 59 CO -0.09 -2.06 0.96 -0.48 -1.57 0.00 0.00 175.55 172.31 3h83 s LEU 60 N -0.88 -0.29 0.18 -1.29 0.05 -1.26 -4.16 118.68 111.03 3h83 s LEU 60 Ca 0.54 -0.07 0.09 0.00 0.05 0.00 0.00 54.13 54.74 3h83 s LEU 60 Cb -0.39 1.92 -0.04 0.00 -2.05 0.00 0.00 46.19 45.63 3h83 s LEU 60 CO 0.45 -0.60 -0.13 -1.61 -0.55 0.00 0.00 176.35 173.92 3h83 s GLU 61 N -3.01 1.94 0.05 1.48 2.02 -0.53 -4.99 118.70 115.66 3h83 s GLU 61 Ca 0.07 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 53.82 3h83 s GLU 61 Cb -0.01 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 3h83 s GLU 61 CO -0.06 0.43 -0.15 -1.64 0.02 0.00 0.00 175.26 173.86 3h83 s MET 62 N -2.75 2.13 0.26 1.61 -1.94 -1.26 -0.34 119.30 117.02 3h83 s MET 62 Ca 0.24 -0.97 -0.16 0.00 -1.71 0.00 0.00 55.69 53.09 3h83 s MET 62 Cb -0.09 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.50 3h83 s MET 62 CO 0.14 0.54 0.57 0.34 -0.01 0.00 0.00 175.02 176.59 3h83 s ASP 63 N -1.65 -0.16 0.01 3.03 -1.08 0.23 -4.92 116.67 112.14 3h83 s ASP 63 Ca 0.17 -0.80 -0.03 0.00 -0.52 0.00 0.00 52.55 51.37 3h83 s ASP 63 Cb -0.11 0.64 -0.01 0.00 -1.46 0.00 0.00 42.92 41.98 3h83 s ASP 63 CO 0.08 -1.21 0.04 -0.36 0.52 0.00 0.00 175.17 174.23 3h83 s PHE 64 N -3.98 0.14 0.10 -5.34 0.08 -1.26 -1.80 117.98 105.92 3h83 s PHE 64 Ca 0.18 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.99 3h83 s PHE 64 Cb -0.03 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 3h83 s PHE 64 CO 0.08 -0.20 -0.15 -1.64 -0.10 0.00 0.00 175.22 173.21 3h83 s MET 65 N -1.22 0.96 -0.02 0.44 -1.94 -0.35 -4.33 119.30 112.84 3h83 s MET 65 Ca -0.13 -1.12 0.04 0.00 -1.71 0.00 0.00 55.69 52.77 3h83 s MET 65 Cb -0.08 -0.95 -0.01 0.00 2.01 0.00 0.00 34.83 35.80 3h83 s MET 65 CO 0.00 0.20 -0.15 0.00 -0.01 0.00 0.00 175.02 175.06 3h83 s ALA 66 N -1.64 1.30 0.11 3.03 0.00 -0.85 -1.17 121.76 122.53 3h83 s ALA 66 Ca 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 3h83 s ALA 66 Cb -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3h83 s ALA 66 CO 0.03 0.28 0.02 0.14 0.00 0.00 0.00 175.76 176.22 3h83 s VAL 67 N -0.15 0.25 0.06 0.00 -7.23 -1.26 -0.08 120.40 111.98 3h83 s VAL 67 Ca 0.02 -1.89 -0.10 0.00 -1.81 0.00 0.00 61.98 58.19 3h83 s VAL 67 Cb -0.08 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.98 3h83 s VAL 67 CO 0.00 -0.64 0.22 -0.94 -0.31 0.00 0.00 175.10 173.43 3h83 s SER 68 N -3.03 0.02 0.43 4.85 1.04 -0.38 -4.87 113.70 111.78 3h83 s SER 68 Ca 0.19 -0.42 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 3h83 s SER 68 Cb 0.07 0.32 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 3h83 s SER 68 CO -0.02 -0.62 1.13 -0.55 0.98 0.00 0.00 173.24 174.16 3h83 s SER 69 N -2.32 6.39 0.00 7.02 0.15 -1.26 -0.49 113.70 123.19 3h83 s SER 69 Ca -0.02 2.22 0.23 0.00 0.70 0.00 0.00 55.95 59.09 3h83 s SER 69 Cb 0.01 -2.60 0.18 0.00 -1.71 0.00 0.00 66.02 61.90 3h83 s SER 69 CO -0.06 -0.76 1.19 -1.22 1.20 0.00 0.00 173.24 173.59 3h83 n TYR 70 N -0.30 0.00 -0.13 3.44 0.53 -1.26 -4.79 117.16 114.65 3h83 n TYR 70 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.94 3h83 n TYR 70 Cb 0.48 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.71 3h83 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h83 n GLY 71 N 1.45 1.96 2.09 2.72 0.00 -1.26 -4.62 105.19 107.53 3h83 n GLY 71 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3h83 n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h83 n HIS 72 N -2.00 -3.42 0.25 1.61 8.25 -1.26 -4.78 115.22 113.87 3h83 n HIS 72 Ca 0.00 0.91 0.13 0.00 -0.26 0.00 0.00 57.72 58.50 3h83 n HIS 72 Cb 0.00 1.93 0.65 0.00 1.12 0.00 0.00 29.99 33.68 3h83 n HIS 72 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3h83 h SER 73 N 0.00 0.00 0.16 0.41 0.87 -1.88 -2.67 113.55 110.44 3h83 h SER 73 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3h83 h SER 73 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3h83 h SER 73 CO 0.00 0.14 -0.08 0.74 -0.53 0.00 0.00 176.83 177.10 3h83 h THR 74 N 0.00 0.97 0.00 2.23 2.02 -1.87 0.60 112.91 116.85 3h83 h THR 74 Ca -0.00 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3h83 h THR 74 Cb 0.50 1.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3h83 h THR 74 CO 0.02 0.16 -0.12 0.58 0.37 0.00 0.00 175.52 176.54 3h83 h VAL 75 N -0.58 0.65 0.00 3.16 2.07 -1.83 -1.34 116.25 118.37 3h83 h VAL 75 Ca -0.02 -0.49 -0.30 0.00 0.82 0.00 0.00 66.70 66.71 3h83 h VAL 75 Cb 0.44 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3h83 h VAL 75 CO 0.04 0.11 -2.15 -1.54 0.02 0.00 0.00 177.57 174.05 3h83 n SER 76 N -3.77 1.87 -0.00 0.57 3.41 -1.02 -4.77 113.62 109.91 3h83 n SER 76 Ca -0.02 -0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.54 3h83 n SER 76 Cb 0.22 0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3h83 n SER 76 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3h83 n THR 77 N -2.91 0.00 -0.16 6.66 5.66 0.20 -5.01 114.28 118.72 3h83 n THR 77 Ca -0.33 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 3h83 n THR 77 Cb 0.94 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 3h83 n THR 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h83 n GLY 78 N 1.86 1.59 3.68 1.09 0.00 -0.51 -4.69 105.19 108.20 3h83 n GLY 78 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3h83 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h83 n GLU 79 N -2.00 2.31 -4.35 1.61 2.13 -1.21 -4.21 120.64 114.92 3h83 n GLU 79 Ca 0.00 0.84 -0.18 0.00 0.66 0.00 0.00 57.16 58.48 3h83 n GLU 79 Cb 0.00 -2.66 -0.10 0.00 0.27 0.00 0.00 31.44 28.95 3h83 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3h83 s VAL 80 N 2.25 1.43 -0.05 6.31 -7.23 -1.26 -3.44 120.40 118.42 3h83 s VAL 80 Ca 0.84 -2.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.61 3h83 s VAL 80 Cb -0.64 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 3h83 s VAL 80 CO 0.42 -0.46 0.91 -0.75 -0.31 0.00 0.00 175.10 174.90 3h83 s LYS 81 N -3.74 4.48 -0.25 4.82 2.20 0.35 -4.88 119.74 122.72 3h83 s LYS 81 Ca 0.25 1.26 -0.26 0.00 -0.36 0.00 0.00 55.97 56.85 3h83 s LYS 81 Cb 0.03 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3h83 s LYS 81 CO 0.08 -0.10 0.92 0.42 -0.36 0.00 0.00 175.35 176.30 3h83 s ILE 82 N 1.26 4.75 -0.21 5.43 -1.09 -1.26 -1.24 121.20 128.83 3h83 s ILE 82 Ca 0.47 1.69 0.06 0.00 -2.23 0.00 0.00 60.65 60.64 3h83 s ILE 82 Cb -0.19 -4.21 -0.21 0.00 -1.58 0.00 0.00 42.46 36.27 3h83 s ILE 82 CO 0.22 -0.17 -0.02 0.18 -1.23 0.00 0.00 174.94 173.93 3h83 n LEU 83 N 6.21 1.98 -3.76 2.97 4.77 0.88 -4.83 117.00 125.22 3h83 n LEU 83 Ca 0.08 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 3h83 n LEU 83 Cb 0.47 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 3h83 n LEU 83 CO 0.50 0.77 -0.38 -0.75 -1.33 0.00 0.00 177.39 176.21 3h83 s LYS 84 N -2.52 0.65 0.72 3.23 2.20 -0.56 -4.93 119.74 118.53 3h83 s LYS 84 Ca -0.25 -0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 3h83 s LYS 84 Cb 0.08 -1.35 0.07 0.00 -1.51 0.00 0.00 37.83 35.11 3h83 s LYS 84 CO 0.70 -0.41 1.04 0.34 -0.36 0.00 0.00 175.35 176.66 3h83 s ASP 85 N 1.93 4.74 0.70 1.43 -1.08 -1.26 -2.01 116.67 121.13 3h83 s ASP 85 Ca 0.03 0.50 -0.16 0.00 -0.52 0.00 0.00 52.55 52.40 3h83 s ASP 85 Cb -0.14 -1.11 0.02 0.00 -1.46 0.00 0.00 42.92 40.23 3h83 s ASP 85 CO -0.06 -1.66 1.26 -0.76 0.52 0.00 0.00 175.17 174.46 3h83 s LEU 86 N -5.30 3.41 0.00 -1.34 1.43 -1.26 -4.84 118.68 110.78 3h83 s LEU 86 Ca 0.61 2.51 0.29 0.00 -1.03 0.00 0.00 54.13 56.51 3h83 s LEU 86 Cb -0.11 -4.61 1.26 0.00 0.03 0.00 0.00 46.19 42.77 3h83 s LEU 86 CO 0.45 -2.23 1.88 0.47 0.23 0.00 0.00 176.35 177.15 3h83 n ASP 87 N -2.42 0.48 -4.19 2.29 8.00 -1.26 -4.86 116.55 114.59 3h83 n ASP 87 Ca 0.15 -0.62 -0.11 0.00 0.71 0.00 0.00 54.79 54.91 3h83 n ASP 87 Cb 0.49 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 3h83 n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h83 s THR 88 N -2.43 0.39 0.53 -3.53 -1.32 -1.26 -5.15 115.64 102.88 3h83 s THR 88 Ca 0.30 -1.93 -0.19 0.00 -1.21 0.00 0.00 61.69 58.66 3h83 s THR 88 Cb 0.20 -2.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.11 3h83 s THR 88 CO 0.46 -0.53 1.08 -0.94 -2.21 0.00 0.00 174.62 172.48 3h83 s SER 89 N -3.09 5.94 0.13 8.08 1.04 -1.26 -4.97 113.70 119.56 3h83 s SER 89 Ca 0.22 2.03 0.20 0.00 0.48 0.00 0.00 55.95 58.88 3h83 s SER 89 Cb 0.07 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 3h83 s SER 89 CO 0.01 -1.06 0.92 0.52 0.98 0.00 0.00 173.24 174.61 3h83 n VAL 90 N -1.31 0.88 -1.66 5.02 0.31 -1.26 -4.84 118.33 115.46 3h83 n VAL 90 Ca 0.10 -0.62 -0.52 0.00 -0.01 0.00 0.00 64.34 63.30 3h83 n VAL 90 Cb 0.52 -0.52 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 3h83 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h83 n GLU 91 N -2.77 1.58 -0.87 5.55 2.13 -1.16 -0.48 120.64 124.63 3h83 n GLU 91 Ca -0.05 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3h83 n GLU 91 Cb 0.69 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 30.10 3h83 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h83 n GLY 92 N 3.62 0.63 3.87 8.31 0.00 0.34 -4.92 105.19 117.04 3h83 n GLY 92 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3h83 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h83 s ARG 93 N -0.37 3.81 -0.46 1.61 1.81 0.37 -4.40 118.95 121.33 3h83 s ARG 93 Ca 0.00 0.26 -0.26 0.00 -1.72 0.00 0.00 55.73 54.01 3h83 s ARG 93 Cb 0.00 -2.85 0.03 0.00 -0.45 0.00 0.00 34.95 31.67 3h83 s ARG 93 CO 0.00 0.45 0.94 -0.51 -0.68 0.00 0.00 175.30 175.51 3h83 s ASP 94 N -2.01 6.51 -0.11 0.23 1.01 -1.26 0.14 116.67 121.18 3h83 s ASP 94 Ca 0.40 0.16 -0.17 0.00 0.71 0.00 0.00 52.55 53.64 3h83 s ASP 94 Cb -0.13 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3h83 s ASP 94 CO 0.20 -1.07 0.45 -0.63 0.21 0.00 0.00 175.17 174.33 3h83 s ILE 95 N 3.81 5.18 -0.26 0.77 -1.09 0.28 -1.12 121.20 128.77 3h83 s ILE 95 Ca 0.38 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.72 3h83 s ILE 95 Cb -0.10 -3.78 0.06 0.00 -1.58 0.00 0.00 42.46 37.06 3h83 s ILE 95 CO 0.27 0.36 -0.10 -0.22 -1.23 0.00 0.00 174.94 174.02 3h83 s LEU 96 N 0.42 3.50 -0.10 2.97 2.96 -0.32 -0.98 118.68 127.13 3h83 s LEU 96 Ca 0.24 -1.43 -0.21 0.00 -0.22 0.00 0.00 54.13 52.51 3h83 s LEU 96 Cb -0.15 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3h83 s LEU 96 CO 0.10 -0.20 0.60 -0.63 -1.32 0.00 0.00 176.35 174.90 3h83 s ILE 97 N 1.10 5.10 -0.19 6.68 1.01 0.51 -0.59 121.20 134.82 3h83 s ILE 97 Ca -0.08 1.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.75 3h83 s ILE 97 Cb -0.20 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3h83 s ILE 97 CO -0.05 0.27 -0.04 -0.69 0.00 0.00 0.00 174.94 174.42 3h83 s VAL 98 N 0.82 3.58 0.08 2.92 1.01 0.44 -0.69 120.40 128.57 3h83 s VAL 98 Ca 0.32 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3h83 s VAL 98 Cb -0.16 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3h83 s VAL 98 CO 0.14 0.45 -0.13 -0.70 0.00 0.00 0.00 175.10 174.86 3h83 s GLU 99 N 0.94 0.86 -0.03 2.72 2.56 0.20 -3.94 118.70 122.01 3h83 s GLU 99 Ca -0.00 -1.04 -0.16 0.00 0.00 0.00 0.00 54.97 53.77 3h83 s GLU 99 Cb -0.15 -0.78 -0.32 0.00 2.00 0.00 0.00 34.13 34.88 3h83 s GLU 99 CO 0.01 0.16 0.82 0.38 -0.56 0.00 0.00 175.26 176.07 3h83 h ASP 100 N 4.03 0.63 -4.07 -1.70 2.03 -1.86 -1.79 116.42 113.70 3h83 h ASP 100 Ca -0.40 -0.92 -0.12 0.00 -0.73 0.00 0.00 57.03 54.86 3h83 h ASP 100 Cb 1.19 -0.21 -0.23 0.00 -0.83 0.00 0.00 39.33 39.25 3h83 h ASP 100 CO 0.44 1.65 -0.21 -0.51 -1.03 0.00 0.00 179.24 179.58 3h83 s ILE 101 N -2.53 0.01 -0.16 4.15 2.07 -1.26 -0.99 121.20 122.49 3h83 s ILE 101 Ca -0.14 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 3h83 s ILE 101 Cb 0.04 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 42.02 3h83 s ILE 101 CO 0.87 -0.03 -0.17 -0.63 -1.91 0.00 0.00 174.94 173.07 3h83 s ILE 102 N -0.02 2.46 0.00 2.00 1.01 -0.94 -4.98 121.20 120.72 3h83 s ILE 102 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3h83 s ILE 102 Cb -0.03 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3h83 s ILE 102 CO 0.01 0.52 0.00 -0.67 0.00 0.00 0.00 174.94 174.81 3h83 n ASP 103 N 4.18 0.00 -0.06 3.58 -0.08 -1.26 -0.80 116.55 122.10 3h83 n ASP 103 Ca -0.19 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.04 3h83 n ASP 103 Cb 0.51 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.15 3h83 n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3h83 h SER 104 N 0.00 0.67 0.00 1.67 4.64 -1.85 -2.78 113.55 115.90 3h83 h SER 104 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3h83 h SER 104 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3h83 h SER 104 CO 0.00 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 3h83 n GLY 105 N -0.54 0.81 0.08 -0.77 0.00 -1.26 -0.23 105.19 103.28 3h83 n GLY 105 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3h83 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h83 h LEU 106 N 0.00 0.13 -0.54 0.99 3.38 -1.93 -1.52 115.31 115.82 3h83 h LEU 106 Ca 0.00 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3h83 h LEU 106 Cb 0.02 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3h83 h LEU 106 CO 0.00 0.35 0.10 0.74 0.09 0.00 0.00 178.44 179.72 3h83 h THR 107 N -0.09 1.25 -0.49 0.22 2.02 -1.87 -1.99 112.91 111.95 3h83 h THR 107 Ca 0.03 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 3h83 h THR 107 Cb 0.28 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3h83 h THR 107 CO 0.00 0.34 0.06 0.25 0.37 0.00 0.00 175.52 176.54 3h83 h LEU 108 N 0.78 0.74 -0.76 2.58 5.85 -1.87 -0.56 115.31 122.06 3h83 h LEU 108 Ca 0.17 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3h83 h LEU 108 Cb 0.39 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3h83 h LEU 108 CO 0.01 0.77 0.20 -1.28 -0.34 0.00 0.00 178.44 177.80 3h83 h SER 109 N 0.74 1.07 -0.49 1.25 0.87 -1.07 -0.89 113.55 115.04 3h83 h SER 109 Ca 0.15 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3h83 h SER 109 Cb 0.37 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3h83 h SER 109 CO 0.01 1.01 0.28 0.22 -0.53 0.00 0.00 176.83 177.82 3h83 h TYR 110 N 1.08 0.65 -0.55 2.24 3.20 -0.67 -2.72 116.97 120.20 3h83 h TYR 110 Ca 0.23 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 3h83 h TYR 110 Cb 0.34 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3h83 h TYR 110 CO 0.03 0.47 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.91 3h83 h LEU 111 N 0.65 0.99 -0.67 2.82 3.38 -0.68 -1.37 115.31 120.43 3h83 h LEU 111 Ca 0.17 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3h83 h LEU 111 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3h83 h LEU 111 CO -0.03 1.08 0.39 0.58 0.09 0.00 0.00 178.44 180.54 3h83 h VAL 112 N 0.88 1.20 0.00 1.22 2.07 -1.07 -0.32 116.25 120.24 3h83 h VAL 112 Ca 0.15 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 3h83 h VAL 112 Cb 0.59 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3h83 h VAL 112 CO 0.04 0.22 -0.58 0.44 0.02 0.00 0.00 177.57 177.70 3h83 h ASP 113 N 0.92 0.00 -0.20 0.57 3.32 -1.37 -1.58 116.42 118.08 3h83 h ASP 113 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3h83 h ASP 113 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3h83 h ASP 113 CO -0.04 0.34 0.13 0.25 -1.72 0.00 0.00 179.24 178.19 3h83 h LEU 114 N 0.00 0.24 -1.09 1.55 5.85 -0.65 -0.93 115.31 120.27 3h83 h LEU 114 Ca -0.03 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3h83 h LEU 114 Cb 1.28 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3h83 h LEU 114 CO 0.04 0.21 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.01 3h83 h PHE 115 N 0.25 0.59 -0.71 1.25 0.04 -0.72 0.14 116.94 117.78 3h83 h PHE 115 Ca 0.07 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3h83 h PHE 115 Cb 0.01 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 3h83 h PHE 115 CO -0.05 0.62 0.20 0.87 -0.60 0.00 0.00 178.31 179.35 3h83 h LYS 116 N 0.52 1.13 -0.73 1.51 1.57 -1.19 -2.18 116.57 117.20 3h83 h LYS 116 Ca 0.10 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 3h83 h LYS 116 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3h83 h LYS 116 CO 0.02 0.98 0.37 -0.92 -0.57 0.00 0.00 179.45 179.33 3h83 h TYR 117 N 1.07 1.02 0.00 -1.35 3.20 -0.40 0.56 116.97 121.06 3h83 h TYR 117 Ca 0.23 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3h83 h TYR 117 Cb 0.34 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3h83 h TYR 117 CO 0.03 0.72 0.00 0.54 -1.64 0.00 0.00 178.16 177.81 3h83 n ARG 118 N -4.34 0.78 -2.61 1.82 1.74 0.41 -4.88 116.66 109.58 3h83 n ARG 118 Ca 0.07 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.03 3h83 n ARG 118 Cb 0.12 -1.04 0.02 0.00 -1.02 0.00 0.00 32.46 30.54 3h83 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3h83 n LYS 119 N -0.44 -2.47 -1.74 5.56 5.02 0.19 -2.97 118.16 121.31 3h83 n LYS 119 Ca 0.00 0.51 -0.39 0.00 -2.02 0.00 0.00 58.31 56.42 3h83 n LYS 119 Cb 0.02 -4.55 0.04 0.00 -0.02 0.00 0.00 35.03 30.52 3h83 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h83 n ALA 120 N -2.59 1.52 -0.10 7.82 0.00 -0.85 -0.50 120.51 125.80 3h83 n ALA 120 Ca -0.07 0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 3h83 n ALA 120 Cb 0.57 -2.34 0.01 0.00 0.00 0.00 0.00 19.45 17.69 3h83 n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h83 h LYS 121 N 1.42 0.86 -2.93 0.00 3.64 -0.51 -3.44 116.57 115.62 3h83 h LYS 121 Ca -0.51 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.38 3h83 h LYS 121 Cb 1.31 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 3h83 h LYS 121 CO 0.57 1.09 0.03 -1.54 -2.27 0.00 0.00 179.45 177.32 3h83 s SER 122 N -6.84 -0.41 -0.07 4.20 1.04 -1.20 -4.97 113.70 105.45 3h83 s SER 122 Ca -0.10 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3h83 s SER 122 Cb 0.12 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3h83 s SER 122 CO 0.87 -0.77 -0.05 -0.69 0.98 0.00 0.00 173.24 173.57 3h83 s VAL 123 N -2.85 0.70 0.18 5.02 1.01 -1.26 -0.56 120.40 122.64 3h83 s VAL 123 Ca -0.03 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3h83 s VAL 123 Cb -0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3h83 s VAL 123 CO -0.05 0.29 -0.12 -0.54 0.00 0.00 0.00 175.10 174.68 3h83 s LYS 124 N 1.29 1.21 -0.06 2.72 1.02 -0.15 -5.00 119.74 120.77 3h83 s LYS 124 Ca -0.04 -1.53 0.04 0.00 0.02 0.00 0.00 55.97 54.45 3h83 s LYS 124 Cb -0.14 -0.88 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3h83 s LYS 124 CO -0.02 0.12 -0.17 0.42 -0.92 0.00 0.00 175.35 174.78 3h83 s ILE 125 N -3.15 1.46 -0.15 2.17 1.01 -1.26 -0.37 121.20 120.91 3h83 s ILE 125 Ca 0.20 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3h83 s ILE 125 Cb 0.01 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 3h83 s ILE 125 CO 0.04 0.42 -0.16 0.54 0.00 0.00 0.00 174.94 175.79 3h83 s VAL 126 N 0.30 2.64 -0.03 2.92 0.11 0.13 -1.02 120.40 125.44 3h83 s VAL 126 Ca -0.10 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.21 3h83 s VAL 126 Cb -0.14 -2.11 -0.00 0.00 -1.53 0.00 0.00 36.38 32.59 3h83 s VAL 126 CO 0.04 0.52 -0.15 0.28 -3.33 0.00 0.00 175.10 172.45 3h83 s THR 127 N 0.79 1.28 0.08 5.04 -1.32 -0.36 -0.63 115.64 120.52 3h83 s THR 127 Ca -0.06 -0.65 -0.19 0.00 -1.21 0.00 0.00 61.69 59.59 3h83 s THR 127 Cb -0.15 -1.09 -0.09 0.00 -1.51 0.00 0.00 72.50 69.65 3h83 s THR 127 CO 0.00 0.37 1.50 0.25 -2.21 0.00 0.00 174.62 174.54 3h83 h LEU 128 N 6.14 0.42 -8.70 9.08 5.85 -1.32 -1.68 115.31 125.10 3h83 h LEU 128 Ca -0.34 -0.32 -0.61 0.00 0.84 0.00 0.00 57.88 57.45 3h83 h LEU 128 Cb 1.17 -0.11 -0.23 0.00 0.37 0.00 0.00 40.66 41.85 3h83 h LEU 128 CO 0.48 0.64 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.62 3h83 s LEU 129 N -9.45 2.25 -0.04 2.25 1.43 -0.16 -0.77 118.68 114.19 3h83 s LEU 129 Ca -0.14 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 3h83 s LEU 129 Cb 0.07 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.28 3h83 s LEU 129 CO 0.75 0.14 -0.06 -0.62 0.23 0.00 0.00 176.35 176.78 3h83 s ASP 130 N -1.68 1.05 -0.60 2.29 2.15 -0.29 -2.22 116.67 117.37 3h83 s ASP 130 Ca 0.09 -0.16 0.06 0.00 0.43 0.00 0.00 52.55 52.97 3h83 s ASP 130 Cb -0.10 -0.43 0.23 0.00 -0.30 0.00 0.00 42.92 42.32 3h83 s ASP 130 CO 0.04 -0.01 0.63 1.17 -0.17 0.00 0.00 175.17 176.83 3h83 n LYS 131 N 3.75 1.95 0.18 4.34 4.81 0.02 -0.55 118.16 132.66 3h83 n LYS 131 Ca -0.23 -4.31 0.14 0.00 -0.87 0.00 0.00 58.31 53.04 3h83 n LYS 131 Cb 0.52 -2.06 0.59 0.00 0.02 0.00 0.00 35.03 34.10 3h83 n LYS 131 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3h83 h PRO 132 N 4.49 0.00 0.00 1.64 0.13 -1.86 -1.25 132.00 135.14 3h83 h PRO 132 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3h83 h PRO 132 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3h83 h PRO 132 CO 0.72 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.28 3h83 h THR 133 N 0.00 0.00 -0.01 1.56 1.35 -1.93 -2.54 112.91 111.35 3h83 h THR 133 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3h83 h THR 133 Cb 0.34 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3h83 h THR 133 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3h83 n GLY 134 N 0.07 -0.71 3.71 5.82 0.00 -0.47 -4.97 105.19 108.64 3h83 n GLY 134 Ca 0.01 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3h83 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h83 n ARG 135 N -0.66 2.22 0.00 1.61 5.12 -0.96 -3.47 116.66 120.52 3h83 n ARG 135 Ca 0.22 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 3h83 n ARG 135 Cb 0.18 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.07 3h83 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3h83 n LYS 136 N 0.46 1.10 -3.51 5.56 4.76 0.68 -4.91 118.16 122.30 3h83 n LYS 136 Ca 0.04 -1.02 -0.12 0.00 -2.87 0.00 0.00 58.31 54.34 3h83 n LYS 136 Cb 0.37 -1.00 -0.03 0.00 -1.84 0.00 0.00 35.03 32.53 3h83 n LYS 136 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3h83 s VAL 137 N -0.52 0.02 -0.45 -0.18 0.11 -1.23 -4.96 120.40 113.19 3h83 s VAL 137 Ca 0.00 -0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 3h83 s VAL 137 Cb 0.00 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3h83 s VAL 137 CO 0.00 -0.11 1.11 -1.81 -3.33 0.00 0.00 175.10 170.96 3h83 s ASP 138 N -2.57 6.68 -0.23 3.54 -0.00 -1.26 -4.91 116.67 117.92 3h83 s ASP 138 Ca -0.00 0.56 -0.05 0.00 -0.00 0.00 0.00 52.55 53.06 3h83 s ASP 138 Cb -0.00 -2.54 0.12 0.00 -0.00 0.00 0.00 42.92 40.50 3h83 s ASP 138 CO -0.10 -1.17 0.44 -0.22 -0.00 0.00 0.00 175.17 174.13 3h83 s LEU 139 N 4.25 -0.76 -0.18 1.23 2.96 -1.26 -5.06 118.68 119.86 3h83 s LEU 139 Ca 0.47 0.74 -0.04 0.00 -0.22 0.00 0.00 54.13 55.08 3h83 s LEU 139 Cb -0.08 1.43 -0.02 0.00 0.50 0.00 0.00 46.19 48.01 3h83 s LEU 139 CO 0.28 -0.26 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.26 3h83 s LYS 140 N 2.64 3.56 0.48 1.98 2.20 -1.26 -5.06 119.74 124.28 3h83 s LYS 140 Ca 0.06 -0.56 -0.21 0.00 -0.36 0.00 0.00 55.97 54.90 3h83 s LYS 140 Cb -0.14 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.16 3h83 s LYS 140 CO -0.15 0.09 1.04 0.00 -0.36 0.00 0.00 175.35 175.96 3h83 s ALA 141 N 0.77 2.89 -0.07 3.13 0.00 -1.26 -4.93 121.76 122.29 3h83 s ALA 141 Ca -0.02 0.62 0.14 0.00 0.00 0.00 0.00 51.96 52.71 3h83 s ALA 141 Cb -0.15 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3h83 s ALA 141 CO 0.02 -0.31 1.45 -0.44 0.00 0.00 0.00 175.76 176.47 3h83 h ASP 142 N 1.65 0.00 -3.50 0.00 3.32 -1.46 -3.44 116.42 112.98 3h83 h ASP 142 Ca -0.49 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.28 3h83 h ASP 142 Cb 1.22 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.44 3h83 h ASP 142 CO 0.59 0.58 -0.67 -0.31 -1.72 0.00 0.00 179.24 177.71 3h83 s TYR 143 N -2.99 -0.05 -0.01 4.55 2.02 -0.62 -5.00 117.35 115.24 3h83 s TYR 143 Ca 0.03 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3h83 s TYR 143 Cb 0.08 -0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.49 3h83 s TYR 143 CO 0.75 -0.11 -0.04 0.08 -1.57 0.00 0.00 175.55 174.65 3h83 s VAL 144 N 1.03 0.40 -0.08 0.71 1.01 -1.26 -1.22 120.40 121.00 3h83 s VAL 144 Ca -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 3h83 s VAL 144 Cb -0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 3h83 s VAL 144 CO -0.04 0.14 -0.03 1.23 0.00 0.00 0.00 175.10 176.40 3h83 h GLY 145 N 6.38 0.00 -5.36 4.51 0.00 -0.98 -3.49 103.07 104.13 3h83 h GLY 145 Ca -0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 3h83 h GLY 145 CO 0.49 0.00 -0.58 -1.36 0.00 0.00 0.00 176.54 175.10 3h83 s PHE 146 N -1.49 -0.09 -0.14 5.60 0.08 0.05 -5.01 117.98 116.98 3h83 s PHE 146 Ca -0.02 0.21 -0.23 0.00 0.12 0.00 0.00 56.93 57.02 3h83 s PHE 146 Cb 0.00 0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.45 3h83 s PHE 146 CO 0.03 -0.09 0.70 0.99 -0.10 0.00 0.00 175.22 176.75 3h83 s THR 147 N -0.18 5.00 -0.20 0.64 2.01 -1.26 -1.14 115.64 120.50 3h83 s THR 147 Ca -0.03 1.38 -0.04 0.00 0.31 0.00 0.00 61.69 63.32 3h83 s THR 147 Cb -0.02 -4.02 0.07 0.00 0.01 0.00 0.00 72.50 68.53 3h83 s THR 147 CO 0.00 0.14 0.08 0.68 -0.69 0.00 0.00 174.62 174.83 3h83 s VAL 148 N 1.56 0.17 -0.51 3.82 -7.23 0.29 -4.90 120.40 113.59 3h83 s VAL 148 Ca 0.34 -0.43 0.24 0.00 -1.81 0.00 0.00 61.98 60.33 3h83 s VAL 148 Cb -0.17 -0.83 0.33 0.00 0.56 0.00 0.00 36.38 36.27 3h83 s VAL 148 CO 0.13 -0.33 1.67 1.55 -0.31 0.00 0.00 175.10 177.81 3h83 h PRO 149 N 8.34 0.00 -7.11 4.82 0.13 -1.97 -3.39 132.00 132.81 3h83 h PRO 149 Ca -0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.43 3h83 h PRO 149 Cb 1.12 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.38 3h83 h PRO 149 CO 0.33 0.00 0.48 -1.01 -0.23 0.00 0.00 178.00 177.57 3h83 s HIS 150 N -3.19 2.21 0.44 1.56 3.76 -1.26 -5.04 115.29 113.78 3h83 s HIS 150 Ca 0.08 1.51 -0.02 0.00 -0.15 0.00 0.00 55.06 56.47 3h83 s HIS 150 Cb 0.07 -3.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.16 3h83 s HIS 150 CO 0.64 -2.57 0.70 -2.00 -0.85 0.00 0.00 174.74 170.66 3h83 s GLU 151 N -3.43 3.39 -1.38 1.40 2.56 -1.26 -4.38 118.70 115.61 3h83 s GLU 151 Ca 0.79 -0.11 -0.07 0.00 0.00 0.00 0.00 54.97 55.59 3h83 s GLU 151 Cb -0.33 -2.49 0.03 0.00 2.00 0.00 0.00 34.13 33.33 3h83 s GLU 151 CO 0.37 -0.14 0.97 1.19 -0.56 0.00 0.00 175.26 177.09 3h83 n PHE 152 N -2.10 -2.34 -3.38 5.30 3.01 -1.26 -4.81 117.46 111.88 3h83 n PHE 152 Ca -0.01 0.92 -0.38 0.00 1.01 0.00 0.00 57.45 58.99 3h83 n PHE 152 Cb 0.56 -4.55 -0.06 0.00 -0.01 0.00 0.00 39.48 35.42 3h83 n PHE 152 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3h83 s VAL 153 N -3.41 5.00 0.24 -4.37 1.01 -1.26 -2.11 120.40 115.49 3h83 s VAL 153 Ca 0.36 0.98 0.01 0.00 0.00 0.00 0.00 61.98 63.33 3h83 s VAL 153 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3h83 s VAL 153 CO 0.78 0.50 0.13 0.68 0.00 0.00 0.00 175.10 177.19 3h83 s VAL 154 N -0.57 0.24 0.00 2.92 -7.23 0.07 -4.64 120.40 111.19 3h83 s VAL 154 Ca 0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3h83 s VAL 154 Cb -0.17 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3h83 s VAL 154 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 3h83 n GLY 155 N -0.40 2.31 3.87 2.32 0.00 0.65 -0.54 105.19 113.39 3h83 n GLY 155 Ca 0.01 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3h83 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h83 n TYR 156 N 1.76 -2.09 0.00 1.61 9.36 -0.42 -1.03 117.16 126.35 3h83 n TYR 156 Ca 0.00 0.87 0.00 0.00 3.32 0.00 0.00 57.90 62.09 3h83 n TYR 156 Cb 0.00 -4.04 0.00 0.00 -0.63 0.00 0.00 39.34 34.67 3h83 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h83 n GLY 157 N -1.67 2.75 3.73 2.98 0.00 0.00 -4.53 105.19 108.46 3h83 n GLY 157 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3h83 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h83 s LEU 158 N 0.00 4.53 0.32 0.99 1.43 -0.20 -4.32 118.68 121.43 3h83 s LEU 158 Ca 0.00 1.88 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 3h83 s LEU 158 Cb 0.00 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3h83 s LEU 158 CO 0.00 -0.05 -0.06 1.51 0.23 0.00 0.00 176.35 177.98 3h83 s ASP 159 N -0.26 3.96 -0.20 2.29 -4.77 -1.26 -0.26 116.67 116.17 3h83 s ASP 159 Ca 0.46 -1.03 -0.01 0.00 -3.30 0.00 0.00 52.55 48.67 3h83 s ASP 159 Cb -0.25 -0.46 0.05 0.00 -1.09 0.00 0.00 42.92 41.18 3h83 s ASP 159 CO 0.31 -0.15 -0.01 -0.47 0.70 0.00 0.00 175.17 175.55 3h83 s TYR 160 N -2.53 1.62 -1.45 2.11 5.04 -0.50 -4.80 117.35 116.84 3h83 s TYR 160 Ca 0.33 -1.18 -0.10 0.00 -2.44 0.00 0.00 57.07 53.68 3h83 s TYR 160 Cb -0.01 -1.27 0.05 0.00 0.35 0.00 0.00 41.96 41.09 3h83 s TYR 160 CO 0.18 -0.66 0.96 1.63 -1.34 0.00 0.00 175.55 176.32 3h83 n LYS 161 N 4.89 -5.88 -0.53 4.97 4.01 -1.26 -1.55 118.16 122.81 3h83 n LYS 161 Ca -0.11 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.35 3h83 n LYS 161 Cb 0.46 -5.51 0.00 0.00 -0.51 0.00 0.00 35.03 29.47 3h83 n LYS 161 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3h83 n GLU 162 N -4.64 0.00 -3.19 1.97 -0.58 -1.26 -5.01 120.64 107.93 3h83 n GLU 162 Ca -0.05 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.48 3h83 n GLU 162 Cb 0.57 -2.86 0.01 0.00 -0.57 0.00 0.00 31.44 28.58 3h83 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3h83 s GLN 163 N -0.21 3.06 0.00 3.49 -1.52 -0.59 -4.63 119.66 119.26 3h83 s GLN 163 Ca 0.00 -0.75 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 3h83 s GLN 163 Cb 0.00 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 3h83 s GLN 163 CO 0.00 -0.14 0.00 0.66 -0.25 0.00 0.00 175.29 175.56 3h83 n TYR 164 N -1.89 0.00 0.22 0.91 4.01 -1.26 -1.41 117.16 117.74 3h83 n TYR 164 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3h83 n TYR 164 Cb 0.58 -0.36 0.73 0.00 -0.31 0.00 0.00 39.34 39.98 3h83 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h83 h ARG 165 N 2.12 0.00 -0.03 -0.72 3.08 -1.81 -2.58 114.38 114.44 3h83 h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h83 h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h83 h ARG 165 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.17 3h83 n ASN 166 N -4.28 0.73 -4.77 7.04 6.94 -1.26 -0.82 115.26 118.84 3h83 n ASN 166 Ca -0.01 -1.35 -0.40 0.00 -0.02 0.00 0.00 54.58 52.80 3h83 n ASN 166 Cb 0.20 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.59 3h83 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h83 s LEU 167 N -1.84 4.33 0.00 -4.53 1.43 -0.98 -4.84 118.68 112.25 3h83 s LEU 167 Ca 0.38 2.76 0.12 0.00 -1.03 0.00 0.00 54.13 56.36 3h83 s LEU 167 Cb 0.19 -3.73 0.53 0.00 0.03 0.00 0.00 46.19 43.20 3h83 s LEU 167 CO 0.31 -0.71 1.36 -0.81 0.23 0.00 0.00 176.35 176.73 3h83 n PRO 168 N 0.51 1.30 -4.24 1.29 -0.04 -1.26 -1.30 135.00 131.26 3h83 n PRO 168 Ca 0.01 -0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 62.85 3h83 n PRO 168 Cb 0.42 -1.21 -0.09 0.00 -0.04 0.00 0.00 33.50 32.58 3h83 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3h83 s TYR 169 N -1.86 1.49 -0.21 0.54 -0.85 -1.26 -3.95 117.35 111.25 3h83 s TYR 169 Ca 0.19 -1.53 -0.04 0.00 -0.52 0.00 0.00 57.07 55.16 3h83 s TYR 169 Cb 0.09 -0.63 -0.02 0.00 0.38 0.00 0.00 41.96 41.78 3h83 s TYR 169 CO 0.14 -0.78 -0.02 0.08 -1.52 0.00 0.00 175.55 173.45 3h83 s VAL 170 N -3.74 3.66 0.32 -3.49 1.01 -0.12 -3.20 120.40 114.84 3h83 s VAL 170 Ca 0.40 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3h83 s VAL 170 Cb 0.04 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 3h83 s VAL 170 CO 0.21 0.43 -0.06 -0.83 0.00 0.00 0.00 175.10 174.85 3h83 s GLY 171 N 1.20 2.05 -0.19 4.51 0.00 0.30 -0.86 107.32 114.32 3h83 s GLY 171 Ca 0.03 -2.02 -0.07 0.00 0.00 0.00 0.00 44.72 42.65 3h83 s GLY 171 CO 0.00 -1.94 0.06 0.14 0.00 0.00 0.00 173.10 171.37 3h83 s VAL 172 N -2.85 4.71 0.37 1.40 1.01 -0.42 -0.75 120.40 123.87 3h83 s VAL 172 Ca 0.32 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 3h83 s VAL 172 Cb 0.04 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3h83 s VAL 172 CO 0.14 0.44 1.22 -0.76 0.00 0.00 0.00 175.10 176.15 3h83 s LEU 173 N 0.55 4.29 0.34 3.92 1.43 -0.90 -0.70 118.68 127.62 3h83 s LEU 173 Ca 0.03 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.32 3h83 s LEU 173 Cb -0.13 -3.87 -0.12 0.00 0.03 0.00 0.00 46.19 42.10 3h83 s LEU 173 CO 0.01 -0.63 1.46 0.29 0.23 0.00 0.00 176.35 177.72 3h83 n LYS 174 N 0.36 2.53 0.05 1.70 5.02 0.09 -4.48 118.16 123.42 3h83 n LYS 174 Ca 0.03 0.89 0.13 0.00 -2.02 0.00 0.00 58.31 57.34 3h83 n LYS 174 Cb 0.45 -2.59 0.60 0.00 -0.02 0.00 0.00 35.03 33.47 3h83 n LYS 174 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3h83 h PRO 175 N 3.32 0.15 0.00 1.97 0.11 -1.91 -1.68 132.00 133.96 3h83 h PRO 175 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h83 h PRO 175 Cb 1.25 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h83 h PRO 175 CO 0.68 0.10 -0.01 0.66 -0.21 0.00 0.00 178.00 179.21 3h83 h SER 176 N 0.15 0.00 0.12 -2.05 4.64 -1.91 0.22 113.55 114.73 3h83 h SER 176 Ca 0.18 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 3h83 h SER 176 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3h83 h SER 176 CO -0.03 0.01 -0.64 0.58 -0.87 0.00 0.00 176.83 175.88 3h83 h VAL 177 N 0.00 1.34 -0.17 0.95 2.07 -1.65 -2.83 116.25 115.97 3h83 h VAL 177 Ca -0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3h83 h VAL 177 Cb 0.04 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3h83 h VAL 177 CO 0.00 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.19 3h83 n TYR 178 N -3.90 0.36 -0.26 1.57 0.18 -1.08 -5.10 117.16 108.92 3h83 n TYR 178 Ca -0.04 -0.68 0.00 0.00 1.88 0.00 0.00 57.90 59.06 3h83 n TYR 178 Cb 0.66 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3h83 n TYR 178 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65