#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h80 h LEU -4 N 0.00 0.00 -1.41 1.20 8.10 -2.09 -0.96 115.31 120.15 3h80 h LEU -4 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3h80 h LEU -4 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3h80 h LEU -4 CO 0.00 0.00 -0.02 -1.22 -4.11 0.00 0.00 178.44 173.09 3h80 n TYR -3 N -3.41 0.00 -1.81 0.17 4.02 -1.26 -4.95 117.16 109.92 3h80 n TYR -3 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 3h80 n TYR -3 Cb 0.41 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.70 3h80 n TYR -3 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3h80 s PHE -2 N -2.02 2.94 -0.19 -0.72 5.36 -0.37 -4.92 117.98 118.05 3h80 s PHE -2 Ca 0.32 0.53 0.06 0.00 -0.96 0.00 0.00 56.93 56.88 3h80 s PHE -2 Cb 0.20 -4.05 -0.07 0.00 -0.34 0.00 0.00 43.02 38.76 3h80 s PHE -2 CO 0.33 -3.85 0.21 1.04 -1.46 0.00 0.00 175.22 171.49 3h80 n GLN -1 N 3.62 3.59 0.00 10.12 6.02 -1.26 -4.89 117.38 134.58 3h80 n GLN -1 Ca 0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3h80 n GLN -1 Cb 0.37 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.74 3h80 n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h80 n GLY 0 N 1.45 0.91 3.12 1.08 0.00 -1.26 -4.32 105.19 106.18 3h80 n GLY 0 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 3h80 n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h80 s MET 1 N -1.64 0.49 -0.08 1.61 1.75 0.05 -5.01 119.30 116.49 3h80 s MET 1 Ca 0.00 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 3h80 s MET 1 Cb 0.00 0.21 0.02 0.00 2.84 0.00 0.00 34.83 37.90 3h80 s MET 1 CO 0.00 -0.12 -0.08 0.99 -0.65 0.00 0.00 175.02 175.16 3h80 s THR 2 N -1.28 0.90 0.02 10.11 2.01 -1.26 -0.71 115.64 125.44 3h80 s THR 2 Ca -0.14 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3h80 s THR 2 Cb -0.07 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3h80 s THR 2 CO 0.02 0.32 0.01 -1.61 -0.69 0.00 0.00 174.62 172.67 3h80 s GLU 3 N 1.14 2.77 -0.06 4.92 2.02 0.33 -4.96 118.70 124.85 3h80 s GLU 3 Ca -0.06 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.31 3h80 s GLU 3 Cb -0.14 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 3h80 s GLU 3 CO -0.01 0.60 -0.17 0.99 0.02 0.00 0.00 175.26 176.69 3h80 s THR 4 N -1.16 2.79 0.03 3.63 2.01 -1.26 -0.47 115.64 121.21 3h80 s THR 4 Ca 0.22 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3h80 s THR 4 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 3h80 s THR 4 CO 0.13 0.57 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.11 3h80 s PHE 5 N -0.41 1.40 0.44 4.92 0.40 -0.18 -5.00 117.98 119.55 3h80 s PHE 5 Ca 0.04 -0.33 -0.22 0.00 -0.60 0.00 0.00 56.93 55.82 3h80 s PHE 5 Cb -0.12 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.47 3h80 s PHE 5 CO 0.02 0.03 1.04 0.00 0.70 0.00 0.00 175.22 177.02 3h80 s ALA 6 N -0.70 2.99 0.37 5.36 0.00 -1.26 -1.44 121.76 127.08 3h80 s ALA 6 Ca 0.04 0.66 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 3h80 s ALA 6 Cb -0.08 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3h80 s ALA 6 CO 0.01 -0.26 1.04 -0.06 0.00 0.00 0.00 175.76 176.49 3h80 s PHE 7 N -1.81 3.36 0.35 0.00 0.40 -0.79 -4.73 117.98 114.77 3h80 s PHE 7 Ca 0.62 1.67 -0.25 0.00 -0.60 0.00 0.00 56.93 58.37 3h80 s PHE 7 Cb -0.19 -3.12 -0.13 0.00 0.51 0.00 0.00 43.02 40.08 3h80 s PHE 7 CO 0.24 -0.51 0.73 0.94 0.70 0.00 0.00 175.22 177.33 3h80 n GLN 8 N 0.18 0.81 -0.15 0.44 0.00 0.10 -4.71 117.38 114.05 3h80 n GLN 8 Ca 0.04 0.29 -0.04 0.00 -0.00 0.00 0.00 57.00 57.29 3h80 n GLN 8 Cb 0.49 -1.60 0.05 0.00 0.00 0.00 0.00 30.24 29.18 3h80 n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h80 h ALA 9 N 1.26 0.57 -0.40 1.69 0.00 -1.95 -0.28 119.26 120.15 3h80 h ALA 9 Ca -0.39 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3h80 h ALA 9 Cb 1.38 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3h80 h ALA 9 CO 0.55 -0.23 -0.27 0.93 0.00 0.00 0.00 179.25 180.23 3h80 h GLU 10 N 0.33 0.84 -0.47 0.00 3.07 -1.98 -2.15 114.58 114.23 3h80 h GLU 10 Ca 0.23 -0.37 0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3h80 h GLU 10 Cb 0.24 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3h80 h GLU 10 CO -0.24 1.01 0.31 0.82 -1.40 0.00 0.00 179.01 179.51 3h80 h ILE 11 N 0.72 1.12 -0.46 3.13 2.04 -1.83 0.85 117.51 123.07 3h80 h ILE 11 Ca 0.09 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3h80 h ILE 11 Cb 0.81 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3h80 h ILE 11 CO 0.07 0.12 0.18 -1.13 0.00 0.00 0.00 178.15 177.39 3h80 h ASN 12 N 0.63 0.21 -0.63 1.72 -1.24 -0.89 -0.54 115.58 114.85 3h80 h ASN 12 Ca 0.17 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 3h80 h ASN 12 Cb -0.07 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 3h80 h ASN 12 CO -0.04 0.16 0.39 1.56 -1.29 0.00 0.00 177.43 178.21 3h80 h GLN 13 N 0.37 0.84 -0.45 6.67 4.20 -0.98 -1.93 115.11 123.83 3h80 h GLN 13 Ca 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3h80 h GLN 13 Cb 0.19 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3h80 h GLN 13 CO -0.20 0.59 0.27 1.25 -0.67 0.00 0.00 178.83 180.07 3h80 h LEU 14 N 0.85 0.54 -0.63 1.46 5.85 -0.45 -1.11 115.31 121.82 3h80 h LEU 14 Ca 0.23 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3h80 h LEU 14 Cb -0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3h80 h LEU 14 CO -0.04 0.44 0.37 0.24 -0.34 0.00 0.00 178.44 179.11 3h80 h MET 15 N 0.60 0.70 -0.42 1.25 2.86 -0.89 0.46 114.93 119.49 3h80 h MET 15 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3h80 h MET 15 Cb -0.00 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 3h80 h MET 15 CO -0.03 0.46 0.21 1.03 1.06 0.00 0.00 176.91 179.65 3h80 h SER 16 N 0.72 0.54 0.25 1.22 0.87 -1.21 0.94 113.55 116.88 3h80 h SER 16 Ca 0.26 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3h80 h SER 16 Cb 0.07 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 3h80 h SER 16 CO -0.13 0.51 -0.48 0.25 -0.53 0.00 0.00 176.83 176.45 3h80 h LEU 17 N 0.54 -1.38 -0.33 2.23 6.46 -0.82 -2.78 115.31 119.23 3h80 h LEU 17 Ca 0.15 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3h80 h LEU 17 Cb 0.10 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 3h80 h LEU 17 CO -0.02 -0.57 0.21 0.40 -0.62 0.00 0.00 178.44 177.84 3h80 h ILE 18 N -0.80 1.10 0.00 4.05 2.04 -0.73 -2.01 117.51 121.15 3h80 h ILE 18 Ca -0.02 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3h80 h ILE 18 Cb 0.77 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3h80 h ILE 18 CO -0.19 0.10 -0.06 -0.29 0.00 0.00 0.00 178.15 177.71 3h80 h ILE 19 N 0.44 0.18 0.00 -0.67 2.10 -0.82 -3.18 117.51 115.56 3h80 h ILE 19 Ca 0.12 -0.59 -0.03 0.00 1.08 0.00 0.00 64.86 65.44 3h80 h ILE 19 Cb -0.02 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 3h80 h ILE 19 CO -0.02 0.06 -2.02 0.59 -1.08 0.00 0.00 178.15 175.68 3h80 n ASN 20 N -3.21 0.09 -4.76 2.19 3.02 -1.05 -4.94 115.26 106.60 3h80 n ASN 20 Ca -0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3h80 n ASN 20 Cb 0.30 1.89 -0.03 0.00 -0.61 0.00 0.00 39.78 41.32 3h80 n ASN 20 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3h80 s THR 21 N -3.39 3.13 0.34 3.41 -1.32 -0.77 -5.03 115.64 112.00 3h80 s THR 21 Ca -0.08 1.11 -0.28 0.00 -1.21 0.00 0.00 61.69 61.23 3h80 s THR 21 Cb 0.13 -3.71 -0.09 0.00 -1.51 0.00 0.00 72.50 67.32 3h80 s THR 21 CO 0.89 0.25 1.16 0.12 -2.21 0.00 0.00 174.62 174.83 3h80 s PHE 22 N -0.98 3.29 -0.27 9.09 5.36 -1.26 -5.03 117.98 128.17 3h80 s PHE 22 Ca 0.48 1.59 -0.22 0.00 -0.96 0.00 0.00 56.93 57.83 3h80 s PHE 22 Cb -0.36 -3.39 0.08 0.00 -0.34 0.00 0.00 43.02 39.02 3h80 s PHE 22 CO 0.46 -1.05 0.73 -0.47 -1.46 0.00 0.00 175.22 173.43 3h80 s TYR 23 N -1.27 -0.86 -1.75 10.12 5.04 -1.26 -5.06 117.35 122.30 3h80 s TYR 23 Ca 0.50 1.94 0.28 0.00 -2.44 0.00 0.00 57.07 57.35 3h80 s TYR 23 Cb -0.32 0.41 0.99 0.00 0.35 0.00 0.00 41.96 43.38 3h80 s TYR 23 CO 0.42 -0.42 1.71 -1.13 -1.34 0.00 0.00 175.55 174.79 3h80 n SER 24 N 3.27 0.80 -2.56 4.32 3.41 -1.26 -4.29 113.62 117.31 3h80 n SER 24 Ca -0.16 -0.79 -0.19 0.00 -0.26 0.00 0.00 58.87 57.46 3h80 n SER 24 Cb 0.57 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 3h80 n SER 24 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h80 n ASN 25 N -0.74 3.33 0.00 4.04 5.15 -1.26 -4.94 115.26 120.85 3h80 n ASN 25 Ca 0.14 -3.30 0.07 0.00 -0.60 0.00 0.00 54.58 50.89 3h80 n ASN 25 Cb 0.32 -0.49 0.34 0.00 -0.53 0.00 0.00 39.78 39.41 3h80 n ASN 25 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3h80 n LYS 26 N -0.30 0.11 0.31 1.20 5.02 -1.26 -3.32 118.16 119.92 3h80 n LYS 26 Ca 0.26 0.20 0.19 0.00 -2.02 0.00 0.00 58.31 56.95 3h80 n LYS 26 Cb 0.73 -1.50 1.03 0.00 -0.02 0.00 0.00 35.03 35.27 3h80 n LYS 26 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3h80 h GLU 27 N 0.00 0.00 0.00 1.97 4.11 -1.96 -2.84 114.58 115.85 3h80 h GLU 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h80 h GLU 27 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3h80 h GLU 27 CO 0.00 0.02 0.01 -0.84 0.07 0.00 0.00 179.01 178.26 3h80 h ILE 28 N 0.00 0.00 -1.00 -1.06 -0.00 -1.97 -2.21 117.51 111.27 3h80 h ILE 28 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 64.86 64.95 3h80 h ILE 28 Cb 0.11 0.83 -0.08 0.00 -0.00 0.00 0.00 36.82 37.68 3h80 h ILE 28 CO 0.00 0.00 0.64 2.19 -0.00 0.00 0.00 178.15 180.98 3h80 h PHE 29 N 0.00 1.16 -0.32 0.16 -5.15 -1.78 -2.41 116.94 108.60 3h80 h PHE 29 Ca 0.00 0.03 -0.07 0.00 -0.20 0.00 0.00 57.97 57.73 3h80 h PHE 29 Cb 0.02 -0.37 -0.01 0.00 0.22 0.00 0.00 35.95 35.80 3h80 h PHE 29 CO 0.00 0.53 -0.08 1.25 -2.00 0.00 0.00 178.31 178.01 3h80 h LEU 30 N 1.07 0.64 -0.92 2.10 5.85 -1.67 -1.66 115.31 120.72 3h80 h LEU 30 Ca 0.46 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3h80 h LEU 30 Cb 0.34 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 3h80 h LEU 30 CO -0.22 0.86 0.55 -0.09 -0.34 0.00 0.00 178.44 179.20 3h80 h ARG 31 N 0.41 0.85 -0.50 1.25 2.43 -1.63 -1.36 114.38 115.82 3h80 h ARG 31 Ca 0.08 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3h80 h ARG 31 Cb 0.58 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 3h80 h ARG 31 CO 0.03 0.56 0.20 0.93 -1.51 0.00 0.00 179.97 180.18 3h80 h GLU 32 N 0.88 0.75 -0.29 0.20 4.39 -0.91 -1.24 114.58 118.37 3h80 h GLU 32 Ca 0.46 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.84 3h80 h GLU 32 Cb 0.46 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3h80 h GLU 32 CO -0.27 0.67 -0.52 -0.07 -1.16 0.00 0.00 179.01 177.67 3h80 h LEU 33 N 0.67 0.92 -0.72 1.33 3.38 -0.85 -2.13 115.31 117.91 3h80 h LEU 33 Ca 0.17 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3h80 h LEU 33 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3h80 h LEU 33 CO -0.01 1.26 0.08 0.40 0.09 0.00 0.00 178.44 180.27 3h80 h ILE 34 N 0.65 1.26 -0.72 1.22 2.04 -1.27 -1.58 117.51 119.12 3h80 h ILE 34 Ca 0.02 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 3h80 h ILE 34 Cb 1.11 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3h80 h ILE 34 CO 0.11 0.39 0.37 0.28 0.00 0.00 0.00 178.15 179.30 3h80 h SER 35 N 1.00 0.93 -0.60 1.72 0.02 -1.11 -0.67 113.55 114.83 3h80 h SER 35 Ca 0.19 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3h80 h SER 35 Cb 0.45 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3h80 h SER 35 CO 0.02 0.78 0.11 0.78 -1.14 0.00 0.00 176.83 177.37 3h80 h ASN 36 N 1.00 0.95 -0.19 3.07 2.35 -1.07 0.11 115.58 121.81 3h80 h ASN 36 Ca 0.25 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h80 h ASN 36 Cb 0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3h80 h ASN 36 CO -0.04 0.96 0.11 0.00 -1.65 0.00 0.00 177.43 176.82 3h80 h ALA 37 N 1.02 0.24 -0.52 -0.83 0.00 -0.96 -1.39 119.26 116.82 3h80 h ALA 37 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h80 h ALA 37 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3h80 h ALA 37 CO 0.01 -0.25 0.27 1.03 0.00 0.00 0.00 179.25 180.32 3h80 h SER 38 N 0.22 0.65 -0.63 0.00 0.87 -0.95 -1.10 113.55 112.61 3h80 h SER 38 Ca 0.07 -0.10 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3h80 h SER 38 Cb 0.04 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 61.76 3h80 h SER 38 CO -0.01 0.57 0.29 0.44 -0.53 0.00 0.00 176.83 177.58 3h80 h ASP 39 N 0.69 0.35 -0.53 6.23 3.32 -0.76 -0.57 116.42 125.14 3h80 h ASP 39 Ca 0.18 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3h80 h ASP 39 Cb 0.07 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3h80 h ASP 39 CO -0.03 0.21 0.10 0.00 -1.72 0.00 0.00 179.24 177.80 3h80 h ALA 40 N 1.39 1.08 -0.45 3.45 0.00 -0.81 -1.92 119.26 122.01 3h80 h ALA 40 Ca 0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3h80 h ALA 40 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h80 h ALA 40 CO -0.26 0.60 0.06 0.00 0.00 0.00 0.00 179.25 179.65 3h80 h ASP 42 N 0.61 0.05 -0.56 0.00 3.32 -0.86 -0.56 116.42 118.42 3h80 h ASP 42 Ca 0.13 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3h80 h ASP 42 Cb 0.40 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3h80 h ASP 42 CO 0.01 0.03 0.24 0.11 -1.72 0.00 0.00 179.24 177.92 3h80 h LYS 43 N 0.29 0.83 -0.10 3.56 1.57 -1.20 -0.89 116.57 120.63 3h80 h LYS 43 Ca 0.32 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.76 3h80 h LYS 43 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3h80 h LYS 43 CO -0.39 0.70 -0.78 0.97 -0.57 0.00 0.00 179.45 179.38 3h80 h ILE 44 N 0.77 1.34 0.01 1.86 6.09 -1.33 -2.55 117.51 123.69 3h80 h ILE 44 Ca 0.19 -2.11 0.03 0.00 -1.37 0.00 0.00 64.86 61.60 3h80 h ILE 44 Cb 0.17 2.10 -0.04 0.00 0.47 0.00 0.00 36.82 39.51 3h80 h ILE 44 CO -0.02 0.65 -0.22 -0.09 -3.07 0.00 0.00 178.15 175.40 3h80 h ARG 45 N 0.38 -0.34 -0.78 2.19 2.43 -0.81 0.90 114.38 118.35 3h80 h ARG 45 Ca -0.05 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3h80 h ARG 45 Cb 1.39 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.95 3h80 h ARG 45 CO 0.15 -0.23 0.46 1.88 -1.51 0.00 0.00 179.97 180.72 3h80 h TYR 46 N -0.35 0.85 -0.63 2.20 0.05 -1.21 -1.93 116.97 115.96 3h80 h TYR 46 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3h80 h TYR 46 Cb 0.42 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3h80 h TYR 46 CO -0.25 0.41 0.40 1.96 -1.05 0.00 0.00 178.16 179.63 3h80 h GLN 47 N 0.84 0.85 0.00 4.88 4.20 -1.00 -2.68 115.11 122.19 3h80 h GLN 47 Ca 0.35 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3h80 h GLN 47 Cb 0.20 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3h80 h GLN 47 CO -0.18 0.59 0.00 0.66 -0.67 0.00 0.00 178.83 179.22 3h80 h SER 48 N 0.86 0.00 0.45 1.46 4.64 -0.07 -0.76 113.55 120.12 3h80 h SER 48 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 3h80 h SER 48 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3h80 h SER 48 CO -0.05 0.00 -0.43 -0.07 -0.87 0.00 0.00 176.83 175.42 3h80 h LEU 49 N 0.00 0.00 0.00 5.97 3.38 -1.08 -2.45 115.31 121.13 3h80 h LEU 49 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3h80 h LEU 49 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3h80 h LEU 49 CO 0.00 0.43 -2.25 0.35 0.09 0.00 0.00 178.44 177.06 3h80 n THR 50 N -4.00 1.10 -3.46 0.22 -2.24 -0.88 -4.82 114.28 100.21 3h80 n THR 50 Ca -0.02 -0.78 -0.28 0.00 -2.27 0.00 0.00 64.05 60.70 3h80 n THR 50 Cb 0.46 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 3h80 n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h80 s ASP 51 N -5.32 2.57 0.60 3.42 2.15 -0.35 -5.02 116.67 114.72 3h80 s ASP 51 Ca -0.09 -2.48 0.30 0.00 0.43 0.00 0.00 52.55 50.71 3h80 s ASP 51 Cb 0.08 -0.45 1.75 0.00 -0.30 0.00 0.00 42.92 44.00 3h80 s ASP 51 CO 0.85 -0.26 2.15 -0.65 -0.17 0.00 0.00 175.17 177.08 3h80 h PRO 52 N 6.58 0.00 0.00 4.34 0.11 -1.68 -2.52 132.00 138.83 3h80 h PRO 52 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3h80 h PRO 52 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3h80 h PRO 52 CO 0.31 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.76 3h80 h SER 53 N 0.00 0.00 -0.09 -2.05 4.64 -1.95 -2.22 113.55 111.89 3h80 h SER 53 Ca 0.06 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3h80 h SER 53 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3h80 h SER 53 CO -0.00 0.00 0.23 -0.37 -0.87 0.00 0.00 176.83 175.82 3h80 h VAL 54 N 0.00 0.16 0.00 0.95 -1.51 -1.82 -1.74 116.25 112.29 3h80 h VAL 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3h80 h VAL 54 Cb 0.34 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 3h80 h VAL 54 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.27 3h80 h LEU 55 N 0.00 0.00 0.00 4.19 3.38 -1.65 -3.48 115.31 117.74 3h80 h LEU 55 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h80 h LEU 55 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3h80 h LEU 55 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h80 n GLY 56 N 1.10 2.93 0.74 0.83 0.00 -0.66 -1.22 105.19 108.92 3h80 n GLY 56 Ca 0.05 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3h80 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h80 n GLU 57 N 14.00 1.97 -3.17 1.61 4.71 -1.26 -4.51 120.64 133.99 3h80 n GLU 57 Ca 0.00 -1.47 -0.24 0.00 -0.01 0.00 0.00 57.16 55.44 3h80 n GLU 57 Cb 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 28.96 3h80 n GLU 57 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3h80 n SER 58 N 0.70 2.28 0.13 1.62 2.88 -0.35 -4.94 113.62 115.94 3h80 n SER 58 Ca 0.17 -3.21 0.13 0.00 -1.33 0.00 0.00 58.87 54.63 3h80 n SER 58 Cb 0.41 -0.62 0.34 0.00 -0.75 0.00 0.00 64.21 63.59 3h80 n SER 58 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3h80 h PRO 59 N 3.48 0.00 -6.02 -1.46 0.13 -1.79 -3.43 132.00 122.91 3h80 h PRO 59 Ca 0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.66 3h80 h PRO 59 Cb 0.76 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.78 3h80 h PRO 59 CO 0.65 0.00 0.69 0.50 -0.23 0.00 0.00 178.00 179.61 3h80 s ARG 60 N -3.13 3.35 -0.19 0.86 3.52 -1.26 -5.00 118.95 117.10 3h80 s ARG 60 Ca 0.10 -0.19 -0.25 0.00 -0.13 0.00 0.00 55.73 55.25 3h80 s ARG 60 Cb 0.10 -4.07 -0.01 0.00 -1.56 0.00 0.00 34.95 29.42 3h80 s ARG 60 CO 0.62 -1.60 0.84 -0.51 -0.81 0.00 0.00 175.30 173.84 3h80 s LEU 61 N 4.31 4.15 0.00 -0.88 1.43 -1.26 -4.97 118.68 121.46 3h80 s LEU 61 Ca 0.33 1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 3h80 s LEU 61 Cb -0.11 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 42.91 3h80 s LEU 61 CO 0.20 -0.44 0.69 0.00 0.23 0.00 0.00 176.35 177.03 3h80 s ILE 63 N -2.35 1.00 0.05 0.00 1.01 -0.59 -3.21 121.20 117.11 3h80 s ILE 63 Ca 0.21 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.45 3h80 s ILE 63 Cb -0.04 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3h80 s ILE 63 CO 0.15 0.30 -0.23 -0.13 0.00 0.00 0.00 174.94 175.03 3h80 s ARG 64 N 0.08 1.50 -0.14 2.79 0.52 -0.16 -0.81 118.95 122.74 3h80 s ARG 64 Ca -0.02 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 3h80 s ARG 64 Cb -0.09 -1.66 0.01 0.00 0.52 0.00 0.00 34.95 33.73 3h80 s ARG 64 CO 0.01 0.42 -0.21 0.08 0.02 0.00 0.00 175.30 175.62 3h80 s VAL 65 N -0.84 2.13 -0.34 3.52 1.01 -0.09 -0.89 120.40 124.91 3h80 s VAL 65 Ca 0.09 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 3h80 s VAL 65 Cb -0.09 -1.85 0.11 0.00 0.00 0.00 0.00 36.38 34.54 3h80 s VAL 65 CO 0.02 0.55 0.13 -0.69 0.00 0.00 0.00 175.10 175.11 3h80 s VAL 66 N 0.79 0.92 0.53 2.92 1.01 0.91 -0.92 120.40 126.57 3h80 s VAL 66 Ca -0.07 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.10 3h80 s VAL 66 Cb -0.16 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3h80 s VAL 66 CO -0.01 -0.74 1.04 -2.16 0.00 0.00 0.00 175.10 173.23 3h80 s PRO 67 N 1.36 3.63 -0.38 2.72 0.04 -1.26 -1.16 135.00 139.94 3h80 s PRO 67 Ca 0.12 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.41 3h80 s PRO 67 Cb -0.19 -2.08 0.15 0.00 0.04 0.00 0.00 34.50 32.43 3h80 s PRO 67 CO -0.19 -0.56 0.33 0.34 0.04 0.00 0.00 177.00 176.96 3h80 s ASP 68 N -2.49 1.67 0.29 6.66 -1.08 0.17 -4.80 116.67 117.09 3h80 s ASP 68 Ca 0.64 -2.02 0.02 0.00 -0.52 0.00 0.00 52.55 50.67 3h80 s ASP 68 Cb -0.15 0.16 0.58 0.00 -1.46 0.00 0.00 42.92 42.05 3h80 s ASP 68 CO 0.29 -0.25 1.84 0.11 0.52 0.00 0.00 175.17 177.68 3h80 h LYS 69 N 6.72 0.94 -0.19 4.34 1.57 -1.87 0.13 116.57 128.21 3h80 h LYS 69 Ca 0.09 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3h80 h LYS 69 Cb 1.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3h80 h LYS 69 CO 0.23 0.62 0.06 1.49 -0.57 0.00 0.00 179.45 181.29 3h80 h GLU 70 N 0.97 0.15 -0.01 3.15 4.81 -1.96 -3.03 114.58 118.66 3h80 h GLU 70 Ca 0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 3h80 h GLU 70 Cb 0.51 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3h80 h GLU 70 CO -0.26 0.10 -0.27 0.09 -0.73 0.00 0.00 179.01 177.95 3h80 n ASN 71 N -5.05 1.20 -3.76 1.04 3.02 -1.09 -4.96 115.26 105.67 3h80 n ASN 71 Ca -0.03 -1.02 -0.23 0.00 -0.03 0.00 0.00 54.58 53.27 3h80 n ASN 71 Cb 0.07 0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3h80 n ASN 71 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3h80 n LYS 72 N -0.50 -4.83 -4.34 3.52 5.02 0.37 -4.90 118.16 112.50 3h80 n LYS 72 Ca 0.12 0.59 -0.23 0.00 -2.02 0.00 0.00 58.31 56.77 3h80 n LYS 72 Cb 0.37 -5.16 -0.13 0.00 -0.02 0.00 0.00 35.03 30.09 3h80 n LYS 72 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h80 s THR 73 N -3.65 1.61 -0.08 -0.18 -4.23 -0.79 -1.60 115.64 106.72 3h80 s THR 73 Ca 0.09 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 3h80 s THR 73 Cb -0.05 -1.46 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 3h80 s THR 73 CO 0.82 -0.02 -0.23 -0.22 -0.54 0.00 0.00 174.62 174.42 3h80 s LEU 74 N -1.71 2.05 -0.05 4.79 2.96 -0.71 -0.66 118.68 125.36 3h80 s LEU 74 Ca 0.05 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3h80 s LEU 74 Cb -0.10 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 3h80 s LEU 74 CO 0.03 0.18 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.12 3h80 s THR 75 N 0.20 1.91 -0.22 3.68 2.01 -0.31 -0.62 115.64 122.28 3h80 s THR 75 Ca -0.14 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 3h80 s THR 75 Cb -0.16 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3h80 s THR 75 CO 0.07 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 3h80 s VAL 76 N -0.20 2.66 0.05 3.82 1.01 -0.23 -0.06 120.40 127.45 3h80 s VAL 76 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3h80 s VAL 76 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3h80 s VAL 76 CO 0.03 0.33 -0.19 -1.61 0.00 0.00 0.00 175.10 173.65 3h80 s GLU 77 N 1.32 2.01 0.15 2.72 2.02 -0.07 -1.03 118.70 125.83 3h80 s GLU 77 Ca 0.02 -1.02 -0.00 0.00 0.02 0.00 0.00 54.97 53.99 3h80 s GLU 77 Cb -0.15 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3h80 s GLU 77 CO -0.07 0.53 0.05 0.16 0.02 0.00 0.00 175.26 175.95 3h80 s ASP 78 N -1.50 0.63 -0.43 -0.19 1.47 -0.20 -0.98 116.67 115.47 3h80 s ASP 78 Ca 0.15 -1.22 0.04 0.00 1.18 0.00 0.00 52.55 52.70 3h80 s ASP 78 Cb -0.10 0.24 0.46 0.00 -0.34 0.00 0.00 42.92 43.17 3h80 s ASP 78 CO 0.05 -0.69 1.52 -0.46 0.68 0.00 0.00 175.17 176.28 3h80 n ASN 79 N -0.17 5.83 -3.22 2.11 6.94 -1.20 -2.06 115.26 123.50 3h80 n ASN 79 Ca -0.05 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 50.74 3h80 n ASN 79 Cb 0.64 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 3h80 n ASN 79 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h80 n GLY 80 N -0.81 -1.02 0.26 4.83 0.00 -1.26 -4.70 105.19 102.48 3h80 n GLY 80 Ca 0.51 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 45.14 3h80 n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h80 h ILE 81 N -0.17 0.69 -1.11 -0.61 2.10 -1.07 -3.31 117.51 114.03 3h80 h ILE 81 Ca 0.00 -0.47 0.12 0.00 1.08 0.00 0.00 64.86 65.59 3h80 h ILE 81 Cb 0.00 1.29 -0.05 0.00 -1.09 0.00 0.00 36.82 36.97 3h80 h ILE 81 CO 0.00 0.11 -0.29 0.61 -1.08 0.00 0.00 178.15 177.50 3h80 n GLY 82 N -0.86 -2.15 3.14 8.18 0.00 -1.26 -4.26 105.19 107.97 3h80 n GLY 82 Ca -0.02 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 3h80 n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h80 s MET 83 N -2.38 2.64 1.13 1.61 -1.94 -1.26 -4.65 119.30 114.45 3h80 s MET 83 Ca 0.00 -0.72 -0.13 0.00 -1.71 0.00 0.00 55.69 53.13 3h80 s MET 83 Cb 0.00 -2.11 0.26 0.00 2.01 0.00 0.00 34.83 35.00 3h80 s MET 83 CO 0.00 0.04 1.04 0.95 -0.01 0.00 0.00 175.02 177.04 3h80 s THR 84 N 0.69 1.98 0.18 2.05 -4.23 -1.26 -4.12 115.64 110.94 3h80 s THR 84 Ca -0.12 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.25 3h80 s THR 84 Cb -0.16 -2.21 0.10 0.00 1.34 0.00 0.00 72.50 71.57 3h80 s THR 84 CO 0.02 0.00 1.70 0.50 -0.54 0.00 0.00 174.62 176.31 3h80 h LYS 85 N -2.46 0.17 -0.83 3.99 3.64 -1.96 -1.93 116.57 117.19 3h80 h LYS 85 Ca -0.60 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.77 3h80 h LYS 85 Cb 1.34 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3h80 h LYS 85 CO 0.53 0.11 0.52 0.00 -2.27 0.00 0.00 179.45 178.33 3h80 h ALA 86 N 1.38 1.06 -0.50 5.00 0.00 -2.00 -2.09 119.26 122.11 3h80 h ALA 86 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3h80 h ALA 86 Cb 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3h80 h ALA 86 CO -0.34 0.51 0.31 -0.44 0.00 0.00 0.00 179.25 179.29 3h80 h ASP 87 N 1.14 0.51 -0.30 0.00 3.32 -1.80 -0.08 116.42 119.21 3h80 h ASP 87 Ca 0.30 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.35 3h80 h ASP 87 Cb -0.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3h80 h ASP 87 CO -0.06 0.36 0.19 -0.07 -1.72 0.00 0.00 179.24 177.94 3h80 h LEU 88 N 0.62 0.32 -0.18 1.55 3.38 -0.97 0.15 115.31 120.18 3h80 h LEU 88 Ca 0.20 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3h80 h LEU 88 Cb -0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3h80 h LEU 88 CO -0.08 0.23 -0.29 0.58 0.09 0.00 0.00 178.44 178.98 3h80 h VAL 89 N 0.39 1.34 -0.09 1.22 2.07 -1.21 -2.23 116.25 117.74 3h80 h VAL 89 Ca 0.11 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 3h80 h VAL 89 Cb -0.03 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3h80 h VAL 89 CO -0.03 0.46 -0.15 0.78 0.02 0.00 0.00 177.57 178.64 3h80 h ASN 90 N 0.17 0.29 0.75 0.57 2.35 -1.01 -2.81 115.58 115.89 3h80 h ASN 90 Ca 0.02 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.21 3h80 h ASN 90 Cb 0.87 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 3h80 h ASN 90 CO 0.07 0.78 -1.26 0.59 -1.65 0.00 0.00 177.43 175.95 3h80 n ASN 91 N -4.59 0.65 -2.36 5.81 3.02 0.52 -2.94 115.26 115.37 3h80 n ASN 91 Ca -0.07 0.25 -0.27 0.00 -0.03 0.00 0.00 54.58 54.46 3h80 n ASN 91 Cb 0.38 0.78 0.01 0.00 -0.61 0.00 0.00 39.78 40.34 3h80 n ASN 91 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h80 n LEU 92 N -2.60 5.00 0.00 3.41 4.77 -0.84 -4.92 117.00 121.82 3h80 n LEU 92 Ca -0.02 -5.04 0.00 0.00 -0.03 0.00 0.00 56.01 50.92 3h80 n LEU 92 Cb 0.58 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3h80 n LEU 92 CO 0.42 2.16 0.00 0.61 -1.33 0.00 0.00 177.39 179.24 3h80 n GLY 93 N -0.56 0.52 0.03 -0.72 0.00 -1.24 -4.88 105.19 98.34 3h80 n GLY 93 Ca 0.42 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.51 3h80 n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h80 n THR 94 N 0.00 0.00 -4.60 2.61 -2.24 -1.06 -0.72 114.28 108.27 3h80 n THR 94 Ca 0.00 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 3h80 n THR 94 Cb 0.00 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.10 3h80 n THR 94 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3h80 s ILE 95 N -2.36 2.79 -0.06 2.28 1.01 -1.15 -4.57 121.20 119.14 3h80 s ILE 95 Ca 0.06 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3h80 s ILE 95 Cb 0.11 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3h80 s ILE 95 CO 0.59 0.52 -0.15 0.00 0.00 0.00 0.00 174.94 175.90 3h80 s ALA 96 N 0.68 2.61 0.53 9.38 0.00 -1.26 -4.94 121.76 128.77 3h80 s ALA 96 Ca -0.07 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 50.97 3h80 s ALA 96 Cb -0.16 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.05 3h80 s ALA 96 CO 0.02 0.51 0.73 1.03 0.00 0.00 0.00 175.76 178.05 3h80 s ARG 97 N -0.58 2.48 0.65 0.00 3.00 -1.26 -4.99 118.95 118.26 3h80 s ARG 97 Ca 0.08 -1.20 0.43 0.00 0.00 0.00 0.00 55.73 55.04 3h80 s ARG 97 Cb -0.11 -2.61 2.31 0.00 0.00 0.00 0.00 34.95 34.54 3h80 s ARG 97 CO 0.01 -0.68 2.32 0.66 0.00 0.00 0.00 175.30 177.62 3h80 h SER 98 N 0.23 0.00 -0.68 0.23 4.64 -2.00 -2.56 113.55 113.42 3h80 h SER 98 Ca -0.38 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3h80 h SER 98 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 3h80 h SER 98 CO 0.45 0.00 0.45 1.23 -0.87 0.00 0.00 176.83 178.09 3h80 h GLY 99 N 0.21 0.89 0.83 -0.77 0.00 -1.94 -2.29 103.07 99.99 3h80 h GLY 99 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3h80 h GLY 99 CO 0.00 0.22 -0.29 -0.84 0.00 0.00 0.00 176.54 175.63 3h80 h THR 100 N 0.72 0.40 -0.36 4.70 2.02 -1.63 0.44 112.91 119.20 3h80 h THR 100 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.46 3h80 h THR 100 Cb 0.22 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3h80 h THR 100 CO -0.09 0.00 0.18 0.50 0.37 0.00 0.00 175.52 176.48 3h80 h LYS 101 N -0.70 0.51 -0.54 6.66 1.63 -1.74 -2.88 116.57 119.52 3h80 h LYS 101 Ca -0.04 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3h80 h LYS 101 Cb 0.59 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 3h80 h LYS 101 CO 0.03 0.45 0.24 0.00 -3.45 0.00 0.00 179.45 176.72 3h80 h ALA 102 N 1.04 0.69 -0.50 5.00 0.00 -1.31 -0.95 119.26 123.22 3h80 h ALA 102 Ca 0.12 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3h80 h ALA 102 Cb 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3h80 h ALA 102 CO -0.02 -0.13 0.23 0.35 0.00 0.00 0.00 179.25 179.69 3h80 h PHE 103 N 0.46 0.42 -0.41 0.00 3.57 -0.80 0.31 116.94 120.50 3h80 h PHE 103 Ca 0.25 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3h80 h PHE 103 Cb 0.21 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3h80 h PHE 103 CO -0.12 0.19 0.13 0.52 -2.23 0.00 0.00 178.31 176.80 3h80 h MET 104 N 0.45 0.63 -1.01 1.11 2.86 -1.25 -0.57 114.93 117.16 3h80 h MET 104 Ca 0.23 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3h80 h MET 104 Cb 0.17 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 3h80 h MET 104 CO -0.18 0.62 0.66 0.93 1.06 0.00 0.00 176.91 179.99 3h80 h GLU 105 N 0.52 1.18 -0.55 1.72 5.08 -0.78 -0.27 114.58 121.49 3h80 h GLU 105 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3h80 h GLU 105 Cb 0.25 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3h80 h GLU 105 CO -0.01 0.78 0.32 0.00 -1.00 0.00 0.00 179.01 179.10 3h80 h ALA 106 N 1.44 0.70 -0.41 3.43 0.00 0.02 -2.56 119.26 121.87 3h80 h ALA 106 Ca 0.42 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 3h80 h ALA 106 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h80 h ALA 106 CO -0.16 0.20 -0.25 -0.07 0.00 0.00 0.00 179.25 178.97 3h80 h LEU 107 N 0.73 0.94 -2.69 0.00 3.38 -0.60 0.16 115.31 117.23 3h80 h LEU 107 Ca 0.19 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3h80 h LEU 107 Cb 0.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3h80 h LEU 107 CO -0.03 1.15 0.02 -0.33 0.09 0.00 0.00 178.44 179.34 3h80 h GLU 108 N 0.72 0.00 -0.59 1.13 5.08 -0.97 -1.66 114.58 118.28 3h80 h GLU 108 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3h80 h GLU 108 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3h80 h GLU 108 CO 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3h80 n ALA 109 N -2.02 2.76 -2.16 3.43 0.00 -0.97 -4.94 120.51 116.61 3h80 n ALA 109 Ca -0.03 -1.51 -0.07 0.00 0.00 0.00 0.00 53.44 51.83 3h80 n ALA 109 Cb 0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 3h80 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h80 n GLY 110 N 1.04 0.10 3.93 0.00 0.00 -0.63 -5.05 105.19 104.57 3h80 n GLY 110 Ca 0.23 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3h80 n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h80 s GLY 111 N -2.70 1.73 -0.17 -0.02 0.00 0.54 -5.00 107.32 101.71 3h80 s GLY 111 Ca 0.01 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 3h80 s GLY 111 CO 0.01 -0.41 0.11 -0.35 0.00 0.00 0.00 173.10 172.46 3h80 s ASP 112 N -4.80 6.08 0.39 1.64 2.15 -1.26 -4.60 116.67 116.27 3h80 s ASP 112 Ca 0.70 0.26 0.10 0.00 0.43 0.00 0.00 52.55 54.05 3h80 s ASP 112 Cb -0.06 -2.02 0.89 0.00 -0.30 0.00 0.00 42.92 41.43 3h80 s ASP 112 CO 0.51 0.26 1.94 -0.03 -0.17 0.00 0.00 175.17 177.68 3h80 h MET 113 N 6.09 0.58 0.00 4.34 1.85 -1.98 0.38 114.93 126.18 3h80 h MET 113 Ca -0.45 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.61 3h80 h MET 113 Cb 1.18 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 33.08 3h80 h MET 113 CO 0.68 0.38 0.00 -1.13 -0.40 0.00 0.00 176.91 176.44 3h80 n SER 114 N -4.49 0.00 -0.09 1.39 3.41 -1.26 -1.43 113.62 111.15 3h80 n SER 114 Ca 0.12 0.25 0.15 0.00 -0.26 0.00 0.00 58.87 59.13 3h80 n SER 114 Cb 0.36 -0.29 0.70 0.00 -0.26 0.00 0.00 64.21 64.72 3h80 n SER 114 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3h80 n MET 115 N -1.29 0.74 -0.33 4.33 2.81 0.12 -4.47 117.12 119.03 3h80 n MET 115 Ca 0.01 -0.18 0.15 0.00 -1.81 0.00 0.00 57.70 55.87 3h80 n MET 115 Cb 0.02 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.37 3h80 n MET 115 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3h80 h ILE 116 N 0.44 0.58 -0.12 2.02 2.10 -1.43 0.13 117.51 121.23 3h80 h ILE 116 Ca 0.00 -0.20 -0.04 0.00 1.08 0.00 0.00 64.86 65.69 3h80 h ILE 116 Cb 0.28 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.94 3h80 h ILE 116 CO 0.00 0.11 -0.12 1.23 -1.08 0.00 0.00 178.15 178.29 3h80 h GLY 117 N 0.59 0.20 2.00 8.18 0.00 -1.86 -2.28 103.07 109.91 3h80 h GLY 117 Ca 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3h80 h GLY 117 CO -0.45 0.11 0.00 1.46 0.00 0.00 0.00 176.54 177.66 3h80 h GLN 118 N 0.18 0.00 -0.33 4.80 4.20 -1.07 -3.05 115.11 119.83 3h80 h GLN 118 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3h80 h GLN 118 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3h80 h GLN 118 CO 0.02 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 3h80 n PHE 119 N -2.84 0.42 -0.91 2.96 3.72 -0.86 -4.97 117.46 114.99 3h80 n PHE 119 Ca 0.01 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 3h80 n PHE 119 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3h80 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h80 n GLY 120 N 1.45 0.50 0.73 1.37 0.00 -1.15 -4.23 105.19 103.85 3h80 n GLY 120 Ca 0.19 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3h80 n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h80 n VAL 121 N -2.91 1.53 -0.33 1.61 0.24 -1.22 -4.91 118.33 112.35 3h80 n VAL 121 Ca 0.00 -2.42 0.14 0.00 -2.04 0.00 0.00 64.34 60.02 3h80 n VAL 121 Cb 0.00 0.09 0.32 0.00 -1.47 0.00 0.00 33.84 32.78 3h80 n VAL 121 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3h80 h GLY 122 N 0.81 1.69 0.25 7.63 0.00 -1.84 -2.57 103.07 109.03 3h80 h GLY 122 Ca -0.05 -0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.18 3h80 h GLY 122 CO 0.02 -0.18 0.62 -2.75 0.00 0.00 0.00 176.54 174.25 3h80 h PHE 123 N 0.57 1.06 0.00 5.60 3.57 -1.90 -2.07 116.94 123.76 3h80 h PHE 123 Ca 0.58 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.11 3h80 h PHE 123 Cb 1.02 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3h80 h PHE 123 CO -0.06 0.30 0.00 0.66 -2.23 0.00 0.00 178.31 176.98 3h80 n TYR 124 N -4.70 0.81 0.03 0.41 4.01 -0.97 -2.48 117.16 114.26 3h80 n TYR 124 Ca 0.22 0.32 0.22 0.00 -0.16 0.00 0.00 57.90 58.50 3h80 n TYR 124 Cb 0.51 -1.02 0.71 0.00 -0.31 0.00 0.00 39.34 39.23 3h80 n TYR 124 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3h80 h SER 125 N 0.00 0.00 -0.84 7.72 4.64 -1.53 -1.79 113.55 121.74 3h80 h SER 125 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 3h80 h SER 125 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 3h80 h SER 125 CO 0.00 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.55 3h80 h ALA 126 N 1.41 2.57 0.00 5.18 0.00 -1.71 0.35 119.26 127.06 3h80 h ALA 126 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h80 h ALA 126 Cb 1.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h80 h ALA 126 CO -0.00 -0.82 0.00 0.66 0.00 0.00 0.00 179.25 179.09 3h80 n TYR 127 N -4.37 0.00 -0.16 0.00 4.01 -0.67 -1.24 117.16 114.72 3h80 n TYR 127 Ca 0.17 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.83 3h80 n TYR 127 Cb 0.81 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3h80 n TYR 127 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3h80 h LEU 128 N 0.00 0.68 0.00 7.72 3.38 -1.11 -3.36 115.31 122.63 3h80 h LEU 128 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3h80 h LEU 128 Cb 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3h80 h LEU 128 CO 0.00 0.71 -1.00 1.33 0.09 0.00 0.00 178.44 179.56 3h80 n VAL 129 N -4.53 0.00 -4.37 1.22 0.24 -1.00 -4.99 118.33 104.90 3h80 n VAL 129 Ca 0.01 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.34 61.81 3h80 n VAL 129 Cb 0.19 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.10 3h80 n VAL 129 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h80 s ALA 130 N -2.48 2.05 -1.00 2.33 0.00 -0.38 -1.21 121.76 121.08 3h80 s ALA 130 Ca 0.01 -1.33 0.14 0.00 0.00 0.00 0.00 51.96 50.78 3h80 s ALA 130 Cb 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 3h80 s ALA 130 CO 0.53 0.44 0.69 -0.40 0.00 0.00 0.00 175.76 177.02 3h80 n ASP 131 N 1.09 1.10 -3.78 0.00 5.68 -0.34 -4.45 116.55 115.85 3h80 n ASP 131 Ca -0.19 -1.05 -0.13 0.00 -0.50 0.00 0.00 54.79 52.93 3h80 n ASP 131 Cb 0.53 0.72 -0.10 0.00 -1.14 0.00 0.00 41.12 41.13 3h80 n ASP 131 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3h80 s ARG 132 N -2.00 0.46 -0.03 0.11 3.52 -1.24 -4.48 118.95 115.29 3h80 s ARG 132 Ca 0.09 0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.89 3h80 s ARG 132 Cb 0.11 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.71 3h80 s ARG 132 CO 0.45 -0.09 -0.12 0.08 -0.81 0.00 0.00 175.30 174.82 3h80 s VAL 133 N -0.41 0.99 -0.11 7.11 1.01 -0.75 -0.80 120.40 127.45 3h80 s VAL 133 Ca -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3h80 s VAL 133 Cb -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.50 3h80 s VAL 133 CO 0.02 0.30 -0.14 -0.89 0.00 0.00 0.00 175.10 174.38 3h80 s THR 134 N 0.06 1.43 -0.24 3.92 2.01 -0.47 -1.89 115.64 120.47 3h80 s THR 134 Ca -0.02 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 61.38 3h80 s THR 134 Cb -0.09 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.12 3h80 s THR 134 CO 0.01 0.43 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.60 3h80 s VAL 135 N 1.10 2.82 -0.21 3.82 1.01 -0.05 -0.33 120.40 128.55 3h80 s VAL 135 Ca -0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3h80 s VAL 135 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3h80 s VAL 135 CO -0.03 0.26 0.02 -0.89 0.00 0.00 0.00 175.10 174.46 3h80 s THR 136 N 1.33 4.13 0.02 3.92 2.01 -0.35 0.52 115.64 127.22 3h80 s THR 136 Ca 0.01 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3h80 s THR 136 Cb -0.16 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3h80 s THR 136 CO -0.05 0.41 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.71 3h80 s SER 137 N 1.06 0.29 -0.06 3.53 0.15 -0.62 -0.27 113.70 117.78 3h80 s SER 137 Ca 0.03 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 3h80 s SER 137 Cb -0.14 0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 3h80 s SER 137 CO 0.02 -0.24 0.06 -0.75 1.20 0.00 0.00 173.24 173.54 3h80 s LYS 138 N -1.23 -0.04 0.04 5.44 2.47 0.11 -1.81 119.74 124.73 3h80 s LYS 138 Ca -0.12 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 54.61 3h80 s LYS 138 Cb -0.08 -0.73 -0.04 0.00 -1.46 0.00 0.00 37.83 35.52 3h80 s LYS 138 CO -0.01 -0.38 0.05 1.21 0.16 0.00 0.00 175.35 176.39 3h80 s ASN 139 N 2.16 5.42 0.48 1.43 3.84 -1.26 -1.12 114.94 125.89 3h80 s ASN 139 Ca 0.05 0.01 0.21 0.00 0.21 0.00 0.00 52.86 53.34 3h80 s ASN 139 Cb -0.13 -1.46 1.23 0.00 -0.55 0.00 0.00 41.25 40.35 3h80 s ASN 139 CO -0.04 0.22 1.95 0.78 -2.79 0.00 0.00 177.10 177.22 3h80 h ASN 140 N 3.74 0.20 -0.17 -4.21 2.35 -1.93 -1.89 115.58 113.67 3h80 h ASN 140 Ca -0.48 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3h80 h ASN 140 Cb 1.17 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3h80 h ASN 140 CO 0.62 0.10 0.00 -1.54 -1.65 0.00 0.00 177.43 174.97 3h80 n SER 141 N -4.42 1.50 -3.41 5.81 3.41 -1.26 -4.95 113.62 110.30 3h80 n SER 141 Ca 0.13 -1.71 -0.13 0.00 -0.26 0.00 0.00 58.87 56.90 3h80 n SER 141 Cb 0.60 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 3h80 n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h80 s ASP 142 N -1.51 0.57 0.81 4.04 -1.08 -0.71 -5.09 116.67 113.70 3h80 s ASP 142 Ca 0.31 -1.33 -0.10 0.00 -0.52 0.00 0.00 52.55 50.91 3h80 s ASP 142 Cb 0.16 0.66 0.11 0.00 -1.46 0.00 0.00 42.92 42.39 3h80 s ASP 142 CO 0.24 -1.29 1.14 -1.61 0.52 0.00 0.00 175.17 174.18 3h80 s GLU 143 N -3.22 1.65 0.23 4.34 0.41 -1.26 -4.47 118.70 116.38 3h80 s GLU 143 Ca 0.27 -0.27 -0.24 0.00 -0.41 0.00 0.00 54.97 54.32 3h80 s GLU 143 Cb -0.01 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 30.22 3h80 s GLU 143 CO 0.17 -1.68 0.82 -1.54 -0.49 0.00 0.00 175.26 172.53 3h80 s SER 144 N -4.66 7.29 0.10 -0.19 1.04 -1.26 -4.55 113.70 111.48 3h80 s SER 144 Ca 0.65 1.65 0.03 0.00 0.48 0.00 0.00 55.95 58.76 3h80 s SER 144 Cb -0.08 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3h80 s SER 144 CO 0.48 0.07 -0.08 -0.31 0.98 0.00 0.00 173.24 174.38 3h80 s TYR 145 N -1.40 1.00 -0.16 5.02 2.02 -0.75 -4.65 117.35 118.42 3h80 s TYR 145 Ca 0.42 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3h80 s TYR 145 Cb -0.20 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 3h80 s TYR 145 CO 0.24 -0.06 -0.18 0.08 -1.57 0.00 0.00 175.55 174.07 3h80 s VAL 146 N -3.06 2.32 -0.05 0.71 1.01 -0.36 -1.59 120.40 119.38 3h80 s VAL 146 Ca 0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3h80 s VAL 146 Cb 0.01 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3h80 s VAL 146 CO -0.02 0.53 0.30 0.86 0.00 0.00 0.00 175.10 176.77 3h80 s TRP 147 N 1.04 3.68 -0.10 5.22 -0.00 0.19 -0.71 118.94 128.25 3h80 s TRP 147 Ca -0.01 0.81 -0.09 0.00 -0.00 0.00 0.00 56.10 56.80 3h80 s TRP 147 Cb -0.14 -2.15 0.03 0.00 -0.00 0.00 0.00 33.47 31.20 3h80 s TRP 147 CO -0.05 0.68 0.28 -2.00 -0.00 0.00 0.00 176.95 175.85 3h80 s GLU 148 N -1.05 0.32 -0.17 5.86 2.12 -0.20 -0.87 118.70 124.70 3h80 s GLU 148 Ca 0.20 0.39 -0.18 0.00 0.36 0.00 0.00 54.97 55.74 3h80 s GLU 148 Cb -0.15 0.15 0.05 0.00 0.26 0.00 0.00 34.13 34.44 3h80 s GLU 148 CO 0.10 -0.04 0.50 0.45 -0.54 0.00 0.00 175.26 175.73 3h80 s SER 149 N 0.18 -0.51 -0.27 -1.70 0.15 -0.79 -0.52 113.70 110.24 3h80 s SER 149 Ca -0.00 0.94 0.12 0.00 0.70 0.00 0.00 55.95 57.71 3h80 s SER 149 Cb -0.02 0.96 0.58 0.00 -1.71 0.00 0.00 66.02 65.83 3h80 s SER 149 CO 0.00 -0.22 1.56 -1.20 1.20 0.00 0.00 173.24 174.58 3h80 n SER 150 N 2.60 3.60 -2.41 5.45 7.64 -1.26 -1.80 113.62 127.44 3h80 n SER 150 Ca -0.14 -3.36 -0.19 0.00 1.01 0.00 0.00 58.87 56.19 3h80 n SER 150 Cb 0.56 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 3h80 n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h80 n ALA 151 N -0.69 -0.73 0.01 -0.43 0.00 -1.26 -4.88 120.51 112.53 3h80 n ALA 151 Ca 0.32 0.21 0.08 0.00 0.00 0.00 0.00 53.44 54.06 3h80 n ALA 151 Cb 1.10 -2.92 0.27 0.00 0.00 0.00 0.00 19.45 17.90 3h80 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h80 n GLY 152 N -1.28 1.93 0.00 0.00 0.00 -1.26 -4.76 105.19 99.83 3h80 n GLY 152 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3h80 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h80 n GLY 153 N 1.18 0.56 3.19 -0.02 0.00 -1.26 -5.07 105.19 103.78 3h80 n GLY 153 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3h80 n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h80 s THR 154 N -2.00 0.45 0.15 2.61 -4.23 -1.26 -1.89 115.64 109.47 3h80 s THR 154 Ca 0.00 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3h80 s THR 154 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 3h80 s THR 154 CO 0.00 -0.54 -0.07 0.72 -0.54 0.00 0.00 174.62 174.18 3h80 s PHE 155 N -3.80 1.21 0.12 3.99 -0.12 -0.52 -4.55 117.98 114.30 3h80 s PHE 155 Ca 0.22 -0.83 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 3h80 s PHE 155 Cb 0.07 -0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 41.77 3h80 s PHE 155 CO 0.01 -0.00 -0.13 0.95 -0.05 0.00 0.00 175.22 176.00 3h80 s THR 156 N -3.43 3.16 -0.19 -4.49 -4.23 0.32 -1.01 115.64 105.77 3h80 s THR 156 Ca 0.17 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3h80 s THR 156 Cb 0.04 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.42 3h80 s THR 156 CO 0.01 0.07 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.35 3h80 s ILE 157 N -1.27 2.22 -0.10 2.99 -1.09 0.38 -1.04 121.20 123.30 3h80 s ILE 157 Ca 0.21 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 3h80 s ILE 157 Cb -0.11 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3h80 s ILE 157 CO 0.13 0.48 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.31 3h80 s THR 158 N 1.29 3.22 0.04 2.92 2.01 0.11 -0.52 115.64 124.72 3h80 s THR 158 Ca 0.04 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3h80 s THR 158 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 3h80 s THR 158 CO -0.11 0.55 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.67 3h80 s SER 159 N -0.13 1.80 0.04 3.53 0.15 0.11 -1.23 113.70 117.97 3h80 s SER 159 Ca -0.00 -0.45 0.05 0.00 0.70 0.00 0.00 55.95 56.25 3h80 s SER 159 Cb -0.13 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 3h80 s SER 159 CO 0.03 0.07 -0.16 0.42 1.20 0.00 0.00 173.24 174.80 3h80 s THR 160 N -0.80 1.25 0.21 6.45 -4.23 -1.26 -0.77 115.64 116.50 3h80 s THR 160 Ca 0.03 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3h80 s THR 160 Cb -0.08 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 3h80 s THR 160 CO 0.01 0.05 1.56 1.55 -0.54 0.00 0.00 174.62 177.25 3h80 h PRO 161 N 4.91 0.54 -4.61 3.99 0.13 -1.91 -3.19 132.00 131.87 3h80 h PRO 161 Ca -0.39 -0.30 -0.71 0.00 -0.87 0.00 0.00 66.00 63.72 3h80 h PRO 161 Cb 1.17 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.12 3h80 h PRO 161 CO 0.44 0.90 -0.24 -1.21 -0.23 0.00 0.00 178.00 177.66 3h80 s GLU 162 N -4.13 3.04 0.26 0.86 2.02 -1.26 -5.05 118.70 114.44 3h80 s GLU 162 Ca -0.07 -1.05 0.11 0.00 0.02 0.00 0.00 54.97 53.97 3h80 s GLU 162 Cb 0.12 -4.06 -0.05 0.00 0.10 0.00 0.00 34.13 30.24 3h80 s GLU 162 CO 0.83 -0.98 -0.10 -1.54 0.02 0.00 0.00 175.26 173.49 3h80 s SER 163 N 2.27 4.11 0.69 -0.19 1.04 -1.21 -5.11 113.70 115.30 3h80 s SER 163 Ca 0.08 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.55 3h80 s SER 163 Cb -0.21 -0.60 0.01 0.00 0.10 0.00 0.00 66.02 65.33 3h80 s SER 163 CO 0.10 0.03 1.24 -0.90 0.98 0.00 0.00 173.24 174.69 3h80 n ASP 164 N -0.68 1.69 -0.27 7.02 5.68 -1.26 -4.92 116.55 123.81 3h80 n ASP 164 Ca -0.06 0.76 0.07 0.00 -0.50 0.00 0.00 54.79 55.06 3h80 n ASP 164 Cb 0.59 -1.53 -0.02 0.00 -1.14 0.00 0.00 41.12 39.02 3h80 n ASP 164 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3h80 n MET 165 N -2.23 1.89 -2.46 0.11 2.81 -1.26 -4.45 117.12 111.53 3h80 n MET 165 Ca 0.15 -0.62 -0.43 0.00 -1.81 0.00 0.00 57.70 55.00 3h80 n MET 165 Cb 0.49 -1.22 -0.02 0.00 -0.71 0.00 0.00 33.22 31.76 3h80 n MET 165 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3h80 s LYS 166 N -1.88 3.98 0.28 0.03 2.20 -1.26 -4.99 119.74 118.10 3h80 s LYS 166 Ca 0.11 1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 3h80 s LYS 166 Cb 0.12 -3.84 -0.13 0.00 -1.51 0.00 0.00 37.83 32.46 3h80 s LYS 166 CO 0.41 -1.04 1.32 -2.13 -0.36 0.00 0.00 175.35 173.56 3h80 n ARG 167 N 7.16 1.99 0.00 4.03 0.63 -1.26 -4.52 116.66 124.69 3h80 n ARG 167 Ca 0.14 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 3h80 n ARG 167 Cb 0.46 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.07 3h80 n ARG 167 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3h80 n GLY 168 N 1.56 0.83 3.04 5.14 0.00 -0.28 -4.52 105.19 110.96 3h80 n GLY 168 Ca 0.09 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3h80 n GLY 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h80 s THR 169 N -1.93 -0.01 -0.13 2.61 2.01 -0.87 -0.71 115.64 116.60 3h80 s THR 169 Ca 0.00 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3h80 s THR 169 Cb 0.00 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.24 3h80 s THR 169 CO 0.00 0.02 -0.22 -0.13 -0.69 0.00 0.00 174.62 173.60 3h80 s ARG 170 N 0.47 2.96 -0.25 4.92 0.52 0.63 -1.03 118.95 127.17 3h80 s ARG 170 Ca -0.03 -0.83 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 3h80 s ARG 170 Cb -0.04 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3h80 s ARG 170 CO -0.02 0.01 0.06 0.42 0.02 0.00 0.00 175.30 175.79 3h80 s ILE 171 N 0.75 4.28 -0.15 1.52 -1.09 -0.20 -1.21 121.20 125.10 3h80 s ILE 171 Ca -0.09 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 3h80 s ILE 171 Cb -0.16 -3.00 -0.00 0.00 -1.58 0.00 0.00 42.46 37.73 3h80 s ILE 171 CO -0.00 0.35 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.00 3h80 s THR 172 N 1.57 2.57 -0.22 2.92 2.01 0.54 -1.07 115.64 123.96 3h80 s THR 172 Ca 0.06 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 3h80 s THR 172 Cb -0.15 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 3h80 s THR 172 CO 0.03 0.52 0.06 -0.76 -0.69 0.00 0.00 174.62 173.78 3h80 s LEU 173 N 0.77 3.49 -0.47 4.42 1.02 0.20 -1.36 118.68 126.76 3h80 s LEU 173 Ca -0.06 -0.14 -0.25 0.00 0.02 0.00 0.00 54.13 53.70 3h80 s LEU 173 Cb -0.15 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.17 3h80 s LEU 173 CO 0.00 0.03 0.90 -2.28 0.02 0.00 0.00 176.35 175.02 3h80 s HIS 174 N 1.22 2.92 0.22 0.29 5.65 0.02 -1.74 115.29 123.88 3h80 s HIS 174 Ca 0.04 0.30 -0.30 0.00 0.25 0.00 0.00 55.06 55.36 3h80 s HIS 174 Cb -0.14 -3.92 -0.09 0.00 -1.18 0.00 0.00 32.58 27.25 3h80 s HIS 174 CO 0.03 -1.10 1.31 -0.51 -0.65 0.00 0.00 174.74 173.82 3h80 s LEU 175 N 3.68 4.42 0.64 8.88 1.43 -0.63 -1.20 118.68 135.90 3h80 s LEU 175 Ca 0.35 2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 55.72 3h80 s LEU 175 Cb -0.11 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3h80 s LEU 175 CO 0.25 -0.53 1.24 -0.54 0.23 0.00 0.00 176.35 177.00 3h80 s LYS 176 N -0.35 2.69 0.18 1.70 1.02 -0.35 -4.76 119.74 119.87 3h80 s LYS 176 Ca 0.56 1.89 -0.05 0.00 0.02 0.00 0.00 55.97 58.39 3h80 s LYS 176 Cb -0.37 -1.88 0.32 0.00 -0.52 0.00 0.00 37.83 35.37 3h80 s LYS 176 CO 0.40 -1.45 1.01 0.39 -0.92 0.00 0.00 175.35 174.79 3h80 n GLU 177 N -1.90 -0.06 -0.65 1.68 1.02 -1.26 -0.85 120.64 118.61 3h80 n GLU 177 Ca 0.14 1.01 0.06 0.00 -0.02 0.00 0.00 57.16 58.35 3h80 n GLU 177 Cb 0.49 -1.51 0.32 0.00 -0.02 0.00 0.00 31.44 30.72 3h80 n GLU 177 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h80 n ASP 178 N -5.04 4.55 -0.07 1.62 5.75 -1.26 -4.10 116.55 118.01 3h80 n ASP 178 Ca 0.11 -2.62 0.06 0.00 -0.01 0.00 0.00 54.79 52.34 3h80 n ASP 178 Cb 0.34 -0.61 0.09 0.00 -1.03 0.00 0.00 41.12 39.91 3h80 n ASP 178 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h80 n GLN 179 N 0.65 1.71 0.22 0.11 1.13 -0.03 -4.75 117.38 116.41 3h80 n GLN 179 Ca 0.22 -2.14 0.11 0.00 -1.94 0.00 0.00 57.00 53.25 3h80 n GLN 179 Cb 0.93 -1.28 0.59 0.00 0.11 0.00 0.00 30.24 30.58 3h80 n GLN 179 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 3h80 h MET 180 N 0.00 0.00 0.00 -1.09 2.86 -1.71 -2.81 114.93 112.18 3h80 h MET 180 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3h80 h MET 180 Cb 0.87 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 3h80 h MET 180 CO 0.00 0.00 -0.11 1.05 1.06 0.00 0.00 176.91 178.91 3h80 h GLU 181 N 0.00 0.00 0.00 1.72 4.11 -1.94 -2.54 114.58 115.93 3h80 h GLU 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3h80 h GLU 181 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h80 h GLU 181 CO 0.00 0.11 0.00 0.66 0.07 0.00 0.00 179.01 179.85 3h80 n TYR 182 N -3.54 0.00 1.18 2.06 4.01 -1.06 -2.46 117.16 117.35 3h80 n TYR 182 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 3h80 n TYR 182 Cb 0.24 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.53 3h80 n TYR 182 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3h80 n LEU 183 N -0.74 1.59 -4.62 7.72 4.77 -0.96 -4.83 117.00 119.93 3h80 n LEU 183 Ca 0.11 -0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 55.18 3h80 n LEU 183 Cb 0.05 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3h80 n LEU 183 CO 0.08 0.29 0.14 -1.61 -1.33 0.00 0.00 177.39 174.96 3h80 s GLU 184 N -2.37 4.07 0.56 3.23 0.41 -1.03 -4.80 118.70 118.77 3h80 s GLU 184 Ca 0.25 0.18 0.24 0.00 -0.41 0.00 0.00 54.97 55.23 3h80 s GLU 184 Cb 0.19 -3.63 1.61 0.00 -1.78 0.00 0.00 34.13 30.52 3h80 s GLU 184 CO 0.49 -0.26 2.22 -1.00 -0.49 0.00 0.00 175.26 176.22 3h80 h PRO 185 N 7.96 0.00 -0.05 0.39 0.13 -1.92 -1.59 132.00 136.92 3h80 h PRO 185 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3h80 h PRO 185 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h80 h PRO 185 CO 0.68 0.00 -0.08 -0.09 -0.23 0.00 0.00 178.00 178.28 3h80 h ARG 186 N 0.00 0.14 0.03 0.86 2.43 -1.94 0.59 114.38 116.49 3h80 h ARG 186 Ca -0.00 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3h80 h ARG 186 Cb 0.00 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3h80 h ARG 186 CO 0.00 0.66 -0.36 -0.09 -1.51 0.00 0.00 179.97 178.67 3h80 h ARG 187 N -0.36 -0.52 -0.63 0.20 9.65 -1.73 -2.96 114.38 118.03 3h80 h ARG 187 Ca 0.00 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3h80 h ARG 187 Cb 0.65 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.30 3h80 h ARG 187 CO 0.02 -0.34 0.37 -0.07 2.80 0.00 0.00 179.97 182.75 3h80 h LEU 188 N -0.53 0.59 -0.61 3.80 3.38 -1.28 -1.91 115.31 118.74 3h80 h LEU 188 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3h80 h LEU 188 Cb 0.61 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3h80 h LEU 188 CO -0.27 0.40 0.29 0.50 0.09 0.00 0.00 178.44 179.45 3h80 h LYS 189 N 0.72 0.89 -0.49 1.13 3.64 -0.85 -0.06 116.57 121.54 3h80 h LYS 189 Ca 0.27 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 3h80 h LYS 189 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3h80 h LYS 189 CO -0.13 0.72 -0.18 0.93 -2.27 0.00 0.00 179.45 178.51 3h80 h GLU 190 N 0.84 1.00 -0.72 1.90 4.39 -1.43 -1.26 114.58 119.30 3h80 h GLU 190 Ca 0.21 -0.41 0.03 0.00 0.34 0.00 0.00 59.36 59.53 3h80 h GLU 190 Cb 0.12 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3h80 h GLU 190 CO -0.03 1.09 0.45 -0.07 -1.16 0.00 0.00 179.01 179.30 3h80 h LEU 191 N 0.85 0.75 0.29 1.33 3.38 -0.86 0.28 115.31 121.33 3h80 h LEU 191 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3h80 h LEU 191 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3h80 h LEU 191 CO 0.06 0.52 -0.14 0.40 0.09 0.00 0.00 178.44 179.37 3h80 h ILE 192 N 0.89 0.74 -0.78 1.22 2.04 -0.99 -2.99 117.51 117.64 3h80 h ILE 192 Ca 0.28 -0.34 0.16 0.00 1.00 0.00 0.00 64.86 65.96 3h80 h ILE 192 Cb 0.00 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 36.91 3h80 h ILE 192 CO -0.10 0.07 0.31 0.11 0.00 0.00 0.00 178.15 178.54 3h80 h LYS 193 N -0.58 0.42 -0.71 2.37 1.57 -0.98 0.98 116.57 119.65 3h80 h LYS 193 Ca -0.04 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.90 3h80 h LYS 193 Cb 0.42 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3h80 h LYS 193 CO 0.07 0.28 0.50 -0.22 -0.57 0.00 0.00 179.45 179.50 3h80 h LYS 194 N 0.43 0.10 0.00 3.15 3.64 -0.30 -2.89 116.57 120.69 3h80 h LYS 194 Ca 0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3h80 h LYS 194 Cb 0.70 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3h80 h LYS 194 CO -0.43 0.07 -0.84 0.72 -2.27 0.00 0.00 179.45 176.70 3h80 n HIS 195 N -4.37 0.00 -0.25 1.91 8.25 -0.41 -4.69 115.22 115.65 3h80 n HIS 195 Ca 0.14 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.80 3h80 n HIS 195 Cb 0.71 -0.08 0.52 0.00 1.12 0.00 0.00 29.99 32.25 3h80 n HIS 195 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3h80 h SER 196 N 0.00 0.40 -0.84 0.41 0.02 0.12 -0.12 113.55 113.52 3h80 h SER 196 Ca 0.00 0.05 0.20 0.00 -0.84 0.00 0.00 61.79 61.20 3h80 h SER 196 Cb 0.24 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3h80 h SER 196 CO 0.00 0.15 0.57 -0.33 -1.14 0.00 0.00 176.83 176.08 3h80 h GLU 197 N 0.39 0.27 -0.23 3.45 5.08 -1.83 -2.89 114.58 118.82 3h80 h GLU 197 Ca 0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3h80 h GLU 197 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3h80 h GLU 197 CO -0.19 0.18 0.00 1.97 -1.00 0.00 0.00 179.01 179.97 3h80 n PHE 198 N -4.44 0.29 -4.03 4.33 -0.00 -0.06 -4.91 117.46 108.64 3h80 n PHE 198 Ca 0.18 -0.14 -0.26 0.00 -0.00 0.00 0.00 57.45 57.23 3h80 n PHE 198 Cb 0.73 0.00 -0.17 0.00 -0.00 0.00 0.00 39.48 40.04 3h80 n PHE 198 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3h80 s ILE 199 N -1.71 0.95 -0.22 1.97 -1.09 -1.09 -5.05 121.20 114.96 3h80 s ILE 199 Ca 0.35 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 3h80 s ILE 199 Cb 0.20 -0.96 0.22 0.00 -1.58 0.00 0.00 42.46 40.34 3h80 s ILE 199 CO 0.29 0.35 1.67 0.61 -1.23 0.00 0.00 174.94 176.63 3h80 n GLY 200 N 4.71 3.38 3.04 6.18 0.00 -1.26 -4.83 105.19 116.40 3h80 n GLY 200 Ca -0.15 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 3h80 n GLY 200 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h80 s TYR 201 N -1.40 0.62 0.30 1.61 1.51 -1.26 -5.12 117.35 113.61 3h80 s TYR 201 Ca 0.24 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 3h80 s TYR 201 Cb 0.20 -0.38 -0.11 0.00 -0.11 0.00 0.00 41.96 41.56 3h80 s TYR 201 CO 0.02 -0.06 1.46 0.34 -1.11 0.00 0.00 175.55 176.20 3h80 s ASP 202 N -1.18 6.55 -0.26 2.29 2.15 -1.26 -4.87 116.67 120.09 3h80 s ASP 202 Ca -0.07 2.81 0.00 0.00 0.43 0.00 0.00 52.55 55.73 3h80 s ASP 202 Cb -0.08 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 39.94 3h80 s ASP 202 CO 0.00 -0.75 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.54 3h80 s ILE 203 N -0.44 2.60 -0.21 4.11 1.01 -1.26 -1.55 121.20 125.46 3h80 s ILE 203 Ca 0.57 -1.30 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 3h80 s ILE 203 Cb -0.44 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3h80 s ILE 203 CO 0.50 0.08 0.10 -0.70 0.00 0.00 0.00 174.94 174.92 3h80 s GLU 204 N 1.23 3.97 -0.18 2.79 2.12 0.01 -4.98 118.70 123.66 3h80 s GLU 204 Ca -0.04 -0.33 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 3h80 s GLU 204 Cb -0.18 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 3h80 s GLU 204 CO -0.05 0.13 0.73 -1.17 -0.54 0.00 0.00 175.26 174.37 3h80 s LEU 205 N 0.78 4.16 -0.50 2.70 2.96 -1.26 -0.91 118.68 126.62 3h80 s LEU 205 Ca 0.05 1.01 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 3h80 s LEU 205 Cb -0.13 -3.06 0.05 0.00 0.50 0.00 0.00 46.19 43.55 3h80 s LEU 205 CO 0.02 -0.33 0.68 -0.04 -1.32 0.00 0.00 176.35 175.36 3h80 s MET 206 N 1.99 3.18 -0.02 1.98 -1.94 -0.10 -4.96 119.30 119.43 3h80 s MET 206 Ca 0.34 -0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 53.33 3h80 s MET 206 Cb -0.16 -4.07 -0.04 0.00 2.01 0.00 0.00 34.83 32.57 3h80 s MET 206 CO 0.12 -1.24 0.82 0.08 -0.01 0.00 0.00 175.02 174.79 3h80 s VAL 207 N 2.87 4.92 -2.00 -6.03 1.01 -1.26 -4.19 120.40 115.72 3h80 s VAL 207 Ca 0.19 1.71 0.24 0.00 0.00 0.00 0.00 61.98 64.12 3h80 s VAL 207 Cb -0.17 -4.16 0.68 0.00 0.00 0.00 0.00 36.38 32.72 3h80 s VAL 207 CO 0.14 0.24 1.79 -0.62 0.00 0.00 0.00 175.10 176.65