#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ls0 s TYR 33 N 0.00 2.93 0.90 4.78 2.02 -1.26 -5.07 117.35 121.65 3ls0 s TYR 33 Ca 0.00 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 3ls0 s TYR 33 Cb 0.00 -3.78 0.13 0.00 -0.40 0.00 0.00 41.96 37.90 3ls0 s TYR 33 CO 0.00 -1.14 1.09 -1.54 -1.57 0.00 0.00 175.55 172.40 3ls0 s SER 34 N 2.52 3.44 0.27 2.29 1.04 -1.26 -4.81 113.70 117.18 3ls0 s SER 34 Ca 0.27 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 58.21 3ls0 s SER 34 Cb -0.14 -2.22 0.36 0.00 0.10 0.00 0.00 66.02 64.12 3ls0 s SER 34 CO 0.19 -2.67 1.87 -0.65 0.98 0.00 0.00 173.24 172.96 3ls0 h PRO 35 N -1.57 1.03 -0.49 4.02 0.11 -1.99 -0.34 132.00 132.77 3ls0 h PRO 35 Ca -0.49 -0.14 -0.08 0.00 0.11 0.00 0.00 66.00 65.40 3ls0 h PRO 35 Cb 1.28 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3ls0 h PRO 35 CO 0.54 0.79 -0.02 0.93 -0.21 0.00 0.00 178.00 180.03 3ls0 h GLU 36 N 1.02 0.83 -0.07 1.05 3.07 -2.00 -1.39 114.58 117.10 3ls0 h GLU 36 Ca 0.25 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 3ls0 h GLU 36 Cb 0.10 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3ls0 h GLU 36 CO -0.03 0.85 0.01 -0.22 -1.40 0.00 0.00 179.01 178.21 3ls0 h LYS 37 N 0.77 0.12 -0.97 2.33 1.63 -1.78 -2.59 116.57 116.08 3ls0 h LYS 37 Ca 0.14 -0.03 0.15 0.00 -0.85 0.00 0.00 60.65 60.06 3ls0 h LYS 37 Cb 0.50 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.03 3ls0 h LYS 37 CO 0.03 0.36 0.61 0.82 -3.45 0.00 0.00 179.45 177.82 3ls0 h ILE 38 N -0.14 0.84 -0.59 2.00 1.08 -0.91 -1.01 117.51 118.77 3ls0 h ILE 38 Ca 0.02 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.17 3ls0 h ILE 38 Cb 0.30 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 33.96 3ls0 h ILE 38 CO 0.00 0.15 0.23 0.00 -0.69 0.00 0.00 178.15 177.84 3ls0 h ALA 39 N 1.58 1.30 -0.33 1.87 0.00 -1.11 -0.97 119.26 121.61 3ls0 h ALA 39 Ca 0.50 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3ls0 h ALA 39 Cb 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ls0 h ALA 39 CO -0.27 0.52 0.06 1.96 0.00 0.00 0.00 179.25 181.51 3ls0 h GLN 40 N 0.84 0.55 -0.69 0.00 4.20 -0.97 -2.79 115.11 116.26 3ls0 h GLN 40 Ca 0.20 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3ls0 h GLN 40 Cb 0.17 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.85 3ls0 h GLN 40 CO -0.02 0.63 0.45 -0.07 -0.67 0.00 0.00 178.83 179.16 3ls0 h LEU 41 N 0.38 0.76 -2.24 1.46 3.38 -0.75 -2.33 115.31 115.98 3ls0 h LEU 41 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ls0 h LEU 41 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ls0 h LEU 41 CO 0.01 0.54 -0.01 -0.61 0.09 0.00 0.00 178.44 178.46 3ls0 h GLN 42 N 0.89 0.00 -0.22 1.13 5.75 -0.91 -0.85 115.11 120.89 3ls0 h GLN 42 Ca 0.26 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 3ls0 h GLN 42 Cb -0.04 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 3ls0 h GLN 42 CO -0.06 0.01 0.04 0.28 -2.65 0.00 0.00 178.83 176.44 3ls0 h VAL 43 N 0.00 1.12 0.09 2.39 2.07 -1.32 -0.90 116.25 119.70 3ls0 h VAL 43 Ca -0.00 -0.44 -0.31 0.00 0.82 0.00 0.00 66.70 66.77 3ls0 h VAL 43 Cb 0.01 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3ls0 h VAL 43 CO 0.00 0.15 -1.64 1.88 0.02 0.00 0.00 177.57 177.99 3ls0 h TYR 44 N 0.31 0.35 -0.98 1.57 0.05 -1.35 -3.35 116.97 113.57 3ls0 h TYR 44 Ca 0.08 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.61 3ls0 h TYR 44 Cb 0.15 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3ls0 h TYR 44 CO 0.00 1.37 0.65 0.28 -1.05 0.00 0.00 178.16 179.41 3ls0 h VAL 45 N 0.05 1.25 -0.14 -2.88 2.07 -0.74 -3.08 116.25 112.79 3ls0 h VAL 45 Ca -0.28 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3ls0 h VAL 45 Cb 2.01 -0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3ls0 h VAL 45 CO 0.13 0.24 -0.42 0.78 0.02 0.00 0.00 177.57 178.32 3ls0 h ASN 46 N 1.34 -1.32 1.06 0.57 2.35 -1.32 0.12 115.58 118.37 3ls0 h ASN 46 Ca 0.36 0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 56.20 3ls0 h ASN 46 Cb -0.15 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3ls0 h ASN 46 CO -0.08 -0.43 -0.40 1.55 -1.65 0.00 0.00 177.43 176.43 3ls0 h PRO 47 N -0.49 0.00 -0.36 0.81 0.13 -1.76 -2.40 132.00 127.93 3ls0 h PRO 47 Ca 0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 3ls0 h PRO 47 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 3ls0 h PRO 47 CO -0.40 0.40 -0.27 0.82 -0.23 0.00 0.00 178.00 178.32 3ls0 h ILE 48 N 0.00 1.28 -0.38 -3.56 2.04 -1.27 -0.45 117.51 115.16 3ls0 h ILE 48 Ca -0.00 -1.40 -0.16 0.00 1.00 0.00 0.00 64.86 64.30 3ls0 h ILE 48 Cb 1.03 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 3ls0 h ILE 48 CO 0.05 0.46 -0.39 0.00 0.00 0.00 0.00 178.15 178.28 3ls0 h ALA 49 N 1.06 0.58 -0.49 1.87 0.00 -0.59 -1.34 119.26 120.35 3ls0 h ALA 49 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3ls0 h ALA 49 Cb 0.78 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ls0 h ALA 49 CO 0.06 0.68 0.10 0.28 0.00 0.00 0.00 179.25 180.38 3ls0 h VAL 50 N 0.76 1.24 -0.37 0.00 2.07 -1.27 -1.92 116.25 116.77 3ls0 h VAL 50 Ca 0.06 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3ls0 h VAL 50 Cb 0.98 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3ls0 h VAL 50 CO 0.09 0.31 0.11 0.00 0.02 0.00 0.00 177.57 178.11 3ls0 h ALA 51 N 0.98 0.42 -0.57 1.67 0.00 -0.88 1.00 119.26 121.88 3ls0 h ALA 51 Ca 0.15 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.19 3ls0 h ALA 51 Cb 0.36 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3ls0 h ALA 51 CO 0.01 -0.29 0.25 -0.09 0.00 0.00 0.00 179.25 179.12 3ls0 h ARG 52 N 0.25 0.45 -0.27 0.00 9.65 -1.01 -0.01 114.38 123.44 3ls0 h ARG 52 Ca 0.17 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3ls0 h ARG 52 Cb 0.17 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3ls0 h ARG 52 CO -0.20 0.30 0.14 0.22 2.80 0.00 0.00 179.97 183.23 3ls0 h ASP 53 N 0.46 0.35 -0.07 -3.80 3.58 -0.97 -2.94 116.42 113.02 3ls0 h ASP 53 Ca 0.27 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 3ls0 h ASP 53 Cb 0.27 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3ls0 h ASP 53 CO -0.24 0.35 -0.16 1.23 -2.88 0.00 0.00 179.24 177.54 3ls0 h GLY 54 N 0.32 0.46 0.87 -0.78 0.00 -0.45 -1.05 103.07 102.44 3ls0 h GLY 54 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.13 3ls0 h GLY 54 CO -0.01 0.30 0.31 -0.33 0.00 0.00 0.00 176.54 176.80 3ls0 h MET 55 N 0.39 0.60 0.10 4.80 2.86 -0.83 0.66 114.93 123.50 3ls0 h MET 55 Ca 0.07 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.40 3ls0 h MET 55 Cb 0.51 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.05 3ls0 h MET 55 CO 0.03 0.39 -1.17 1.49 1.06 0.00 0.00 176.91 178.72 3ls0 h GLU 56 N 0.61 0.42 0.03 1.72 4.81 -1.40 -1.24 114.58 119.53 3ls0 h GLU 56 Ca 0.21 -0.58 -0.23 0.00 -0.13 0.00 0.00 59.36 58.63 3ls0 h GLU 56 Cb 0.03 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3ls0 h GLU 56 CO -0.10 1.24 -1.10 0.87 -0.73 0.00 0.00 179.01 179.20 3ls0 h LYS 57 N 0.18 0.05 0.00 1.92 1.57 -1.09 -3.39 116.57 115.82 3ls0 h LYS 57 Ca -0.14 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3ls0 h LYS 57 Cb 1.85 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 34.19 3ls0 h LYS 57 CO 0.21 1.01 -0.90 0.54 -0.57 0.00 0.00 179.45 179.74 3ls0 n ARG 58 N -3.37 0.04 -0.03 3.15 5.12 0.18 -4.70 116.66 117.05 3ls0 n ARG 58 Ca -0.03 0.02 -0.05 0.00 -1.93 0.00 0.00 57.85 55.85 3ls0 n ARG 58 Cb 0.96 -0.56 0.15 0.00 -1.16 0.00 0.00 32.46 31.85 3ls0 n ARG 58 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3ls0 h LEU 59 N -0.07 0.61 -0.63 0.55 5.85 -1.16 -1.98 115.31 118.49 3ls0 h LEU 59 Ca -0.04 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3ls0 h LEU 59 Cb 0.85 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3ls0 h LEU 59 CO -0.02 0.85 0.38 -0.61 -0.34 0.00 0.00 178.44 178.70 3ls0 h GLN 60 N 0.52 0.72 -0.04 1.25 4.15 -1.42 -1.06 115.11 119.23 3ls0 h GLN 60 Ca 0.07 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.28 3ls0 h GLN 60 Cb 0.72 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3ls0 h GLN 60 CO 0.06 0.48 -0.73 0.78 -1.93 0.00 0.00 178.83 177.48 3ls0 h GLY 61 N 0.74 0.26 1.08 2.39 0.00 -1.73 -1.59 103.07 104.22 3ls0 h GLY 61 Ca 0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3ls0 h GLY 61 CO -0.12 0.34 0.20 1.41 0.00 0.00 0.00 176.54 178.37 3ls0 h LEU 62 N 0.16 1.07 -0.41 3.11 3.38 -0.55 -0.84 115.31 121.23 3ls0 h LEU 62 Ca -0.02 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3ls0 h LEU 62 Cb 1.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3ls0 h LEU 62 CO 0.11 1.01 -0.06 0.40 0.09 0.00 0.00 178.44 180.00 3ls0 h ILE 63 N 1.08 1.27 -0.55 1.22 2.04 -1.06 -1.42 117.51 120.10 3ls0 h ILE 63 Ca 0.23 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3ls0 h ILE 63 Cb 0.35 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3ls0 h ILE 63 CO -0.00 0.38 0.36 0.00 0.00 0.00 0.00 178.15 178.89 3ls0 h ALA 64 N 0.86 1.71 0.00 1.87 0.00 -1.04 -1.62 119.26 121.04 3ls0 h ALA 64 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ls0 h ALA 64 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ls0 h ALA 64 CO 0.03 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 3ls0 n ASP 65 N -4.47 0.00 -2.99 0.00 8.00 -0.34 -4.89 116.55 111.86 3ls0 n ASP 65 Ca 0.06 -0.39 -0.22 0.00 0.71 0.00 0.00 54.79 54.95 3ls0 n ASP 65 Cb 0.13 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3ls0 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ls0 n GLN 66 N -1.17 -4.28 -3.14 -1.24 6.02 -0.61 -4.91 117.38 108.04 3ls0 n GLN 66 Ca 0.15 0.84 -0.45 0.00 -0.01 0.00 0.00 57.00 57.54 3ls0 n GLN 66 Cb 0.16 -5.66 -0.01 0.00 1.02 0.00 0.00 30.24 25.75 3ls0 n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3ls0 s ASN 67 N -2.62 6.95 0.18 1.08 3.84 -0.55 -4.84 114.94 118.98 3ls0 s ASN 67 Ca 0.28 -2.84 0.09 0.00 0.21 0.00 0.00 52.86 50.60 3ls0 s ASN 67 Cb -0.13 -2.30 0.02 0.00 -0.55 0.00 0.00 41.25 38.29 3ls0 s ASN 67 CO 0.34 -0.66 1.41 -0.50 -2.79 0.00 0.00 177.10 174.91 3ls0 h TRP 68 N 7.61 0.00 -0.14 0.43 -0.00 -1.88 -0.85 115.95 121.11 3ls0 h TRP 68 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 3ls0 h TRP 68 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.11 3ls0 h TRP 68 CO 1.01 0.84 0.02 0.28 -0.00 0.00 0.00 178.44 180.59 3ls0 h VAL 69 N 0.00 1.23 0.00 1.49 2.07 -1.89 -2.03 116.25 117.12 3ls0 h VAL 69 Ca -0.01 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3ls0 h VAL 69 Cb 1.50 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3ls0 h VAL 69 CO 0.11 0.22 -0.32 0.44 0.02 0.00 0.00 177.57 178.04 3ls0 h ASP 70 N 0.01 0.00 -0.28 0.57 3.32 -1.94 -2.12 116.42 115.98 3ls0 h ASP 70 Ca 0.04 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3ls0 h ASP 70 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3ls0 h ASP 70 CO 0.00 0.32 0.14 0.74 -1.72 0.00 0.00 179.24 178.72 3ls0 h THR 71 N 0.00 0.99 -0.59 0.35 2.02 -1.07 -0.16 112.91 114.45 3ls0 h THR 71 Ca -0.00 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 3ls0 h THR 71 Cb 1.20 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3ls0 h THR 71 CO 0.04 0.05 0.17 1.56 0.37 0.00 0.00 175.52 177.71 3ls0 h GLN 72 N 0.29 0.92 -0.32 6.66 4.20 -1.07 -2.38 115.11 123.41 3ls0 h GLN 72 Ca 0.11 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3ls0 h GLN 72 Cb 0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3ls0 h GLN 72 CO -0.08 0.83 -0.11 1.15 -0.67 0.00 0.00 178.83 179.96 3ls0 h THR 73 N 0.83 1.23 -0.69 -0.54 2.02 -1.18 -1.91 112.91 112.67 3ls0 h THR 73 Ca 0.19 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3ls0 h THR 73 Cb 0.31 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3ls0 h THR 73 CO -0.00 0.34 0.39 0.22 0.37 0.00 0.00 175.52 176.84 3ls0 h TYR 74 N 0.50 0.94 -0.64 3.16 3.20 -0.53 0.29 116.97 123.89 3ls0 h TYR 74 Ca 0.09 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3ls0 h TYR 74 Cb 0.49 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3ls0 h TYR 74 CO 0.02 0.66 0.17 0.82 -1.64 0.00 0.00 178.16 178.18 3ls0 h ILE 75 N 0.95 1.25 0.00 1.81 2.04 -1.09 -0.52 117.51 121.95 3ls0 h ILE 75 Ca 0.25 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 3ls0 h ILE 75 Cb 0.02 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3ls0 h ILE 75 CO -0.04 0.34 -1.13 0.45 0.00 0.00 0.00 178.15 177.77 3ls0 h HIS 76 N 0.96 0.00 0.00 1.37 3.86 -0.79 -2.94 115.15 117.60 3ls0 h HIS 76 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3ls0 h HIS 76 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3ls0 h HIS 76 CO 0.02 0.39 0.00 0.41 0.86 0.00 0.00 177.93 179.61 3ls0 n GLY 77 N 1.30 -0.36 0.39 2.45 0.00 0.97 -3.66 105.19 106.28 3ls0 n GLY 77 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.14 3ls0 n GLY 77 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ls0 h PRO 78 N 0.00 0.40 -0.54 1.61 0.11 -1.67 -0.91 132.00 131.00 3ls0 h PRO 78 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3ls0 h PRO 78 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3ls0 h PRO 78 CO 0.00 0.26 0.00 1.28 -0.21 0.00 0.00 178.00 179.33 3ls0 n LEU 79 N -4.49 4.21 0.21 2.35 4.77 -0.22 -4.68 117.00 119.14 3ls0 n LEU 79 Ca 0.16 -2.39 0.10 0.00 -0.03 0.00 0.00 56.01 53.84 3ls0 n LEU 79 Cb 0.59 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.51 3ls0 n LEU 79 CO 0.32 0.80 0.75 1.23 -1.33 0.00 0.00 177.39 179.16 3ls0 h GLY 80 N 3.38 0.00 -1.42 -0.72 0.00 -0.97 -1.93 103.07 101.41 3ls0 h GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ls0 h GLY 80 CO 0.16 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.64 3ls0 n GLN 81 N -3.24 2.05 -0.37 4.80 1.13 -1.26 -4.53 117.38 115.96 3ls0 n GLN 81 Ca 0.02 -1.57 -0.02 0.00 -1.94 0.00 0.00 57.00 53.49 3ls0 n GLN 81 Cb 0.51 -1.44 0.12 0.00 0.11 0.00 0.00 30.24 29.53 3ls0 n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3ls0 h LEU 82 N 3.17 1.11 0.34 1.08 3.38 -1.69 0.63 115.31 123.33 3ls0 h LEU 82 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ls0 h LEU 82 Cb 0.69 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ls0 h LEU 82 CO 0.00 0.79 -0.19 -0.09 0.09 0.00 0.00 178.44 179.04 3ls0 h ARG 83 N 1.31 -0.48 -0.53 1.13 2.43 -1.79 0.16 114.38 116.60 3ls0 h ARG 83 Ca 0.37 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 3ls0 h ARG 83 Cb -0.11 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3ls0 h ARG 83 CO -0.09 -0.32 0.23 -0.09 -1.51 0.00 0.00 179.97 178.19 3ls0 h ARG 84 N -0.50 0.43 -0.09 0.20 2.43 -1.80 -1.46 114.38 113.60 3ls0 h ARG 84 Ca -0.04 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3ls0 h ARG 84 Cb 0.40 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3ls0 h ARG 84 CO 0.05 0.29 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.91 3ls0 h ASP 85 N 0.45 0.54 0.33 -3.80 3.32 -0.72 -0.93 116.42 115.61 3ls0 h ASP 85 Ca 0.25 -0.65 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3ls0 h ASP 85 Cb 0.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3ls0 h ASP 85 CO -0.21 1.11 -0.48 0.24 -1.72 0.00 0.00 179.24 178.18 3ls0 h MET 86 N 0.02 0.18 -0.11 3.56 2.86 -0.95 -0.41 114.93 120.07 3ls0 h MET 86 Ca -0.03 -0.09 -0.20 0.00 -2.06 0.00 0.00 59.70 57.31 3ls0 h MET 86 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3ls0 h MET 86 CO 0.09 0.62 -0.76 -0.07 1.06 0.00 0.00 176.91 177.85 3ls0 h LEU 87 N 0.14 0.69 -0.67 1.22 3.38 -1.27 -0.27 115.31 118.53 3ls0 h LEU 87 Ca 0.01 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 3ls0 h LEU 87 Cb 0.90 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3ls0 h LEU 87 CO 0.07 1.23 0.15 1.23 0.09 0.00 0.00 178.44 181.22 3ls0 h GLY 88 N 0.95 1.17 0.88 0.83 0.00 -1.03 -0.69 103.07 105.18 3ls0 h GLY 88 Ca -0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 3ls0 h GLY 88 CO 0.14 0.69 -0.14 -2.00 0.00 0.00 0.00 176.54 175.24 3ls0 h LEU 89 N 1.02 -0.33 -1.09 3.11 5.85 -0.92 -2.70 115.31 120.25 3ls0 h LEU 89 Ca 0.21 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3ls0 h LEU 89 Cb 0.38 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3ls0 h LEU 89 CO 0.00 -0.13 0.62 0.00 -0.34 0.00 0.00 178.44 178.60 3ls0 h ALA 90 N 0.16 1.42 0.00 1.25 0.00 -0.92 -0.19 119.26 120.98 3ls0 h ALA 90 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ls0 h ALA 90 Cb 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ls0 h ALA 90 CO 0.06 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.22 3ls0 n SER 91 N -4.46 0.07 -0.30 0.00 7.64 -0.28 -2.85 113.62 113.44 3ls0 n SER 91 Ca 0.13 0.52 0.11 0.00 1.01 0.00 0.00 58.87 60.64 3ls0 n SER 91 Cb 0.13 -0.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 3ls0 n SER 91 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3ls0 n SER 92 N -1.58 1.63 -4.85 6.43 7.64 -0.10 -4.98 113.62 117.81 3ls0 n SER 92 Ca 0.03 -1.31 -0.31 0.00 1.01 0.00 0.00 58.87 58.29 3ls0 n SER 92 Cb 0.15 0.68 0.04 0.00 -1.01 0.00 0.00 64.21 64.07 3ls0 n SER 92 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ls0 s LEU 93 N -2.68 3.04 0.69 -3.43 1.43 -1.12 -5.01 118.68 111.59 3ls0 s LEU 93 Ca 0.14 1.40 -0.17 0.00 -1.03 0.00 0.00 54.13 54.48 3ls0 s LEU 93 Cb 0.17 -4.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 3ls0 s LEU 93 CO 0.69 -1.29 0.93 0.18 0.23 0.00 0.00 176.35 177.09 3ls0 n LEU 94 N -3.01 3.38 0.25 1.79 4.77 -1.26 -4.66 117.00 118.25 3ls0 n LEU 94 Ca 0.07 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.87 3ls0 n LEU 94 Cb 0.55 -1.39 0.78 0.00 -2.33 0.00 0.00 43.42 41.03 3ls0 n LEU 94 CO 0.57 -2.08 1.11 -0.65 -1.33 0.00 0.00 177.39 175.02 3ls0 h PRO 95 N -0.05 0.00 0.00 3.23 0.11 -1.98 -2.09 132.00 131.21 3ls0 h PRO 95 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ls0 h PRO 95 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3ls0 h PRO 95 CO 0.48 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 179.84 3ls0 h LYS 96 N 0.00 0.00 0.00 1.05 2.10 -2.02 -3.02 116.57 114.68 3ls0 h LYS 96 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3ls0 h LYS 96 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3ls0 h LYS 96 CO -0.00 0.00 -0.70 -0.25 -2.00 0.00 0.00 179.45 176.50 3ls0 n ASP 97 N -2.45 1.21 -0.06 7.07 9.92 -0.80 -4.73 116.55 126.70 3ls0 n ASP 97 Ca 0.02 -0.48 -0.10 0.00 -0.53 0.00 0.00 54.79 53.70 3ls0 n ASP 97 Cb 0.27 1.12 -0.03 0.00 -0.64 0.00 0.00 41.12 41.84 3ls0 n ASP 97 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3ls0 h GLN 98 N 0.00 0.33 -0.04 -1.24 4.20 -1.37 -1.82 115.11 115.16 3ls0 h GLN 98 Ca 0.00 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3ls0 h GLN 98 Cb 0.25 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3ls0 h GLN 98 CO 0.00 0.25 -0.08 0.22 -0.67 0.00 0.00 178.83 178.55 3ls0 h ASP 99 N 0.31 -0.24 -0.66 1.46 3.58 -1.85 0.18 116.42 119.19 3ls0 h ASP 99 Ca 0.09 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3ls0 h ASP 99 Cb 0.01 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 3ls0 h ASP 99 CO -0.02 -0.12 0.29 0.50 -2.88 0.00 0.00 179.24 177.01 3ls0 h LYS 100 N -0.12 0.97 -0.51 0.28 1.63 -1.84 -1.22 116.57 115.76 3ls0 h LYS 100 Ca 0.05 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 3ls0 h LYS 100 Cb 0.19 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 3ls0 h LYS 100 CO -0.11 0.79 0.11 0.00 -3.45 0.00 0.00 179.45 176.79 3ls0 h ALA 101 N 1.13 0.68 -0.53 5.00 0.00 -1.10 -1.13 119.26 123.31 3ls0 h ALA 101 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ls0 h ALA 101 Cb 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ls0 h ALA 101 CO -0.02 0.39 0.34 0.87 0.00 0.00 0.00 179.25 180.83 3ls0 h LYS 102 N 0.72 0.71 -0.33 0.00 1.57 -0.35 -1.14 116.57 117.74 3ls0 h LYS 102 Ca 0.16 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ls0 h LYS 102 Cb 0.36 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3ls0 h LYS 102 CO 0.00 0.48 0.11 1.15 -0.57 0.00 0.00 179.45 180.62 3ls0 h THR 103 N 0.72 0.89 -0.55 -0.16 2.02 -1.07 -1.13 112.91 113.63 3ls0 h THR 103 Ca 0.19 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.19 3ls0 h THR 103 Cb -0.06 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3ls0 h THR 103 CO -0.04 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.76 3ls0 h LEU 104 N 0.24 0.99 -0.63 2.58 3.38 -1.08 -2.14 115.31 118.66 3ls0 h LEU 104 Ca 0.15 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ls0 h LEU 104 Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3ls0 h LEU 104 CO -0.16 1.08 0.39 0.00 0.09 0.00 0.00 178.44 179.84 3ls0 h ALA 105 N 1.01 0.82 -0.14 1.53 0.00 -0.98 -0.95 119.26 120.54 3ls0 h ALA 105 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ls0 h ALA 105 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ls0 h ALA 105 CO 0.04 0.15 -0.16 0.87 0.00 0.00 0.00 179.25 180.16 3ls0 h LYS 106 N 0.78 0.23 -0.31 0.00 1.57 -1.00 -0.13 116.57 117.71 3ls0 h LYS 106 Ca 0.25 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3ls0 h LYS 106 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3ls0 h LYS 106 CO -0.10 0.39 -0.08 0.93 -0.57 0.00 0.00 179.45 180.03 3ls0 h GLU 107 N 0.22 0.60 -0.31 3.15 4.39 -0.71 0.08 114.58 122.00 3ls0 h GLU 107 Ca 0.04 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.52 3ls0 h GLU 107 Cb 0.41 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3ls0 h GLU 107 CO 0.03 0.79 0.17 0.28 -1.16 0.00 0.00 179.01 179.12 3ls0 h VAL 108 N 0.37 1.02 -0.83 3.13 2.07 -0.47 -1.71 116.25 119.83 3ls0 h VAL 108 Ca 0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3ls0 h VAL 108 Cb 0.58 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3ls0 h VAL 108 CO 0.03 0.06 0.39 -0.26 0.02 0.00 0.00 177.57 177.81 3ls0 h PHE 109 N 0.35 1.20 -0.48 1.57 0.04 -0.82 0.14 116.94 118.94 3ls0 h PHE 109 Ca 0.12 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 3ls0 h PHE 109 Cb 0.01 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.78 3ls0 h PHE 109 CO -0.08 0.87 -0.21 0.78 -0.60 0.00 0.00 178.31 179.07 3ls0 h GLY 110 N 1.20 1.06 1.65 -1.45 0.00 -0.61 -0.03 103.07 104.88 3ls0 h GLY 110 Ca 0.28 -0.93 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 3ls0 h GLY 110 CO -0.03 0.85 -0.49 0.45 0.00 0.00 0.00 176.54 177.32 3ls0 h HIS 111 N 0.84 0.46 -0.40 5.60 3.86 -0.95 -1.02 115.15 123.54 3ls0 h HIS 111 Ca 0.11 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 59.07 3ls0 h HIS 111 Cb 0.79 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 3ls0 h HIS 111 CO 0.05 0.79 -0.17 -0.07 0.86 0.00 0.00 177.93 179.39 3ls0 h LEU 112 N 0.30 0.75 -0.64 2.43 3.38 -0.68 0.14 115.31 120.99 3ls0 h LEU 112 Ca 0.02 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3ls0 h LEU 112 Cb 0.97 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3ls0 h LEU 112 CO 0.08 0.92 0.39 -0.33 0.09 0.00 0.00 178.44 179.60 3ls0 h GLU 113 N 0.67 0.75 -0.08 1.13 5.08 -0.80 0.33 114.58 121.66 3ls0 h GLU 113 Ca 0.10 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3ls0 h GLU 113 Cb 0.66 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3ls0 h GLU 113 CO 0.05 0.50 -0.61 0.00 -1.00 0.00 0.00 179.01 177.95 3ls0 h ARG 114 N 0.77 0.26 -0.48 2.33 3.08 -0.71 -1.60 114.38 118.03 3ls0 h ARG 114 Ca 0.26 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3ls0 h ARG 114 Cb 0.02 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3ls0 h ARG 114 CO -0.10 0.79 0.12 1.25 -1.07 0.00 0.00 179.97 180.96 3ls0 h LEU 115 N 0.20 0.73 -0.80 3.04 5.85 -0.40 0.23 115.31 124.15 3ls0 h LEU 115 Ca -0.01 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3ls0 h LEU 115 Cb 1.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3ls0 h LEU 115 CO 0.10 0.76 0.53 -0.78 -0.34 0.00 0.00 178.44 178.71 3ls0 h ASP 116 N 0.65 0.91 -0.30 1.25 3.58 -0.76 -0.21 116.42 121.55 3ls0 h ASP 116 Ca 0.15 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3ls0 h ASP 116 Cb 0.32 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3ls0 h ASP 116 CO 0.00 0.65 0.10 0.00 -2.88 0.00 0.00 179.24 177.11 3ls0 h ALA 117 N 1.30 0.39 -0.86 -0.78 0.00 -1.08 -0.99 119.26 117.24 3ls0 h ALA 117 Ca 0.30 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3ls0 h ALA 117 Cb -0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 3ls0 h ALA 117 CO -0.07 0.02 0.50 0.00 0.00 0.00 0.00 179.25 179.70 3ls0 h ALA 118 N 0.93 1.23 -0.38 0.00 0.00 -0.10 -1.04 119.26 119.90 3ls0 h ALA 118 Ca 0.10 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3ls0 h ALA 118 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ls0 h ALA 118 CO -0.00 0.14 -0.18 0.00 0.00 0.00 0.00 179.25 179.20 3ls0 h ALA 119 N 1.46 0.54 -0.39 0.00 0.00 -0.57 0.14 119.26 120.44 3ls0 h ALA 119 Ca 0.41 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ls0 h ALA 119 Cb 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ls0 h ALA 119 CO -0.24 0.48 0.26 0.87 0.00 0.00 0.00 179.25 180.62 3ls0 h LYS 120 N 0.60 0.40 -0.01 0.00 1.57 -0.85 -1.47 116.57 116.82 3ls0 h LYS 120 Ca 0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3ls0 h LYS 120 Cb 0.74 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3ls0 h LYS 120 CO 0.06 0.26 -0.04 -0.25 -0.57 0.00 0.00 179.45 178.91 3ls0 n ASP 121 N -4.48 1.14 -3.52 0.86 8.00 -0.42 -4.93 116.55 113.20 3ls0 n ASP 121 Ca 0.04 -1.29 -0.26 0.00 0.71 0.00 0.00 54.79 54.00 3ls0 n ASP 121 Cb 0.15 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 3ls0 n ASP 121 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ls0 n ARG 122 N -0.18 -5.81 -3.32 -1.24 1.74 -0.55 -4.94 116.66 102.36 3ls0 n ARG 122 Ca 0.19 0.73 -0.47 0.00 -0.77 0.00 0.00 57.85 57.53 3ls0 n ARG 122 Cb 0.31 -5.64 -0.03 0.00 -1.02 0.00 0.00 32.46 26.08 3ls0 n ARG 122 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ls0 s ASN 123 N -3.07 6.60 0.24 0.55 3.84 0.39 -4.88 114.94 118.62 3ls0 s ASN 123 Ca 0.52 -2.43 0.09 0.00 0.21 0.00 0.00 52.86 51.25 3ls0 s ASN 123 Cb -0.25 -2.21 0.26 0.00 -0.55 0.00 0.00 41.25 38.50 3ls0 s ASN 123 CO 0.64 -0.66 1.55 1.23 -2.79 0.00 0.00 177.10 177.08 3ls0 h GLY 124 N 8.11 0.05 0.80 1.21 0.00 -1.92 -0.07 103.07 111.25 3ls0 h GLY 124 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.25 3ls0 h GLY 124 CO 0.84 0.06 -0.16 0.23 0.00 0.00 0.00 176.54 177.51 3ls0 h SER 125 N 0.03 -0.42 0.20 0.19 0.87 -1.97 -1.46 113.55 110.99 3ls0 h SER 125 Ca -0.01 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 3ls0 h SER 125 Cb 1.19 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 3ls0 h SER 125 CO 0.09 -0.24 -0.42 1.56 -0.53 0.00 0.00 176.83 177.30 3ls0 h GLN 126 N -0.34 0.28 -0.42 2.24 1.08 -1.92 -2.46 115.11 113.56 3ls0 h GLN 126 Ca 0.01 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 3ls0 h GLN 126 Cb 0.33 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3ls0 h GLN 126 CO -0.05 0.65 0.21 0.00 -0.95 0.00 0.00 178.83 178.69 3ls0 h ALA 127 N 1.34 0.54 -0.42 3.87 0.00 -0.81 0.16 119.26 123.93 3ls0 h ALA 127 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ls0 h ALA 127 Cb 0.84 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ls0 h ALA 127 CO 0.07 0.09 0.25 -0.22 0.00 0.00 0.00 179.25 179.44 3ls0 h LYS 128 N 0.54 0.58 -0.22 0.00 3.64 -1.23 -1.16 116.57 118.72 3ls0 h LYS 128 Ca 0.14 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3ls0 h LYS 128 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3ls0 h LYS 128 CO -0.02 0.43 0.12 0.82 -2.27 0.00 0.00 179.45 178.53 3ls0 h ILE 129 N 0.56 1.12 -0.07 2.00 2.04 -1.14 -2.11 117.51 119.90 3ls0 h ILE 129 Ca 0.15 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 3ls0 h ILE 129 Cb 0.01 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ls0 h ILE 129 CO -0.03 0.12 -0.61 1.56 0.00 0.00 0.00 178.15 179.19 3ls0 h GLN 130 N 0.24 0.26 0.05 2.37 1.08 -0.55 -0.17 115.11 118.40 3ls0 h GLN 130 Ca 0.08 -0.18 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 3ls0 h GLN 130 Cb 0.08 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3ls0 h GLN 130 CO -0.01 0.79 -0.14 -0.92 -0.95 0.00 0.00 178.83 177.59 3ls0 h TYR 131 N 0.19 -0.37 -0.68 2.96 3.20 -1.10 0.52 116.97 121.69 3ls0 h TYR 131 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3ls0 h TYR 131 Cb 1.12 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 3ls0 h TYR 131 CO 0.02 -0.21 0.34 1.96 -1.64 0.00 0.00 178.16 178.63 3ls0 h GLN 132 N -0.27 0.97 -0.32 1.82 4.20 -0.76 -1.31 115.11 119.44 3ls0 h GLN 132 Ca 0.03 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3ls0 h GLN 132 Cb 0.30 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3ls0 h GLN 132 CO -0.10 0.76 0.07 0.93 -0.67 0.00 0.00 178.83 179.82 3ls0 h GLU 133 N 0.94 0.52 -0.29 1.46 4.39 -0.93 -2.12 114.58 118.55 3ls0 h GLU 133 Ca 0.24 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3ls0 h GLU 133 Cb 0.10 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3ls0 h GLU 133 CO -0.03 0.59 0.13 0.00 -1.16 0.00 0.00 179.01 178.54 3ls0 h ALA 134 N 0.91 0.34 -0.92 3.43 0.00 -0.73 -2.54 119.26 119.75 3ls0 h ALA 134 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ls0 h ALA 134 Cb 0.31 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3ls0 h ALA 134 CO 0.00 -0.26 0.60 -0.07 0.00 0.00 0.00 179.25 179.52 3ls0 h LEU 135 N 0.28 0.97 -0.28 0.00 3.38 -1.16 0.53 115.31 119.02 3ls0 h LEU 135 Ca 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ls0 h LEU 135 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3ls0 h LEU 135 CO -0.10 0.65 0.10 0.00 0.09 0.00 0.00 178.44 179.18 3ls0 h ALA 136 N 1.48 0.36 0.00 1.53 0.00 -1.08 0.64 119.26 122.19 3ls0 h ALA 136 Ca 0.38 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3ls0 h ALA 136 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ls0 h ALA 136 CO -0.12 -0.02 -0.47 -0.44 0.00 0.00 0.00 179.25 178.19 3ls0 h ASP 137 N 0.29 0.00 -0.21 0.00 3.32 -1.25 -2.07 116.42 116.51 3ls0 h ASP 137 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3ls0 h ASP 137 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ls0 h ASP 137 CO -0.01 0.47 -0.09 0.15 -1.72 0.00 0.00 179.24 178.05 3ls0 h PHE 138 N 0.00 0.49 -0.93 4.55 3.04 -0.52 -1.07 116.94 122.50 3ls0 h PHE 138 Ca -0.00 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 61.87 3ls0 h PHE 138 Cb 1.05 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.39 3ls0 h PHE 138 CO 0.00 0.71 0.61 -0.44 -2.02 0.00 0.00 178.31 177.17 3ls0 h ASP 139 N 0.14 0.99 -0.54 0.41 3.32 -0.72 -0.75 116.42 119.27 3ls0 h ASP 139 Ca 0.05 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3ls0 h ASP 139 Cb 0.57 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3ls0 h ASP 139 CO 0.03 0.67 0.33 0.28 -1.72 0.00 0.00 179.24 178.83 3ls0 h SER 140 N 1.15 0.54 -0.01 6.45 0.02 -1.10 -0.82 113.55 119.77 3ls0 h SER 140 Ca 0.38 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3ls0 h SER 140 Cb 0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3ls0 h SER 140 CO -0.12 0.38 -0.02 0.15 -1.14 0.00 0.00 176.83 176.08 3ls0 h PHE 141 N 0.65 -0.04 -0.98 3.45 3.57 -0.60 -2.65 116.94 120.34 3ls0 h PHE 141 Ca 0.21 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3ls0 h PHE 141 Cb 0.01 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 3ls0 h PHE 141 CO -0.06 -0.03 0.64 -0.07 -2.23 0.00 0.00 178.31 176.57 3ls0 h LEU 142 N -0.02 1.08 -1.63 0.59 3.38 -1.05 -2.40 115.31 115.26 3ls0 h LEU 142 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ls0 h LEU 142 Cb 0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ls0 h LEU 142 CO -0.03 0.75 0.00 0.78 0.09 0.00 0.00 178.44 180.03 3ls0 h ASN 143 N 1.26 0.00 0.52 -0.43 2.35 -0.87 -2.60 115.58 115.80 3ls0 h ASN 143 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3ls0 h ASN 143 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 3ls0 h ASN 143 CO -0.12 0.00 -0.44 0.00 -1.65 0.00 0.00 177.43 175.23 3ls0 n LEU 144 N -2.70 0.50 -4.77 1.61 -0.00 -0.90 -4.93 117.00 105.80 3ls0 n LEU 144 Ca -0.00 0.02 -0.37 0.00 -0.00 0.00 0.00 56.01 55.66 3ls0 n LEU 144 Cb 0.18 -0.26 -0.02 0.00 -0.00 0.00 0.00 43.42 43.32 3ls0 n LEU 144 CO 0.20 0.12 0.80 -0.76 -0.00 0.00 0.00 177.39 177.75 3ls0 s LEU 145 N -2.96 4.05 0.00 1.47 1.43 -0.98 -5.13 118.68 116.57 3ls0 s LEU 145 Ca 0.12 2.22 0.08 0.00 -1.03 0.00 0.00 54.13 55.53 3ls0 s LEU 145 Cb 0.18 -4.22 0.47 0.00 0.03 0.00 0.00 46.19 42.65 3ls0 s LEU 145 CO 0.67 -0.78 0.92 -0.81 0.23 0.00 0.00 176.35 176.59