#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0g n HIS 2 N 0.00 0.00 -2.25 6.34 -0.00 -1.26 -5.06 115.22 112.99 3a0g n HIS 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 3a0g n HIS 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 3a0g n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3a0g n LEU 3 N -0.37 -5.18 -4.78 0.27 4.77 -1.26 -5.04 117.00 105.40 3a0g n LEU 3 Ca 0.00 1.35 -0.31 0.00 -0.03 0.00 0.00 56.01 57.02 3a0g n LEU 3 Cb 0.00 -2.54 0.08 0.00 -2.33 0.00 0.00 43.42 38.63 3a0g n LEU 3 CO 0.00 -2.51 0.70 0.42 -1.33 0.00 0.00 177.39 174.67 3a0g s THR 4 N -0.66 3.54 0.36 -5.08 -4.23 -1.26 -4.87 115.64 103.43 3a0g s THR 4 Ca -0.13 0.50 0.11 0.00 -1.18 0.00 0.00 61.69 60.99 3a0g s THR 4 Cb 0.01 -3.08 0.34 0.00 1.34 0.00 0.00 72.50 71.11 3a0g s THR 4 CO 0.53 -0.65 1.82 0.00 -0.54 0.00 0.00 174.62 175.78 3a0g h ALA 5 N -1.00 1.91 -0.23 3.99 0.00 -1.99 -0.87 119.26 121.06 3a0g h ALA 5 Ca -0.44 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3a0g h ALA 5 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3a0g h ALA 5 CO 0.53 -0.22 -0.22 0.00 0.00 0.00 0.00 179.25 179.34 3a0g h ALA 6 N 1.62 1.19 -0.23 0.00 0.00 -1.99 -2.68 119.26 117.15 3a0g h ALA 6 Ca 0.52 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3a0g h ALA 6 Cb 0.97 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3a0g h ALA 6 CO -0.27 0.52 -0.30 0.93 0.00 0.00 0.00 179.25 180.13 3a0g h GLU 7 N 0.38 0.62 -0.28 0.00 5.08 -1.57 -1.20 114.58 117.62 3a0g h GLU 7 Ca 0.06 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3a0g h GLU 7 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3a0g h GLU 7 CO 0.04 0.96 -0.05 0.87 -1.00 0.00 0.00 179.01 179.83 3a0g h LYS 8 N 0.32 0.45 0.00 2.33 1.57 -1.22 -1.99 116.57 118.03 3a0g h LYS 8 Ca 0.03 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.51 3a0g h LYS 8 Cb 0.88 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3a0g h LYS 8 CO 0.07 0.52 -1.27 0.66 -0.57 0.00 0.00 179.45 178.86 3a0g h SER 9 N 0.43 0.00 -0.47 0.86 4.64 -1.39 -0.51 113.55 117.10 3a0g h SER 9 Ca 0.09 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.49 3a0g h SER 9 Cb 0.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 3a0g h SER 9 CO 0.02 0.75 0.07 0.00 -0.87 0.00 0.00 176.83 176.79 3a0g h ALA 10 N 1.25 0.50 0.53 5.18 0.00 -1.05 0.24 119.26 125.92 3a0g h ALA 10 Ca -0.14 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3a0g h ALA 10 Cb 1.70 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.66 3a0g h ALA 10 CO 0.07 -0.34 -0.26 0.82 0.00 0.00 0.00 179.25 179.55 3a0g h ILE 11 N 0.19 0.45 -0.80 0.00 2.04 -1.26 -3.10 117.51 115.03 3a0g h ILE 11 Ca 0.24 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 3a0g h ILE 11 Cb 0.33 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3a0g h ILE 11 CO -0.34 0.03 0.36 -0.07 0.00 0.00 0.00 178.15 178.13 3a0g h LEU 12 N -0.83 1.07 -0.44 1.44 3.38 -1.09 -0.32 115.31 118.51 3a0g h LEU 12 Ca -0.07 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.82 3a0g h LEU 12 Cb 0.60 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3a0g h LEU 12 CO 0.12 0.92 0.12 0.44 0.09 0.00 0.00 178.44 180.13 3a0g h ASP 13 N 1.15 0.07 -0.14 -0.43 3.32 -0.99 -1.35 116.42 118.05 3a0g h ASP 13 Ca 0.27 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 3a0g h ASP 13 Cb 0.16 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3a0g h ASP 13 CO -0.03 0.07 -0.31 0.25 -1.72 0.00 0.00 179.24 177.50 3a0g h LEU 14 N 0.26 0.52 -1.46 1.55 6.46 -1.50 -3.25 115.31 117.89 3a0g h LEU 14 Ca 0.21 -0.57 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 3a0g h LEU 14 Cb 0.25 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 3a0g h LEU 14 CO -0.25 0.99 0.42 -0.25 -0.62 0.00 0.00 178.44 178.73 3a0g h TRP 15 N 0.07 0.67 -0.35 1.25 2.91 -0.52 0.95 115.95 120.94 3a0g h TRP 15 Ca 0.00 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.14 3a0g h TRP 15 Cb 0.91 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 3a0g h TRP 15 CO 0.10 0.37 0.39 0.78 -1.03 0.00 0.00 178.44 179.06 3a0g h GLY 16 N 0.68 0.00 -0.94 2.65 0.00 -1.30 -1.79 103.07 102.38 3a0g h GLY 16 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3a0g h GLY 16 CO -0.08 0.00 -0.35 0.58 0.00 0.00 0.00 176.54 176.69 3a0g n LYS 17 N -3.69 1.35 -2.81 4.80 2.85 0.32 -5.01 118.16 115.97 3a0g n LYS 17 Ca 0.06 -1.07 -0.38 0.00 -1.05 0.00 0.00 58.31 55.86 3a0g n LYS 17 Cb 0.55 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.39 3a0g n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3a0g s VAL 18 N -2.39 4.20 -0.50 0.58 1.01 -0.67 -5.01 120.40 117.61 3a0g s VAL 18 Ca 0.22 1.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.88 3a0g s VAL 18 Cb 0.19 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3a0g s VAL 18 CO 0.51 0.31 0.62 0.21 0.00 0.00 0.00 175.10 176.76 3a0g s ASN 19 N -1.42 6.23 0.16 3.32 3.84 -1.26 -4.97 114.94 120.85 3a0g s ASN 19 Ca 0.45 -0.90 -0.16 0.00 0.21 0.00 0.00 52.86 52.47 3a0g s ASN 19 Cb -0.22 -2.29 0.10 0.00 -0.55 0.00 0.00 41.25 38.29 3a0g s ASN 19 CO 0.27 -0.88 1.71 0.58 -2.79 0.00 0.00 177.10 175.99 3a0g h VAL 20 N 5.86 0.76 -0.77 -5.21 2.07 -1.96 -2.00 116.25 115.01 3a0g h VAL 20 Ca -0.27 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3a0g h VAL 20 Cb 1.10 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3a0g h VAL 20 CO 0.96 0.03 0.47 1.23 0.02 0.00 0.00 177.57 180.27 3a0g h GLY 21 N 0.15 1.12 0.56 2.17 0.00 -1.92 -0.69 103.07 104.47 3a0g h GLY 21 Ca 0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3a0g h GLY 21 CO -0.27 0.45 -0.00 0.83 0.00 0.00 0.00 176.54 177.54 3a0g h GLU 22 N 1.06 0.01 -0.70 4.80 4.39 -1.83 -2.21 114.58 120.10 3a0g h GLU 22 Ca 0.28 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.99 3a0g h GLU 22 Cb -0.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 3a0g h GLU 22 CO -0.05 0.45 0.45 0.82 -1.16 0.00 0.00 179.01 179.52 3a0g h ILE 23 N -0.43 1.12 -0.31 3.13 1.08 -1.42 -0.81 117.51 119.88 3a0g h ILE 23 Ca 0.00 -0.30 -0.14 0.00 -0.39 0.00 0.00 64.86 64.03 3a0g h ILE 23 Cb 0.45 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3a0g h ILE 23 CO 0.00 0.16 -0.37 1.23 -0.69 0.00 0.00 178.15 178.49 3a0g h GLY 24 N 0.88 0.77 0.87 5.37 0.00 -1.17 0.35 103.07 110.14 3a0g h GLY 24 Ca 0.27 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3a0g h GLY 24 CO -0.09 0.68 0.00 0.00 0.00 0.00 0.00 176.54 177.13 3a0g h ALA 25 N 1.00 0.38 -0.07 3.60 0.00 -1.24 -1.48 119.26 121.45 3a0g h ALA 25 Ca 0.06 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3a0g h ALA 25 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3a0g h ALA 25 CO 0.08 0.11 -0.07 0.93 0.00 0.00 0.00 179.25 180.30 3a0g h GLU 26 N 0.28 -0.09 0.39 0.00 4.39 -1.04 -0.38 114.58 118.14 3a0g h GLU 26 Ca 0.08 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3a0g h GLU 26 Cb 0.42 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3a0g h GLU 26 CO 0.01 -0.06 -0.19 0.00 -1.16 0.00 0.00 179.01 177.62 3a0g h ALA 27 N 0.96 -0.53 -0.38 3.43 0.00 -0.18 -0.80 119.26 121.76 3a0g h ALA 27 Ca 0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3a0g h ALA 27 Cb 0.16 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3a0g h ALA 27 CO -0.12 -0.75 -0.23 1.25 0.00 0.00 0.00 179.25 179.40 3a0g h LEU 28 N -0.61 0.76 -0.98 0.00 6.46 -1.34 -1.83 115.31 117.77 3a0g h LEU 28 Ca -0.05 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.41 3a0g h LEU 28 Cb 0.45 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 3a0g h LEU 28 CO 0.09 0.96 0.40 1.23 -0.62 0.00 0.00 178.44 180.50 3a0g h GLY 29 N 0.97 1.21 1.69 3.75 0.00 -0.93 -2.70 103.07 107.06 3a0g h GLY 29 Ca 0.09 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.66 3a0g h GLY 29 CO 0.06 0.55 -0.76 3.21 0.00 0.00 0.00 176.54 179.59 3a0g h ARG 30 N 1.12 0.30 -0.89 4.80 3.08 -0.82 -2.84 114.38 119.13 3a0g h ARG 30 Ca 0.28 -0.26 0.13 0.00 0.07 0.00 0.00 59.98 60.20 3a0g h ARG 30 Cb 0.08 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3a0g h ARG 30 CO -0.04 0.92 0.50 1.25 -1.07 0.00 0.00 179.97 181.54 3a0g h LEU 31 N 0.19 0.68 -0.10 3.04 5.85 -1.06 0.21 115.31 124.12 3a0g h LEU 31 Ca -0.03 0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.57 3a0g h LEU 31 Cb 1.34 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3a0g h LEU 31 CO 0.12 0.33 -0.91 -0.07 -0.34 0.00 0.00 178.44 177.57 3a0g h LEU 32 N 0.76 0.00 0.02 2.25 3.38 -1.40 -0.35 115.31 119.97 3a0g h LEU 32 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 3a0g h LEU 32 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3a0g h LEU 32 CO -0.31 0.91 -0.01 0.58 0.09 0.00 0.00 178.44 179.70 3a0g h VAL 33 N 0.00 1.43 -0.29 1.22 2.07 -1.21 -3.34 116.25 116.13 3a0g h VAL 33 Ca -0.01 -1.91 -0.13 0.00 0.82 0.00 0.00 66.70 65.47 3a0g h VAL 33 Cb 1.65 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 34.04 3a0g h VAL 33 CO 0.12 0.46 -0.36 0.58 0.02 0.00 0.00 177.57 178.38 3a0g h VAL 34 N -0.92 1.29 -2.74 2.57 2.07 -0.67 -3.36 116.25 114.48 3a0g h VAL 34 Ca -0.00 -1.51 -0.61 0.00 0.82 0.00 0.00 66.70 65.40 3a0g h VAL 34 Cb 0.77 1.45 -0.42 0.00 -1.52 0.00 0.00 31.29 31.57 3a0g h VAL 34 CO 0.00 0.49 -0.61 -1.22 0.02 0.00 0.00 177.57 176.25 3a0g n TYR 35 N -4.05 3.07 0.17 1.57 4.01 -0.14 -4.99 117.16 116.80 3a0g n TYR 35 Ca -0.01 -4.20 0.15 0.00 -0.16 0.00 0.00 57.90 53.68 3a0g n TYR 35 Cb 0.50 -0.55 0.75 0.00 -0.31 0.00 0.00 39.34 39.72 3a0g n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3a0g h PRO 36 N 4.99 0.00 0.00 -0.72 0.11 -1.73 -1.58 132.00 133.07 3a0g h PRO 36 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3a0g h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3a0g h PRO 36 CO 0.73 0.00 -0.06 0.11 -0.21 0.00 0.00 178.00 178.57 3a0g h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.94 115.95 112.83 3a0g h TRP 37 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.07 3a0g h TRP 37 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.69 3a0g h TRP 37 CO 0.00 0.06 -0.02 1.79 0.09 0.00 0.00 178.44 180.35 3a0g h THR 38 N 0.00 0.20 -0.76 0.12 1.35 -1.60 -2.40 112.91 109.81 3a0g h THR 38 Ca -0.00 -0.19 0.15 0.00 -0.55 0.00 0.00 66.41 65.82 3a0g h THR 38 Cb 0.29 1.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.81 3a0g h THR 38 CO 0.01 0.02 0.51 1.56 -0.25 0.00 0.00 175.52 177.37 3a0g h GLN 39 N 0.00 0.43 -0.97 4.72 4.20 -1.56 -2.02 115.11 119.91 3a0g h GLN 39 Ca -0.00 -0.03 0.27 0.00 0.06 0.00 0.00 58.65 58.95 3a0g h GLN 39 Cb 0.15 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 3a0g h GLN 39 CO 0.00 0.28 0.68 -0.09 -0.67 0.00 0.00 178.83 179.04 3a0g h ARG 40 N 0.44 0.11 0.00 1.46 2.43 -1.64 0.51 114.38 117.69 3a0g h ARG 40 Ca 0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3a0g h ARG 40 Cb 0.82 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3a0g h ARG 40 CO -0.12 0.08 0.00 0.74 -1.51 0.00 0.00 179.97 179.15 3a0g h PHE 41 N 0.12 0.00 -0.51 2.20 -1.00 -1.58 -3.30 116.94 112.87 3a0g h PHE 41 Ca 0.48 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.89 3a0g h PHE 41 Cb 1.70 0.00 -0.33 0.00 3.61 0.00 0.00 35.95 40.93 3a0g h PHE 41 CO -0.00 0.00 -0.80 1.19 -1.61 0.00 0.00 178.31 177.09 3a0g n PHE 42 N -2.33 1.84 0.35 -0.55 3.01 0.16 -4.82 117.46 115.12 3a0g n PHE 42 Ca 0.05 -1.98 0.14 0.00 1.01 0.00 0.00 57.45 56.68 3a0g n PHE 42 Cb 0.43 -0.30 0.55 0.00 -0.01 0.00 0.00 39.48 40.15 3a0g n PHE 42 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3a0g h GLU 43 N 1.93 0.00 0.00 -1.08 4.11 -1.63 -2.60 114.58 115.30 3a0g h GLU 43 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3a0g h GLU 43 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 3a0g h GLU 43 CO 0.49 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.93 3a0g n LYS 44 N -2.66 0.23 0.04 1.06 2.85 -1.26 -2.60 118.16 115.82 3a0g n LYS 44 Ca 0.02 0.03 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 3a0g n LYS 44 Cb 0.30 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.14 3a0g n LYS 44 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3a0g n PHE 45 N -1.03 0.36 0.00 5.58 0.99 -0.98 -5.08 117.46 117.29 3a0g n PHE 45 Ca 0.06 0.10 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3a0g n PHE 45 Cb 0.03 -0.56 0.00 0.00 -1.00 0.00 0.00 39.48 37.96 3a0g n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a0g n GLY 46 N 1.31 -0.21 3.67 1.37 0.00 -1.07 -4.84 105.19 105.41 3a0g n GLY 46 Ca 0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3a0g n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a0g s ASP 47 N -4.00 6.77 -0.11 1.61 3.68 -1.26 -4.87 116.67 118.50 3a0g s ASP 47 Ca 0.00 2.09 0.14 0.00 2.13 0.00 0.00 52.55 56.91 3a0g s ASP 47 Cb 0.00 -2.54 0.28 0.00 -1.45 0.00 0.00 42.92 39.21 3a0g s ASP 47 CO 0.00 -0.84 1.14 0.18 0.13 0.00 0.00 175.17 175.78 3a0g n LEU 48 N 6.54 1.78 -0.48 -1.34 4.77 -1.26 -4.55 117.00 122.45 3a0g n LEU 48 Ca 0.15 -2.72 0.06 0.00 -0.03 0.00 0.00 56.01 53.48 3a0g n LEU 48 Cb 0.43 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 3a0g n LEU 48 CO 0.60 0.76 0.66 -1.54 -1.33 0.00 0.00 177.39 176.53 3a0g n SER 49 N -0.82 1.39 -3.57 -1.43 3.41 -1.26 -4.82 113.62 106.51 3a0g n SER 49 Ca 0.12 -1.90 -0.11 0.00 -0.26 0.00 0.00 58.87 56.72 3a0g n SER 49 Cb 0.73 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3a0g n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a0g s SER 50 N -1.16 -0.35 0.22 4.04 1.04 -1.26 -5.02 113.70 111.20 3a0g s SER 50 Ca 0.22 -0.15 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 3a0g s SER 50 Cb 0.11 0.50 0.23 0.00 0.10 0.00 0.00 66.02 66.97 3a0g s SER 50 CO 0.16 -0.85 1.85 0.00 0.98 0.00 0.00 173.24 175.38 3a0g h ALA 51 N 2.37 0.99 -0.03 5.32 0.00 -1.98 -1.15 119.26 124.77 3a0g h ALA 51 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3a0g h ALA 51 Cb 1.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3a0g h ALA 51 CO 0.44 0.23 0.02 1.03 0.00 0.00 0.00 179.25 180.97 3a0g h SER 52 N 0.89 0.04 0.12 0.00 0.87 -1.98 0.76 113.55 114.25 3a0g h SER 52 Ca 0.31 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 3a0g h SER 52 Cb 0.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3a0g h SER 52 CO -0.13 0.05 -0.16 0.00 -0.53 0.00 0.00 176.83 176.06 3a0g h ALA 53 N 0.99 1.63 -0.16 6.23 0.00 -1.80 -2.71 119.26 123.44 3a0g h ALA 53 Ca 0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3a0g h ALA 53 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a0g h ALA 53 CO -0.00 0.28 -0.23 0.82 0.00 0.00 0.00 179.25 180.11 3a0g h ILE 54 N 0.08 1.35 0.00 0.00 2.04 -0.28 -2.61 117.51 118.10 3a0g h ILE 54 Ca 0.02 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3a0g h ILE 54 Cb 0.34 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3a0g h ILE 54 CO 0.02 0.43 0.00 0.24 0.00 0.00 0.00 178.15 178.85 3a0g h MET 55 N 0.06 0.00 0.00 2.37 2.86 -0.79 -2.90 114.93 116.52 3a0g h MET 55 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3a0g h MET 55 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3a0g h MET 55 CO 0.05 0.00 -1.17 0.43 1.06 0.00 0.00 176.91 177.28 3a0g n SER 56 N -2.82 0.70 -4.69 1.22 7.64 -1.03 -4.98 113.62 109.66 3a0g n SER 56 Ca 0.02 -0.61 -0.42 0.00 1.01 0.00 0.00 58.87 58.87 3a0g n SER 56 Cb 0.32 1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 64.60 3a0g n SER 56 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3a0g s ASN 57 N -3.47 7.01 0.29 6.43 3.84 -0.99 -4.94 114.94 123.12 3a0g s ASN 57 Ca 0.04 1.91 0.09 0.00 0.21 0.00 0.00 52.86 55.11 3a0g s ASN 57 Cb 0.15 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.72 3a0g s ASN 57 CO 0.85 -0.60 1.66 0.00 -2.79 0.00 0.00 177.10 176.23 3a0g h ALA 58 N 7.44 1.06 -0.08 1.71 0.00 -1.92 -2.67 119.26 124.81 3a0g h ALA 58 Ca -0.36 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 3a0g h ALA 58 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3a0g h ALA 58 CO 0.88 0.66 -0.58 0.45 0.00 0.00 0.00 179.25 180.66 3a0g h HIS 59 N 0.09 0.30 -0.33 0.00 3.86 -1.92 -2.33 115.15 114.83 3a0g h HIS 59 Ca 0.00 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3a0g h HIS 59 Cb 0.95 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.34 3a0g h HIS 59 CO 0.01 0.76 0.19 0.28 0.86 0.00 0.00 177.93 180.03 3a0g h VAL 60 N 0.18 1.12 -0.57 2.45 2.07 -1.84 0.73 116.25 120.39 3a0g h VAL 60 Ca -0.00 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3a0g h VAL 60 Cb 1.07 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3a0g h VAL 60 CO 0.09 0.13 0.33 0.11 0.02 0.00 0.00 177.57 178.25 3a0g h LYS 61 N 0.42 0.63 0.07 1.57 1.57 -1.37 -0.53 116.57 118.93 3a0g h LYS 61 Ca 0.12 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 3a0g h LYS 61 Cb 0.03 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.22 3a0g h LYS 61 CO -0.02 0.42 -0.93 1.03 -0.57 0.00 0.00 179.45 179.37 3a0g h SER 62 N 0.65 0.69 -0.61 0.86 0.87 -1.39 -0.67 113.55 113.95 3a0g h SER 62 Ca 0.24 -0.82 -0.08 0.00 -1.23 0.00 0.00 61.79 59.89 3a0g h SER 62 Cb 0.06 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 3a0g h SER 62 CO -0.12 1.44 0.07 -0.74 -0.53 0.00 0.00 176.83 176.95 3a0g h HIS 63 N 0.04 1.12 -0.69 2.24 -0.00 -0.84 -1.87 115.15 115.16 3a0g h HIS 63 Ca -0.14 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3a0g h HIS 63 Cb 1.65 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 28.72 3a0g h HIS 63 CO 0.14 0.96 0.44 0.78 -0.00 0.00 0.00 177.93 180.25 3a0g h GLY 64 N 1.03 0.97 1.03 5.26 0.00 -1.07 0.17 103.07 110.47 3a0g h GLY 64 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3a0g h GLY 64 CO 0.02 0.37 0.61 0.00 0.00 0.00 0.00 176.54 177.54 3a0g h ALA 65 N 1.24 1.26 -0.25 3.60 0.00 -0.95 -1.15 119.26 123.01 3a0g h ALA 65 Ca 0.25 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a0g h ALA 65 Cb -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 3a0g h ALA 65 CO -0.05 0.66 -0.14 -0.22 0.00 0.00 0.00 179.25 179.50 3a0g h LYS 66 N 1.32 0.53 -0.12 0.00 3.64 -0.48 -1.87 116.57 119.59 3a0g h LYS 66 Ca 0.35 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3a0g h LYS 66 Cb -0.11 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3a0g h LYS 66 CO -0.07 0.80 0.03 0.28 -2.27 0.00 0.00 179.45 178.22 3a0g h VAL 67 N 0.25 0.96 -0.44 2.00 2.07 -0.88 -2.31 116.25 117.89 3a0g h VAL 67 Ca 0.05 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3a0g h VAL 67 Cb 0.65 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3a0g h VAL 67 CO 0.04 0.02 0.26 -0.07 0.02 0.00 0.00 177.57 177.83 3a0g h LEU 68 N 0.09 0.53 -1.07 2.57 4.07 -1.08 -1.01 115.31 119.41 3a0g h LEU 68 Ca 0.05 -0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.93 3a0g h LEU 68 Cb 0.04 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3a0g h LEU 68 CO -0.06 0.42 0.01 0.00 -1.08 0.00 0.00 178.44 177.72 3a0g h ALA 69 N 1.67 1.24 0.02 1.53 0.00 -1.15 0.28 119.26 122.86 3a0g h ALA 69 Ca 0.16 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 3a0g h ALA 69 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a0g h ALA 69 CO -0.03 0.51 -1.06 0.66 0.00 0.00 0.00 179.25 179.34 3a0g h SER 70 N 0.63 0.07 -0.08 0.00 4.64 -1.03 -1.42 113.55 116.35 3a0g h SER 70 Ca 0.13 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.40 3a0g h SER 70 Cb 0.38 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3a0g h SER 70 CO 0.01 1.06 -0.09 0.15 -0.87 0.00 0.00 176.83 177.09 3a0g h PHE 71 N 0.01 -0.22 -0.52 4.77 3.57 -0.80 -1.50 116.94 122.24 3a0g h PHE 71 Ca -0.04 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3a0g h PHE 71 Cb 1.81 0.11 -0.10 0.00 2.79 0.00 0.00 35.95 40.56 3a0g h PHE 71 CO 0.01 -0.14 -0.19 1.03 -2.23 0.00 0.00 178.31 176.80 3a0g h SER 72 N -0.11 -0.66 -0.58 0.41 0.87 -0.36 -0.93 113.55 112.18 3a0g h SER 72 Ca 0.06 0.17 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 3a0g h SER 72 Cb 0.21 0.39 -0.08 0.00 -0.44 0.00 0.00 62.40 62.47 3a0g h SER 72 CO -0.15 -0.22 0.12 -0.08 -0.53 0.00 0.00 176.83 175.97 3a0g h GLU 73 N -0.07 0.25 -0.67 2.24 4.57 -1.20 -2.15 114.58 117.56 3a0g h GLU 73 Ca 0.25 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.53 3a0g h GLU 73 Cb 0.45 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 3a0g h GLU 73 CO -0.57 0.17 0.45 0.78 -1.18 0.00 0.00 179.01 178.65 3a0g h GLY 74 N 0.26 0.63 2.00 1.92 0.00 -0.11 -1.86 103.07 105.90 3a0g h GLY 74 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3a0g h GLY 74 CO -0.39 0.09 0.00 1.41 0.00 0.00 0.00 176.54 177.65 3a0g h LEU 75 N 0.41 0.00 -1.78 3.11 4.07 -0.63 -2.16 115.31 118.33 3a0g h LEU 75 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 3a0g h LEU 75 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3a0g h LEU 75 CO -0.09 0.00 0.00 2.29 -1.08 0.00 0.00 178.44 179.56 3a0g n LYS 76 N -2.94 2.19 -2.71 1.13 2.85 -0.70 -4.10 118.16 113.88 3a0g n LYS 76 Ca 0.00 -1.69 -0.06 0.00 -1.05 0.00 0.00 58.31 55.51 3a0g n LYS 76 Cb 0.24 -1.41 0.05 0.00 -0.65 0.00 0.00 35.03 33.26 3a0g n LYS 76 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3a0g n HIS 77 N 0.81 0.51 -0.11 5.58 8.25 -0.82 -4.95 115.22 124.51 3a0g n HIS 77 Ca 0.16 -2.45 0.19 0.00 -0.26 0.00 0.00 57.72 55.35 3a0g n HIS 77 Cb 0.43 0.03 0.60 0.00 1.12 0.00 0.00 29.99 32.17 3a0g n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3a0g h LEU 78 N 2.65 0.20 -0.88 2.41 3.38 -1.70 -0.50 115.31 120.88 3a0g h LEU 78 Ca -0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3a0g h LEU 78 Cb 1.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3a0g h LEU 78 CO 0.30 0.10 0.00 0.06 0.09 0.00 0.00 178.44 179.00 3a0g h GLN 79 N 0.22 0.00 -2.03 1.13 -0.00 -1.92 -3.37 115.11 109.13 3a0g h GLN 79 Ca 0.33 0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 58.45 3a0g h GLN 79 Cb 1.01 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.09 3a0g h GLN 79 CO -0.07 0.00 -1.07 -3.47 -0.00 0.00 0.00 178.83 174.22 3a0g n ASP 80 N -2.80 1.02 -0.28 0.06 2.03 -0.20 -4.95 116.55 111.43 3a0g n ASP 80 Ca 0.02 -2.95 -0.05 0.00 0.52 0.00 0.00 54.79 52.33 3a0g n ASP 80 Cb 0.34 -0.63 0.06 0.00 -0.72 0.00 0.00 41.12 40.17 3a0g n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3a0g h LEU 81 N 3.53 0.99 -0.44 -2.67 4.07 -1.73 -1.54 115.31 117.52 3a0g h LEU 81 Ca 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3a0g h LEU 81 Cb 0.87 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 3a0g h LEU 81 CO 0.53 0.83 0.25 0.11 -1.08 0.00 0.00 178.44 179.08 3a0g h LYS 82 N 1.08 0.62 0.23 1.13 1.57 -1.92 0.06 116.57 119.33 3a0g h LYS 82 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3a0g h LYS 82 Cb 0.09 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3a0g h LYS 82 CO -0.04 0.48 -0.11 0.78 -0.57 0.00 0.00 179.45 180.00 3a0g h GLY 83 N 0.58 -0.32 -0.08 3.86 0.00 -1.92 -0.88 103.07 104.31 3a0g h GLY 83 Ca 0.16 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.74 3a0g h GLY 83 CO -0.03 -0.12 0.05 -0.84 0.00 0.00 0.00 176.54 175.61 3a0g h THR 84 N -0.46 0.49 -0.42 4.70 2.02 -1.18 -2.90 112.91 115.14 3a0g h THR 84 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3a0g h THR 84 Cb 0.35 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3a0g h THR 84 CO 0.05 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.46 3a0g n PHE 85 N -5.25 0.56 -0.04 3.16 3.01 -0.00 -4.59 117.46 114.31 3a0g n PHE 85 Ca 0.11 -0.28 0.01 0.00 1.01 0.00 0.00 57.45 58.30 3a0g n PHE 85 Cb 0.39 0.00 0.33 0.00 -0.01 0.00 0.00 39.48 40.19 3a0g n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a0g h ALA 86 N 4.24 1.49 -0.04 4.37 0.00 -0.95 -0.08 119.26 128.30 3a0g h ALA 86 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3a0g h ALA 86 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3a0g h ALA 86 CO 0.00 0.40 -0.79 0.87 0.00 0.00 0.00 179.25 179.72 3a0g h LYS 87 N 0.62 0.30 -0.04 0.00 1.57 -1.83 -2.39 116.57 114.80 3a0g h LYS 87 Ca 0.15 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3a0g h LYS 87 Cb 0.13 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3a0g h LYS 87 CO -0.01 0.95 -0.67 -0.07 -0.57 0.00 0.00 179.45 179.08 3a0g h LEU 88 N 0.19 0.21 0.29 2.94 3.38 -1.76 -1.60 115.31 118.96 3a0g h LEU 88 Ca -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3a0g h LEU 88 Cb 1.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3a0g h LEU 88 CO 0.13 0.82 -0.19 -1.28 0.09 0.00 0.00 178.44 178.01 3a0g h SER 89 N 0.13 -0.49 -0.28 -0.43 0.87 -0.86 0.54 113.55 113.03 3a0g h SER 89 Ca -0.01 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3a0g h SER 89 Cb 1.20 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 3a0g h SER 89 CO 0.10 -0.31 -0.00 -0.08 -0.53 0.00 0.00 176.83 176.01 3a0g h GLU 90 N -0.48 0.08 -0.25 2.24 4.81 -1.31 0.15 114.58 119.82 3a0g h GLU 90 Ca -0.03 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3a0g h GLU 90 Cb 0.41 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3a0g h GLU 90 CO 0.02 0.05 0.07 1.25 -0.73 0.00 0.00 179.01 179.67 3a0g h LEU 91 N 0.08 0.07 -0.02 1.64 5.85 -1.06 0.24 115.31 122.10 3a0g h LEU 91 Ca 0.13 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.62 3a0g h LEU 91 Cb 0.18 0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3a0g h LEU 91 CO -0.23 0.07 -1.05 0.45 -0.34 0.00 0.00 178.44 177.34 3a0g h HIS 92 N 0.18 0.94 0.04 1.25 3.86 -0.63 -1.70 115.15 119.09 3a0g h HIS 92 Ca 0.11 -0.52 -0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3a0g h HIS 92 Cb 0.09 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3a0g h HIS 92 CO -0.14 1.36 -0.02 0.00 0.86 0.00 0.00 177.93 179.99 3a0g n ASP 94 N -4.75 2.07 0.07 0.00 10.43 0.83 -2.68 116.55 122.52 3a0g n ASP 94 Ca -0.08 0.24 -0.21 0.00 2.57 0.00 0.00 54.79 57.30 3a0g n ASP 94 Cb 0.34 -0.86 -0.15 0.00 1.84 0.00 0.00 41.12 42.29 3a0g n ASP 94 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3a0g h LYS 95 N -0.15 0.36 0.00 -1.24 1.79 -1.35 -3.40 116.57 112.57 3a0g h LYS 95 Ca -0.42 -0.61 -0.06 0.00 -2.18 0.00 0.00 60.65 57.38 3a0g h LYS 95 Cb 1.88 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 32.75 3a0g h LYS 95 CO 0.01 1.29 -1.88 1.28 -1.08 0.00 0.00 179.45 179.08 3a0g n LEU 96 N -4.00 0.00 -2.08 2.94 4.77 -0.68 -5.02 117.00 112.94 3a0g n LEU 96 Ca -0.16 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 3a0g n LEU 96 Cb 0.91 0.08 0.04 0.00 -2.33 0.00 0.00 43.42 42.12 3a0g n LEU 96 CO 0.51 0.08 0.12 1.41 -1.33 0.00 0.00 177.39 178.18 3a0g n HIS 97 N -2.22 -1.45 -3.01 -1.77 8.25 -0.02 -4.94 115.22 110.06 3a0g n HIS 97 Ca -0.08 0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 57.48 3a0g n HIS 97 Cb 0.58 -3.07 -0.05 0.00 1.12 0.00 0.00 29.99 28.56 3a0g n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a0g s VAL 98 N -3.16 4.83 0.16 1.59 1.01 -0.79 -4.99 120.40 119.05 3a0g s VAL 98 Ca 0.29 1.01 -0.34 0.00 0.00 0.00 0.00 61.98 62.93 3a0g s VAL 98 Cb -0.13 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.00 3a0g s VAL 98 CO 0.37 -0.25 1.42 -0.67 0.00 0.00 0.00 175.10 175.97 3a0g n ASP 99 N 6.14 2.38 0.18 3.32 2.03 -1.26 -4.75 116.55 124.58 3a0g n ASP 99 Ca 0.02 1.11 0.18 0.00 0.52 0.00 0.00 54.79 56.63 3a0g n ASP 99 Cb 0.48 -1.33 0.79 0.00 -0.72 0.00 0.00 41.12 40.34 3a0g n ASP 99 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a0g h PRO 100 N 4.81 0.00 -0.87 -0.67 0.11 -1.98 -0.45 132.00 132.95 3a0g h PRO 100 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 3a0g h PRO 100 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3a0g h PRO 100 CO 0.80 0.00 0.58 1.49 -0.21 0.00 0.00 178.00 180.66 3a0g h GLU 101 N 0.00 1.10 0.00 1.05 4.57 -1.99 -1.13 114.58 118.18 3a0g h GLU 101 Ca 0.12 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3a0g h GLU 101 Cb 0.85 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3a0g h GLU 101 CO -0.00 0.73 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.51 3a0g h ASN 102 N 1.14 0.00 -0.18 1.04 4.21 -1.44 -2.23 115.58 118.12 3a0g h ASN 102 Ca 0.33 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.78 3a0g h ASN 102 Cb -0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 3a0g h ASN 102 CO -0.09 0.14 -0.09 -0.26 -1.29 0.00 0.00 177.43 175.84 3a0g h PHE 103 N 0.00 0.57 -0.02 1.19 0.04 -1.33 -1.72 116.94 115.65 3a0g h PHE 103 Ca -0.00 -0.08 -0.17 0.00 2.80 0.00 0.00 57.97 60.52 3a0g h PHE 103 Cb 0.36 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3a0g h PHE 103 CO 0.00 0.61 -0.75 0.00 -0.60 0.00 0.00 178.31 177.57 3a0g h ARG 104 N 0.50 0.18 -0.33 1.51 3.08 -1.42 -1.70 114.38 116.19 3a0g h ARG 104 Ca 0.10 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3a0g h ARG 104 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3a0g h ARG 104 CO 0.02 0.85 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.65 3a0g h LEU 105 N 0.11 0.61 -0.56 3.04 3.38 -1.33 -0.47 115.31 120.09 3a0g h LEU 105 Ca -0.02 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3a0g h LEU 105 Cb 1.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3a0g h LEU 105 CO 0.11 0.81 0.24 0.25 0.09 0.00 0.00 178.44 179.94 3a0g h LEU 106 N 0.39 0.75 -0.75 1.67 5.85 -1.23 0.74 115.31 122.73 3a0g h LEU 106 Ca 0.09 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3a0g h LEU 106 Cb 0.52 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3a0g h LEU 106 CO 0.03 0.70 0.41 1.23 -0.34 0.00 0.00 178.44 180.46 3a0g h GLY 107 N 0.76 1.15 1.65 3.75 0.00 -1.16 0.25 103.07 109.45 3a0g h GLY 107 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3a0g h GLY 107 CO -0.02 0.10 -0.12 3.43 0.00 0.00 0.00 176.54 179.94 3a0g h ASN 108 N 0.69 0.41 0.47 0.19 -0.26 -0.37 -2.23 115.58 114.49 3a0g h ASN 108 Ca 0.36 -0.10 -0.09 0.00 -0.56 0.00 0.00 56.30 55.92 3a0g h ASN 108 Cb 0.34 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 3a0g h ASN 108 CO -0.25 0.56 -0.42 0.24 -1.06 0.00 0.00 177.43 176.51 3a0g h MET 109 N 0.40 0.00 -0.10 0.81 2.86 0.14 -2.43 114.93 116.61 3a0g h MET 109 Ca 0.08 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.50 3a0g h MET 109 Cb 0.45 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.12 3a0g h MET 109 CO 0.03 0.42 -0.82 1.25 1.06 0.00 0.00 176.91 178.84 3a0g h LEU 110 N 0.00 0.76 -0.11 1.22 6.46 -0.43 0.18 115.31 123.39 3a0g h LEU 110 Ca -0.00 -0.52 0.03 0.00 -0.12 0.00 0.00 57.88 57.26 3a0g h LEU 110 Cb 0.76 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 3a0g h LEU 110 CO 0.05 1.31 -0.05 0.74 -0.62 0.00 0.00 178.44 179.88 3a0g h THR 111 N 0.41 0.84 -0.46 1.05 2.02 -1.18 -0.58 112.91 115.01 3a0g h THR 111 Ca -0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.18 3a0g h THR 111 Cb 1.43 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 3a0g h THR 111 CO 0.16 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.62 3a0g h ILE 112 N -0.03 0.87 -0.38 3.11 2.04 -1.41 -1.00 117.51 120.72 3a0g h ILE 112 Ca 0.06 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3a0g h ILE 112 Cb 0.12 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3a0g h ILE 112 CO -0.13 0.06 0.18 0.00 0.00 0.00 0.00 178.15 178.26 3a0g h ALA 113 N 1.30 0.47 -0.36 1.87 0.00 -0.33 -0.10 119.26 122.11 3a0g h ALA 113 Ca 0.22 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3a0g h ALA 113 Cb 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a0g h ALA 113 CO -0.21 -0.18 -0.03 -0.84 0.00 0.00 0.00 179.25 177.99 3a0g h ILE 114 N 0.38 1.22 -0.29 0.00 3.07 -0.78 -1.78 117.51 119.32 3a0g h ILE 114 Ca 0.16 -0.89 -0.10 0.00 1.55 0.00 0.00 64.86 65.58 3a0g h ILE 114 Cb 0.08 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 3a0g h ILE 114 CO -0.12 0.30 -0.26 0.00 -1.05 0.00 0.00 178.15 177.02 3a0g h ALA 115 N 1.43 1.01 -0.21 0.16 0.00 -0.56 -0.72 119.26 120.37 3a0g h ALA 115 Ca 0.11 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3a0g h ALA 115 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a0g h ALA 115 CO 0.02 0.59 -0.58 1.25 0.00 0.00 0.00 179.25 180.53 3a0g h HIS 116 N 0.49 0.99 0.00 0.00 -0.00 -0.68 -2.93 115.15 113.03 3a0g h HIS 116 Ca 0.07 -0.39 -0.13 0.00 -0.00 0.00 0.00 60.37 59.92 3a0g h HIS 116 Cb 0.71 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 3a0g h HIS 116 CO 0.03 1.20 -0.85 0.45 -0.00 0.00 0.00 177.93 178.76 3a0g h HIS 117 N 0.50 0.00 -2.17 5.26 -0.00 -1.31 -3.37 115.15 114.06 3a0g h HIS 117 Ca -0.01 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.80 3a0g h HIS 117 Cb 1.19 0.00 -0.41 0.00 -0.00 0.00 0.00 27.41 28.19 3a0g h HIS 117 CO 0.09 0.55 -0.80 0.72 -0.00 0.00 0.00 177.93 178.49 3a0g n HIS 118 N -3.11 3.00 -0.37 2.45 -0.00 -0.28 -4.95 115.22 111.96 3a0g n HIS 118 Ca -0.02 -3.91 -0.05 0.00 -0.00 0.00 0.00 57.72 53.74 3a0g n HIS 118 Cb 0.78 -0.46 -0.02 0.00 -0.00 0.00 0.00 29.99 30.29 3a0g n HIS 118 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3a0g n PRO 119 N -0.12 -0.30 0.10 -0.41 -0.03 -1.10 -2.41 135.00 130.73 3a0g n PRO 119 Ca 0.29 1.41 -0.05 0.00 -0.03 0.00 0.00 63.50 65.12 3a0g n PRO 119 Cb 0.47 -2.08 0.03 0.00 -0.03 0.00 0.00 33.50 31.90 3a0g n PRO 119 CO 0.00 0.00 0.00 0.77 -0.03 0.00 0.00 175.50 176.24 3a0g h SER 120 N 0.00 0.09 1.17 2.55 0.02 -1.92 -3.23 113.55 112.23 3a0g h SER 120 Ca 0.24 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3a0g h SER 120 Cb 0.47 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3a0g h SER 120 CO -0.89 0.85 -0.28 -0.62 -1.14 0.00 0.00 176.83 174.75 3a0g n GLU 121 N -3.64 0.26 -2.95 3.45 4.71 -1.07 -4.64 120.64 116.75 3a0g n GLU 121 Ca -0.02 0.15 -0.43 0.00 -0.01 0.00 0.00 57.16 56.85 3a0g n GLU 121 Cb 0.76 -1.73 0.01 0.00 -1.01 0.00 0.00 31.44 29.47 3a0g n GLU 121 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3a0g n PHE 122 N -2.14 3.18 -2.00 -0.32 7.35 -1.01 -4.84 117.46 117.68 3a0g n PHE 122 Ca 0.05 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 3a0g n PHE 122 Cb 0.43 -1.54 0.04 0.00 0.35 0.00 0.00 39.48 38.76 3a0g n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3a0g s THR 123 N -1.62 3.71 0.29 -2.13 -4.23 -1.26 -4.73 115.64 105.68 3a0g s THR 123 Ca 0.33 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.32 3a0g s THR 123 Cb 0.02 -3.53 0.31 0.00 1.34 0.00 0.00 72.50 70.63 3a0g s THR 123 CO 0.04 -0.67 1.66 -0.65 -0.54 0.00 0.00 174.62 174.46 3a0g h PRO 124 N -0.50 0.26 -0.73 3.99 0.11 -1.99 -0.74 132.00 132.40 3a0g h PRO 124 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3a0g h PRO 124 Cb 1.24 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3a0g h PRO 124 CO 0.63 0.17 0.37 0.00 -0.21 0.00 0.00 178.00 178.95 3a0g h THR 126 N 1.02 1.27 -0.72 0.00 2.02 -1.65 -2.24 112.91 112.60 3a0g h THR 126 Ca 0.25 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 3a0g h THR 126 Cb 0.09 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3a0g h THR 126 CO -0.03 0.45 0.32 -0.61 0.37 0.00 0.00 175.52 176.01 3a0g h GLN 127 N 0.78 1.05 -0.16 6.66 4.15 -1.04 -2.73 115.11 123.82 3a0g h GLN 127 Ca 0.11 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3a0g h GLN 127 Cb 0.72 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3a0g h GLN 127 CO 0.06 0.83 0.10 0.00 -1.93 0.00 0.00 178.83 177.88 3a0g h ALA 128 N 1.31 0.21 -0.82 3.38 0.00 -0.58 -0.92 119.26 121.83 3a0g h ALA 128 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3a0g h ALA 128 Cb 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3a0g h ALA 128 CO -0.03 -0.28 0.50 0.00 0.00 0.00 0.00 179.25 179.44 3a0g h ALA 129 N 1.01 1.12 0.00 0.00 0.00 -1.40 -2.79 119.26 117.21 3a0g h ALA 129 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3a0g h ALA 129 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a0g h ALA 129 CO -0.01 0.24 -0.46 0.74 0.00 0.00 0.00 179.25 179.76 3a0g h PHE 130 N 0.92 0.00 -0.29 0.00 -1.00 -1.14 -2.44 116.94 112.99 3a0g h PHE 130 Ca 0.36 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.06 3a0g h PHE 130 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 3a0g h PHE 130 CO -0.04 0.46 -0.11 1.96 -1.61 0.00 0.00 178.31 178.98 3a0g h GLN 131 N 0.00 0.59 -0.35 1.51 1.08 -0.91 -1.13 115.11 115.90 3a0g h GLN 131 Ca -0.00 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 3a0g h GLN 131 Cb 0.90 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 3a0g h GLN 131 CO 0.06 0.81 0.20 0.87 -0.95 0.00 0.00 178.83 179.81 3a0g h LYS 132 N 0.34 0.49 0.14 1.46 1.57 -1.37 -0.51 116.57 118.70 3a0g h LYS 132 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3a0g h LYS 132 Cb 0.61 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3a0g h LYS 132 CO 0.04 0.40 -0.07 0.28 -0.57 0.00 0.00 179.45 179.53 3a0g h VAL 133 N 0.45 0.94 -0.90 0.50 2.07 -1.40 0.93 116.25 118.83 3a0g h VAL 133 Ca 0.12 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3a0g h VAL 133 Cb 0.05 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3a0g h VAL 133 CO -0.02 0.07 0.58 0.71 0.02 0.00 0.00 177.57 178.93 3a0g h THR 134 N -0.31 1.03 -0.77 2.57 1.35 -1.22 0.24 112.91 115.80 3a0g h THR 134 Ca -0.02 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.45 3a0g h THR 134 Cb 0.25 -0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 66.60 3a0g h THR 134 CO 0.03 0.18 0.28 0.00 -0.25 0.00 0.00 175.52 175.76 3a0g h ALA 135 N 1.53 1.03 -0.65 6.62 0.00 -0.40 -0.76 119.26 126.64 3a0g h ALA 135 Ca 0.40 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3a0g h ALA 135 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3a0g h ALA 135 CO -0.16 0.67 0.14 0.78 0.00 0.00 0.00 179.25 180.68 3a0g h GLY 136 N 1.14 1.13 0.89 0.00 0.00 0.27 -1.67 103.07 104.84 3a0g h GLY 136 Ca 0.25 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3a0g h GLY 136 CO -0.02 0.68 -0.12 -2.08 0.00 0.00 0.00 176.54 175.00 3a0g h VAL 137 N 0.97 1.29 -0.34 4.60 2.07 -0.21 -0.09 116.25 124.55 3a0g h VAL 137 Ca 0.20 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3a0g h VAL 137 Cb 0.39 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3a0g h VAL 137 CO 0.01 0.38 -0.06 0.00 0.02 0.00 0.00 177.57 177.92 3a0g h ALA 138 N 0.75 0.25 -0.50 1.67 0.00 -1.06 -0.99 119.26 119.38 3a0g h ALA 138 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a0g h ALA 138 Cb 0.63 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3a0g h ALA 138 CO 0.04 -0.44 0.22 -0.91 0.00 0.00 0.00 179.25 178.15 3a0g h ASN 139 N 0.03 0.63 0.24 0.00 -0.26 -1.06 -1.52 115.58 113.64 3a0g h ASN 139 Ca 0.16 -0.06 -0.17 0.00 -0.56 0.00 0.00 56.30 55.67 3a0g h ASN 139 Cb 0.24 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3a0g h ASN 139 CO -0.32 0.56 -0.65 0.00 -1.06 0.00 0.00 177.43 175.95 3a0g h ALA 140 N 1.54 0.70 -0.02 -0.83 0.00 -0.52 -2.88 119.26 117.25 3a0g h ALA 140 Ca 0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 3a0g h ALA 140 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a0g h ALA 140 CO -0.02 0.74 -0.45 -0.07 0.00 0.00 0.00 179.25 179.45 3a0g h LEU 141 N 0.28 0.04 -0.37 0.00 3.38 -0.79 -3.10 115.31 114.74 3a0g h LEU 141 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a0g h LEU 141 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3a0g h LEU 141 CO 0.11 0.48 -0.06 0.00 0.09 0.00 0.00 178.44 179.06 3a0g n ALA 142 N -2.46 2.71 0.16 1.53 0.00 -0.61 -4.41 120.51 117.43 3a0g n ALA 142 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.18 3a0g n ALA 142 Cb 0.48 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 19.13 3a0g n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a0g h HIS 143 N 0.91 0.19 -0.01 0.00 6.17 -1.43 -3.51 115.15 117.47 3a0g h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3a0g h HIS 143 Cb 0.31 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.18 3a0g h HIS 143 CO 0.00 0.16 0.00 1.63 0.71 0.00 0.00 177.93 180.43