#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0u s LEU 2 N 0.00 4.32 0.74 7.52 1.43 -1.26 -5.03 118.68 126.40 1a0u s LEU 2 Ca 0.00 1.69 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1a0u s LEU 2 Cb 0.00 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.71 1a0u s LEU 2 CO 0.00 -0.39 1.10 -0.94 0.23 0.00 0.00 176.35 176.35 1a0u s SER 3 N 1.11 4.84 0.33 2.29 1.04 -1.26 -4.85 113.70 117.19 1a0u s SER 3 Ca 0.52 0.74 0.02 0.00 0.48 0.00 0.00 55.95 57.71 1a0u s SER 3 Cb -0.22 -1.37 0.58 0.00 0.10 0.00 0.00 66.02 65.11 1a0u s SER 3 CO 0.24 -1.66 1.92 -0.65 0.98 0.00 0.00 173.24 174.08 1a0u h PRO 4 N -0.79 0.71 -0.46 4.02 0.11 -1.99 -0.28 132.00 133.32 1a0u h PRO 4 Ca -0.45 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1a0u h PRO 4 Cb 1.31 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1a0u h PRO 4 CO 0.64 0.59 0.14 0.00 -0.21 0.00 0.00 178.00 179.15 1a0u h ALA 5 N 1.51 0.60 0.17 -0.75 0.00 -1.99 -1.96 119.26 116.84 1a0u h ALA 5 Ca 0.17 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a0u h ALA 5 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1a0u h ALA 5 CO -0.02 0.26 -0.21 -0.44 0.00 0.00 0.00 179.25 178.85 1a0u h ASP 6 N 0.61 -0.56 -0.90 0.00 3.32 -1.78 0.16 116.42 117.26 1a0u h ASP 6 Ca 0.15 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.35 1a0u h ASP 6 Cb 0.28 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1a0u h ASP 6 CO -0.00 -0.30 0.58 0.11 -1.72 0.00 0.00 179.24 177.91 1a0u h LYS 7 N -0.43 0.89 0.14 3.56 1.57 -0.89 0.71 116.57 122.12 1a0u h LYS 7 Ca 0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1a0u h LYS 7 Cb 0.42 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1a0u h LYS 7 CO -0.07 0.59 -0.07 1.15 -0.57 0.00 0.00 179.45 180.48 1a0u h THR 8 N 0.92 0.98 -0.45 -0.16 2.02 -0.85 -1.23 112.91 114.13 1a0u h THR 8 Ca 0.41 -0.48 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1a0u h THR 8 Cb 0.37 1.28 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 1a0u h THR 8 CO -0.18 0.12 0.01 0.78 0.37 0.00 0.00 175.52 176.62 1a0u h ASN 9 N -0.41 -0.17 -0.05 4.18 2.35 0.01 0.47 115.58 121.96 1a0u h ASN 9 Ca -0.02 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1a0u h ASN 9 Cb 0.33 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1a0u h ASN 9 CO 0.03 -0.05 0.02 0.58 -1.65 0.00 0.00 177.43 176.37 1a0u h VAL 10 N 0.12 1.12 -0.67 2.81 2.07 -0.82 -1.46 116.25 119.42 1a0u h VAL 10 Ca 0.22 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1a0u h VAL 10 Cb 0.32 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1a0u h VAL 10 CO -0.36 0.10 0.38 0.11 0.02 0.00 0.00 177.57 177.81 1a0u h LYS 11 N -0.05 0.92 0.75 1.57 1.57 -0.88 -0.76 116.57 119.68 1a0u h LYS 11 Ca 0.02 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1a0u h LYS 11 Cb 0.13 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1a0u h LYS 11 CO -0.00 0.66 -0.36 0.00 -0.57 0.00 0.00 179.45 179.18 1a0u h ALA 12 N 1.49 -1.06 -0.53 3.86 0.00 -0.68 -1.14 119.26 121.20 1a0u h ALA 12 Ca 0.24 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1a0u h ALA 12 Cb 0.01 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1a0u h ALA 12 CO -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 179.25 178.22 1a0u h ALA 13 N -1.34 0.49 0.00 0.00 0.00 -1.19 0.22 119.26 117.44 1a0u h ALA 13 Ca -0.10 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1a0u h ALA 13 Cb 0.77 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1a0u h ALA 13 CO 0.17 -0.39 -0.35 2.35 0.00 0.00 0.00 179.25 181.03 1a0u h TRP 14 N 0.11 0.00 -0.95 0.00 2.91 -1.20 -2.53 115.95 114.28 1a0u h TRP 14 Ca 0.27 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1a0u h TRP 14 Cb 0.41 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 1a0u h TRP 14 CO -0.33 0.35 0.60 0.78 -1.03 0.00 0.00 178.44 178.81 1a0u h GLY 15 N 1.32 1.37 2.00 2.65 0.00 0.36 -2.11 103.07 108.66 1a0u h GLY 15 Ca -0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 1a0u h GLY 15 CO 0.04 0.53 -0.56 0.50 0.00 0.00 0.00 176.54 177.06 1a0u h LYS 16 N 1.31 0.00 0.01 4.80 1.79 -1.01 -3.24 116.57 120.23 1a0u h LYS 16 Ca 0.35 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.84 1a0u h LYS 16 Cb -0.10 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 1a0u h LYS 16 CO -0.07 0.56 -0.15 0.28 -1.08 0.00 0.00 179.45 178.98 1a0u h VAL 17 N 0.00 0.63 0.00 0.50 2.07 -1.20 -3.46 116.25 114.80 1a0u h VAL 17 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1a0u h VAL 17 Cb 1.06 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1a0u h VAL 17 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1a0u n GLY 18 N -1.28 3.04 0.00 2.17 0.00 -1.18 -1.74 105.19 106.19 1a0u n GLY 18 Ca -0.05 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1a0u n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0u n ALA 19 N 9.80 1.51 1.05 4.61 0.00 -1.26 -2.33 120.51 133.89 1a0u n ALA 19 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1a0u n ALA 19 Cb 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 18.43 1a0u n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0u n HIS 20 N -1.27 0.00 -0.27 0.00 8.25 -0.71 -4.59 115.22 116.63 1a0u n HIS 20 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.57 1a0u n HIS 20 Cb 0.05 -0.01 0.22 0.00 1.12 0.00 0.00 29.99 31.37 1a0u n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a0u h ALA 21 N 4.15 1.13 -0.49 -1.41 0.00 -1.58 0.04 119.26 121.10 1a0u h ALA 21 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1a0u h ALA 21 Cb 0.79 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1a0u h ALA 21 CO 0.00 -0.27 0.29 0.78 0.00 0.00 0.00 179.25 180.05 1a0u h GLY 22 N 0.39 0.69 1.02 0.00 0.00 -1.84 0.49 103.07 103.83 1a0u h GLY 22 Ca 0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1a0u h GLY 22 CO -0.46 0.17 0.21 0.83 0.00 0.00 0.00 176.54 177.29 1a0u h GLU 23 N 0.57 0.99 -0.26 4.80 5.08 -1.57 -0.03 114.58 124.16 1a0u h GLU 23 Ca 0.20 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1a0u h GLU 23 Cb 0.04 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1a0u h GLU 23 CO -0.10 0.86 -0.52 1.88 -1.00 0.00 0.00 179.01 180.13 1a0u h TYR 24 N 0.92 0.94 0.49 4.33 0.05 -0.63 -0.03 116.97 123.05 1a0u h TYR 24 Ca 0.21 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1a0u h TYR 24 Cb 0.28 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 1a0u h TYR 24 CO 0.02 1.12 -0.42 0.78 -1.05 0.00 0.00 178.16 178.61 1a0u h GLY 25 N 0.85 -1.04 0.37 3.88 0.00 0.27 -0.34 103.07 107.06 1a0u h GLY 25 Ca 0.02 0.48 0.11 0.00 0.00 0.00 0.00 47.33 47.94 1a0u h GLY 25 CO 0.11 -0.35 0.37 0.00 0.00 0.00 0.00 176.54 176.67 1a0u h ALA 26 N -0.60 1.06 -0.58 3.60 0.00 -0.95 -2.26 119.26 119.54 1a0u h ALA 26 Ca -0.05 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1a0u h ALA 26 Cb 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1a0u h ALA 26 CO -0.02 -0.08 0.04 1.49 0.00 0.00 0.00 179.25 180.69 1a0u h GLU 27 N 0.59 0.97 -0.48 0.00 4.81 -0.59 -1.87 114.58 118.01 1a0u h GLU 27 Ca 0.39 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1a0u h GLU 27 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1a0u h GLU 27 CO -0.31 0.93 0.02 0.00 -0.73 0.00 0.00 179.01 178.92 1a0u h ALA 28 N 1.14 1.14 -0.10 2.92 0.00 -0.54 -0.74 119.26 123.08 1a0u h ALA 28 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1a0u h ALA 28 Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a0u h ALA 28 CO 0.02 0.56 -0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1a0u h LEU 29 N 0.73 0.18 -0.80 0.00 3.38 -1.16 -0.41 115.31 117.23 1a0u h LEU 29 Ca 0.15 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1a0u h LEU 29 Cb 0.41 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1a0u h LEU 29 CO 0.01 0.45 0.47 -0.08 0.09 0.00 0.00 178.44 179.39 1a0u h GLU 30 N -0.09 0.82 -0.33 1.13 4.81 -1.15 0.13 114.58 119.90 1a0u h GLU 30 Ca 0.03 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1a0u h GLU 30 Cb 0.36 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1a0u h GLU 30 CO 0.01 0.54 -0.16 0.00 -0.73 0.00 0.00 179.01 178.67 1a0u h ARG 31 N 0.84 0.59 -0.40 1.92 3.08 -0.97 -2.75 114.38 116.69 1a0u h ARG 31 Ca 0.36 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1a0u h ARG 31 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1a0u h ARG 31 CO -0.20 0.73 -0.01 1.98 -1.07 0.00 0.00 179.97 181.40 1a0u h MET 32 N 0.53 0.71 -0.90 0.04 4.05 0.86 -1.01 114.93 119.21 1a0u h MET 32 Ca 0.09 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1a0u h MET 32 Cb 0.58 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1a0u h MET 32 CO 0.04 0.81 0.51 0.74 0.23 0.00 0.00 176.91 179.23 1a0u h PHE 33 N 0.54 1.23 0.05 1.39 0.04 -0.71 0.21 116.94 119.69 1a0u h PHE 33 Ca 0.11 -0.02 -0.24 0.00 2.80 0.00 0.00 57.97 60.61 1a0u h PHE 33 Cb 0.49 -0.40 0.02 0.00 2.20 0.00 0.00 35.95 38.27 1a0u h PHE 33 CO 0.04 0.84 -0.98 -0.07 -0.60 0.00 0.00 178.31 177.54 1a0u h LEU 34 N 1.26 0.77 0.13 1.54 3.38 -1.48 -3.17 115.31 117.74 1a0u h LEU 34 Ca 0.32 -0.79 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 1a0u h LEU 34 Cb 0.01 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.52 1a0u h LEU 34 CO -0.05 1.47 -1.25 0.28 0.09 0.00 0.00 178.44 178.98 1a0u h SER 35 N 0.16 0.44 -2.64 -0.43 0.02 -1.08 -3.40 113.55 106.63 1a0u h SER 35 Ca -0.14 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.74 1a0u h SER 35 Cb 1.67 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.67 1a0u h SER 35 CO 0.19 1.37 -0.82 -0.36 -1.14 0.00 0.00 176.83 176.06 1a0u s PHE 36 N -2.66 2.04 0.66 3.45 0.08 0.72 -4.98 117.98 117.28 1a0u s PHE 36 Ca -0.04 -2.72 0.42 0.00 0.12 0.00 0.00 56.93 54.71 1a0u s PHE 36 Cb 0.07 -1.60 2.31 0.00 -0.57 0.00 0.00 43.02 43.22 1a0u s PHE 36 CO 0.89 -0.72 2.33 -1.00 -0.10 0.00 0.00 175.22 176.62 1a0u h PRO 37 N 5.54 0.00 0.00 0.24 0.13 -1.71 -1.44 132.00 134.75 1a0u h PRO 37 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1a0u h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1a0u h PRO 37 CO 0.50 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.02 1a0u h THR 38 N 0.00 0.27 0.00 1.56 1.35 -1.91 -1.87 112.91 112.31 1a0u h THR 38 Ca 0.00 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1a0u h THR 38 Cb 0.04 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1a0u h THR 38 CO -0.00 0.05 -0.01 0.71 -0.25 0.00 0.00 175.52 176.01 1a0u h THR 39 N 0.00 0.03 0.00 6.82 1.35 -1.58 -2.70 112.91 116.83 1a0u h THR 39 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1a0u h THR 39 Cb 0.23 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1a0u h THR 39 CO 0.01 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.40 1a0u h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.52 -2.93 116.57 118.41 1a0u h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a0u h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1a0u h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1a0u h THR 41 N 0.00 0.00 -0.02 -0.16 1.35 -1.67 -0.50 112.91 111.91 1a0u h THR 41 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1a0u h THR 41 Cb 0.33 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1a0u h THR 41 CO 0.00 0.00 -0.10 -1.22 -0.25 0.00 0.00 175.52 173.95 1a0u n TYR 42 N -3.01 0.00 -2.54 4.73 4.01 -1.11 -4.32 117.16 114.92 1a0u n TYR 42 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 1a0u n TYR 42 Cb 0.07 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1a0u n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a0u n PHE 43 N 0.28 2.03 0.28 -0.72 3.01 -0.20 -4.87 117.46 117.26 1a0u n PHE 43 Ca 0.16 -2.61 0.13 0.00 1.01 0.00 0.00 57.45 56.13 1a0u n PHE 43 Cb 0.42 -0.26 0.79 0.00 -0.01 0.00 0.00 39.48 40.42 1a0u n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a0u h PRO 44 N 2.65 0.00 -0.19 -1.08 0.13 -1.75 -1.58 132.00 130.18 1a0u h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1a0u h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1a0u h PRO 44 CO 0.56 0.06 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1a0u n HIS 45 N -3.91 0.24 -4.08 1.56 1.44 -1.26 -4.88 115.22 104.34 1a0u n HIS 45 Ca -0.03 -0.12 -0.22 0.00 -2.01 0.00 0.00 57.72 55.34 1a0u n HIS 45 Cb 0.15 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.21 1a0u n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a0u s PHE 46 N -1.76 3.02 -0.42 -1.40 0.40 -0.60 -5.07 117.98 112.15 1a0u s PHE 46 Ca 0.28 -0.16 -0.18 0.00 -0.60 0.00 0.00 56.93 56.28 1a0u s PHE 46 Cb 0.15 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1a0u s PHE 46 CO 0.22 0.46 0.45 0.34 0.70 0.00 0.00 175.22 177.40 1a0u s ASP 47 N -3.85 6.20 -0.05 1.36 2.15 -1.26 -4.95 116.67 116.28 1a0u s ASP 47 Ca 0.34 -0.67 0.15 0.00 0.43 0.00 0.00 52.55 52.80 1a0u s ASP 47 Cb -0.07 -2.23 0.51 0.00 -0.30 0.00 0.00 42.92 40.82 1a0u s ASP 47 CO 0.25 -0.60 1.40 0.18 -0.17 0.00 0.00 175.17 176.22 1a0u n LEU 48 N 5.65 3.30 -4.76 -1.34 4.77 -1.26 -4.43 117.00 118.93 1a0u n LEU 48 Ca -0.07 -1.66 -0.33 0.00 -0.03 0.00 0.00 56.01 53.92 1a0u n LEU 48 Cb 0.47 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1a0u n LEU 48 CO 0.47 0.66 0.75 -0.94 -1.33 0.00 0.00 177.39 177.00 1a0u s SER 49 N -0.88 4.89 0.15 -1.43 1.04 -1.26 -4.92 113.70 111.29 1a0u s SER 49 Ca 0.37 2.05 -0.31 0.00 0.48 0.00 0.00 55.95 58.54 1a0u s SER 49 Cb 0.22 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.68 1a0u s SER 49 CO 0.21 -1.78 1.75 -2.28 0.98 0.00 0.00 173.24 172.13 1a0u s HIS 50 N -2.31 2.50 -0.42 5.02 2.46 -1.26 -2.06 115.29 119.22 1a0u s HIS 50 Ca 0.68 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.40 1a0u s HIS 50 Cb -0.22 -4.12 0.00 0.00 -0.13 0.00 0.00 32.58 28.11 1a0u s HIS 50 CO 0.43 -4.46 0.00 0.41 -2.47 0.00 0.00 174.74 168.65 1a0u n GLY 51 N 4.09 0.57 3.77 1.59 0.00 -1.26 -5.02 105.19 108.92 1a0u n GLY 51 Ca 0.17 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1a0u n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a0u s SER 52 N -2.92 6.62 0.45 1.61 1.04 -0.88 -4.91 113.70 114.73 1a0u s SER 52 Ca 0.00 2.49 0.22 0.00 0.48 0.00 0.00 55.95 59.14 1a0u s SER 52 Cb 0.00 -2.63 1.08 0.00 0.10 0.00 0.00 66.02 64.57 1a0u s SER 52 CO 0.00 -0.62 1.93 0.00 0.98 0.00 0.00 173.24 175.53 1a0u h ALA 53 N 2.96 1.23 -0.25 5.32 0.00 -1.91 -0.59 119.26 126.01 1a0u h ALA 53 Ca -0.49 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 1a0u h ALA 53 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1a0u h ALA 53 CO 0.64 0.29 -0.10 1.96 0.00 0.00 0.00 179.25 182.03 1a0u h GLN 54 N 0.00 0.51 -0.35 0.00 4.20 -1.91 0.12 115.11 117.69 1a0u h GLN 54 Ca -0.00 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1a0u h GLN 54 Cb 0.55 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1a0u h GLN 54 CO 0.03 0.76 -0.03 0.28 -0.67 0.00 0.00 178.83 179.20 1a0u h VAL 55 N 0.24 1.27 0.20 -0.54 2.07 -1.67 -1.49 116.25 116.33 1a0u h VAL 55 Ca 0.06 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1a0u h VAL 55 Cb 0.59 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1a0u h VAL 55 CO 0.03 0.34 -0.18 0.11 0.02 0.00 0.00 177.57 177.89 1a0u h LYS 56 N 0.43 -0.39 -0.82 1.57 1.57 -1.02 0.50 116.57 118.41 1a0u h LYS 56 Ca 0.09 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1a0u h LYS 56 Cb 0.50 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1a0u h LYS 56 CO 0.02 -0.26 0.49 0.78 -0.57 0.00 0.00 179.45 179.92 1a0u h GLY 57 N -0.41 1.23 1.42 3.86 0.00 -0.72 -1.48 103.07 106.97 1a0u h GLY 57 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1a0u h GLY 57 CO -0.03 0.23 -0.20 0.84 0.00 0.00 0.00 176.54 177.37 1a0u h HIS 58 N 0.90 0.75 -0.77 5.60 -0.00 -0.95 -2.03 115.15 118.65 1a0u h HIS 58 Ca 0.36 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1a0u h HIS 58 Cb 0.19 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1a0u h HIS 58 CO -0.04 0.82 0.47 0.78 -0.00 0.00 0.00 177.93 179.95 1a0u h GLY 59 N 0.99 1.12 0.99 5.26 0.00 -0.06 -0.31 103.07 111.06 1a0u h GLY 59 Ca 0.09 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1a0u h GLY 59 CO 0.05 0.45 -0.10 1.70 0.00 0.00 0.00 176.54 178.65 1a0u h LYS 60 N 1.06 -0.26 -0.49 4.80 3.64 -0.87 -0.64 116.57 123.82 1a0u h LYS 60 Ca 0.28 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 1a0u h LYS 60 Cb -0.04 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1a0u h LYS 60 CO -0.05 -0.16 -0.03 0.87 -2.27 0.00 0.00 179.45 177.80 1a0u h LYS 61 N -0.28 0.08 -0.31 1.90 1.57 -0.86 0.40 116.57 119.07 1a0u h LYS 61 Ca -0.03 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1a0u h LYS 61 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1a0u h LYS 61 CO 0.04 0.05 -0.02 0.28 -0.57 0.00 0.00 179.45 179.24 1a0u h VAL 62 N 0.08 1.26 -0.14 0.50 2.07 -0.89 -2.52 116.25 116.61 1a0u h VAL 62 Ca 0.24 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1a0u h VAL 62 Cb 0.37 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1a0u h VAL 62 CO -0.43 0.32 -0.02 0.00 0.02 0.00 0.00 177.57 177.46 1a0u h ALA 63 N 0.83 0.10 -0.78 1.67 0.00 -0.58 -1.70 119.26 118.81 1a0u h ALA 63 Ca 0.09 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.18 1a0u h ALA 63 Cb 0.47 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1a0u h ALA 63 CO 0.02 -0.47 0.35 -0.44 0.00 0.00 0.00 179.25 178.71 1a0u h ASP 64 N 0.02 0.38 -0.14 0.00 5.19 -0.86 0.22 116.42 121.22 1a0u h ASP 64 Ca 0.07 0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.49 1a0u h ASP 64 Cb 0.09 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1a0u h ASP 64 CO -0.13 0.16 -0.16 0.00 -3.12 0.00 0.00 179.24 175.99 1a0u h ALA 65 N 1.53 1.16 -0.42 3.45 0.00 -0.99 -1.32 119.26 122.67 1a0u h ALA 65 Ca 0.42 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1a0u h ALA 65 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a0u h ALA 65 CO -0.37 0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 179.32 1a0u h LEU 66 N 0.49 0.74 0.02 0.00 3.38 -0.13 -1.26 115.31 118.54 1a0u h LEU 66 Ca 0.08 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1a0u h LEU 66 Cb 0.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1a0u h LEU 66 CO 0.04 0.88 -0.22 0.74 0.09 0.00 0.00 178.44 179.97 1a0u h THR 67 N 0.59 0.50 -0.41 0.22 2.02 -0.83 0.30 112.91 115.30 1a0u h THR 67 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1a0u h THR 67 Cb 0.51 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1a0u h THR 67 CO 0.03 0.00 0.27 -1.13 0.37 0.00 0.00 175.52 175.06 1a0u h ASN 68 N -0.36 0.47 0.02 4.18 -1.24 -1.10 -1.02 115.58 116.52 1a0u h ASN 68 Ca 0.05 -0.01 -0.18 0.00 0.71 0.00 0.00 56.30 56.87 1a0u h ASN 68 Cb 0.42 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1a0u h ASN 68 CO -0.18 0.34 -0.65 0.00 -1.29 0.00 0.00 177.43 175.64 1a0u h ALA 69 N 1.75 0.56 -0.26 1.57 0.00 -0.30 -1.98 119.26 120.60 1a0u h ALA 69 Ca 0.15 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1a0u h ALA 69 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a0u h ALA 69 CO -0.03 0.71 0.04 0.28 0.00 0.00 0.00 179.25 180.24 1a0u h VAL 70 N 0.44 1.23 -0.91 0.00 2.07 -0.35 0.29 116.25 119.02 1a0u h VAL 70 Ca -0.02 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 66.78 1a0u h VAL 70 Cb 1.23 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 1a0u h VAL 70 CO 0.12 0.25 0.59 0.00 0.02 0.00 0.00 177.57 178.56 1a0u h ALA 71 N 0.85 1.52 -0.90 1.67 0.00 -1.21 -2.57 119.26 118.63 1a0u h ALA 71 Ca 0.08 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.37 1a0u h ALA 71 Cb 0.34 -0.26 -0.39 0.00 0.00 0.00 0.00 17.79 17.48 1a0u h ALA 71 CO 0.01 0.33 -0.34 0.72 0.00 0.00 0.00 179.25 179.97 1a0u n HIS 72 N -4.50 2.94 -0.03 0.00 8.25 -0.75 -4.79 115.22 116.35 1a0u n HIS 72 Ca 0.14 -2.51 0.22 0.00 -0.26 0.00 0.00 57.72 55.32 1a0u n HIS 72 Cb 0.22 -0.61 0.71 0.00 1.12 0.00 0.00 29.99 31.43 1a0u n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a0u h VAL 73 N 1.94 0.62 0.00 1.59 3.04 -0.51 0.18 116.25 123.11 1a0u h VAL 73 Ca 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 1a0u h VAL 73 Cb 1.25 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1a0u h VAL 73 CO 0.99 0.00 -0.24 0.44 -1.01 0.00 0.00 177.57 177.75 1a0u h ASP 74 N 0.00 0.00 -0.40 3.17 3.32 -1.86 -3.37 116.42 117.28 1a0u h ASP 74 Ca 0.28 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.05 1a0u h ASP 74 Cb 1.20 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.37 1a0u h ASP 74 CO -0.00 0.00 -0.99 -0.67 -1.72 0.00 0.00 179.24 175.86 1a0u n ASP 75 N -2.98 2.29 -0.15 6.45 2.03 0.54 -4.96 116.55 119.78 1a0u n ASP 75 Ca 0.03 -2.57 -0.06 0.00 0.52 0.00 0.00 54.79 52.72 1a0u n ASP 75 Cb 0.53 -0.42 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1a0u n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a0u h MET 76 N 2.13 -0.16 -0.99 -0.67 2.86 -1.46 0.30 114.93 116.94 1a0u h MET 76 Ca -0.02 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.87 1a0u h MET 76 Cb 1.42 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.99 1a0u h MET 76 CO 0.29 -0.11 0.56 -1.35 1.06 0.00 0.00 176.91 177.37 1a0u h PRO 77 N -0.17 0.53 0.17 -0.22 0.11 -1.93 0.39 132.00 130.89 1a0u h PRO 77 Ca 0.21 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.98 1a0u h PRO 77 Cb 0.50 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1a0u h PRO 77 CO -0.56 0.35 -1.47 -0.91 -0.21 0.00 0.00 178.00 175.20 1a0u h ASN 78 N 0.55 0.58 0.06 -2.05 4.21 -1.63 -2.68 115.58 114.62 1a0u h ASN 78 Ca 0.64 -0.91 -0.03 0.00 1.21 0.00 0.00 56.30 57.21 1a0u h ASN 78 Cb 1.21 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1a0u h ASN 78 CO -0.49 1.67 -0.09 0.00 -1.29 0.00 0.00 177.43 177.23 1a0u h ALA 79 N 0.07 1.75 -0.33 -0.83 0.00 0.10 -3.02 119.26 116.99 1a0u h ALA 79 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a0u h ALA 79 Cb 1.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1a0u h ALA 79 CO 0.16 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.88 1a0u n LEU 80 N -4.38 4.03 -0.15 0.00 4.77 0.12 -4.75 117.00 116.64 1a0u n LEU 80 Ca -0.02 -2.83 -0.04 0.00 -0.03 0.00 0.00 56.01 53.10 1a0u n LEU 80 Cb 0.19 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1a0u n LEU 80 CO 0.36 0.69 0.76 0.77 -1.33 0.00 0.00 177.39 178.64 1a0u h SER 81 N 2.24 -0.49 -0.60 -1.43 4.64 -1.34 -0.62 113.55 115.96 1a0u h SER 81 Ca 0.00 0.15 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 1a0u h SER 81 Cb 1.41 0.31 -0.04 0.00 -0.31 0.00 0.00 62.40 63.76 1a0u h SER 81 CO 0.22 -0.17 0.34 0.00 -0.87 0.00 0.00 176.83 176.36 1a0u h ALA 82 N 1.42 0.78 -0.31 5.18 0.00 -1.86 -1.68 119.26 122.79 1a0u h ALA 82 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1a0u h ALA 82 Cb 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a0u h ALA 82 CO -0.49 0.05 -0.28 -0.07 0.00 0.00 0.00 179.25 178.45 1a0u h LEU 83 N 0.66 0.66 -1.06 0.00 4.07 -1.76 -0.19 115.31 117.69 1a0u h LEU 83 Ca 0.25 -0.25 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 1a0u h LEU 83 Cb 0.09 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1a0u h LEU 83 CO -0.13 0.91 -0.30 0.28 -1.08 0.00 0.00 178.44 178.13 1a0u h SER 84 N 0.56 0.30 0.65 -0.43 0.02 -0.61 -1.85 113.55 112.18 1a0u h SER 84 Ca 0.07 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1a0u h SER 84 Cb 0.77 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.23 1a0u h SER 84 CO 0.06 0.59 -0.31 0.44 -1.14 0.00 0.00 176.83 176.47 1a0u h ASP 85 N 0.26 -0.74 -0.66 3.07 3.32 -1.06 -1.56 116.42 119.06 1a0u h ASP 85 Ca 0.04 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.21 1a0u h ASP 85 Cb 0.66 0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.29 1a0u h ASP 85 CO 0.05 -0.44 -0.41 0.25 -1.72 0.00 0.00 179.24 176.97 1a0u h LEU 86 N -1.05 -1.42 -0.49 1.55 5.85 -0.92 0.13 115.31 118.95 1a0u h LEU 86 Ca -0.09 0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1a0u h LEU 86 Cb 0.67 0.67 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1a0u h LEU 86 CO 0.15 -0.32 0.13 0.45 -0.34 0.00 0.00 178.44 178.51 1a0u h HIS 87 N -0.17 0.81 -0.26 1.25 3.86 -1.42 0.39 115.15 119.62 1a0u h HIS 87 Ca 0.22 -0.09 -0.18 0.00 -1.16 0.00 0.00 60.37 59.15 1a0u h HIS 87 Cb 0.56 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1a0u h HIS 87 CO -0.73 0.72 -0.55 0.00 0.86 0.00 0.00 177.93 178.24 1a0u h ALA 88 N 0.99 0.54 0.00 2.45 0.00 -0.44 0.44 119.26 123.24 1a0u h ALA 88 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a0u h ALA 88 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a0u h ALA 88 CO -0.00 0.68 -1.58 0.72 0.00 0.00 0.00 179.25 179.08 1a0u n HIS 89 N -3.99 0.00 0.00 0.00 8.25 0.37 -4.58 115.22 115.27 1a0u n HIS 89 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1a0u n HIS 89 Cb 0.62 -0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.43 1a0u n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1a0u n LYS 90 N -1.95 0.02 0.03 -0.41 4.81 0.03 -4.87 118.16 115.82 1a0u n LYS 90 Ca -0.02 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 1a0u n LYS 90 Cb 0.37 -0.24 -0.07 0.00 0.02 0.00 0.00 35.03 35.12 1a0u n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1a0u h LEU 91 N -0.04 0.01 -1.30 3.14 3.38 -1.39 -3.47 115.31 115.65 1a0u h LEU 91 Ca 0.00 -0.01 -0.45 0.00 0.09 0.00 0.00 57.88 57.50 1a0u h LEU 91 Cb 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1a0u h LEU 91 CO 0.00 0.02 -0.79 0.54 0.09 0.00 0.00 178.44 178.30 1a0u n ARG 92 N -5.08 -5.28 -2.14 1.13 1.74 0.16 -4.94 116.66 102.25 1a0u n ARG 92 Ca -0.07 0.60 -0.41 0.00 -0.77 0.00 0.00 57.85 57.20 1a0u n ARG 92 Cb 0.03 -5.35 -0.03 0.00 -1.02 0.00 0.00 32.46 26.10 1a0u n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a0u s VAL 93 N -3.46 2.94 0.26 1.55 1.01 -1.26 -4.95 120.40 116.50 1a0u s VAL 93 Ca 0.40 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1a0u s VAL 93 Cb -0.20 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1a0u s VAL 93 CO 0.82 0.14 1.49 -0.62 0.00 0.00 0.00 175.10 176.94 1a0u s ASP 94 N 0.17 6.56 0.51 3.32 -1.08 -1.26 -4.87 116.67 120.03 1a0u s ASP 94 Ca 0.56 2.75 0.33 0.00 -0.52 0.00 0.00 52.55 55.67 1a0u s ASP 94 Cb -0.39 -2.63 1.46 0.00 -1.46 0.00 0.00 42.92 39.91 1a0u s ASP 94 CO 0.42 -0.77 1.80 -0.65 0.52 0.00 0.00 175.17 176.50 1a0u h PRO 95 N 5.07 0.07 -0.20 4.34 0.11 -2.00 -1.61 132.00 137.79 1a0u h PRO 95 Ca -0.46 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1a0u h PRO 95 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1a0u h PRO 95 CO 0.79 0.05 0.13 0.28 -0.21 0.00 0.00 178.00 179.04 1a0u h VAL 96 N 0.08 0.98 0.00 3.15 2.07 -2.04 -2.13 116.25 118.37 1a0u h VAL 96 Ca 0.56 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 68.01 1a0u h VAL 96 Cb 2.08 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1a0u h VAL 96 CO -0.07 0.03 -0.09 0.78 0.02 0.00 0.00 177.57 178.24 1a0u h ASN 97 N 0.15 0.00 -0.05 0.57 4.21 -1.66 -2.97 115.58 115.84 1a0u h ASN 97 Ca 0.08 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.50 1a0u h ASN 97 Cb 0.14 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1a0u h ASN 97 CO -0.01 0.09 -0.24 -0.26 -1.29 0.00 0.00 177.43 175.71 1a0u h PHE 98 N 0.00 0.52 -0.08 1.19 -1.00 -1.56 -2.61 116.94 113.40 1a0u h PHE 98 Ca -0.00 -0.11 -0.07 0.00 2.81 0.00 0.00 57.97 60.60 1a0u h PHE 98 Cb 0.45 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1a0u h PHE 98 CO 0.00 0.67 -0.29 0.87 -1.61 0.00 0.00 178.31 177.95 1a0u h LYS 99 N 0.41 0.15 -0.10 1.51 1.57 -1.69 -1.22 116.57 117.21 1a0u h LYS 99 Ca 0.06 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1a0u h LYS 99 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1a0u h LYS 99 CO 0.05 0.43 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.10 1a0u h LEU 100 N 0.13 0.33 -0.56 2.94 3.38 -1.58 -1.86 115.31 118.11 1a0u h LEU 100 Ca 0.02 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 57.38 1a0u h LEU 100 Cb 0.59 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1a0u h LEU 100 CO 0.04 0.83 0.15 0.25 0.09 0.00 0.00 178.44 179.80 1a0u h LEU 101 N -0.15 0.83 0.09 1.67 6.46 -1.41 -2.43 115.31 120.36 1a0u h LEU 101 Ca 0.00 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1a0u h LEU 101 Cb 0.77 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1a0u h LEU 101 CO 0.04 0.84 -0.16 0.28 -0.62 0.00 0.00 178.44 178.83 1a0u h SER 102 N 0.78 -0.43 -0.55 1.25 0.02 -1.21 -1.27 113.55 112.14 1a0u h SER 102 Ca 0.18 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1a0u h SER 102 Cb 0.33 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1a0u h SER 102 CO -0.00 -0.23 0.16 -0.74 -1.14 0.00 0.00 176.83 174.89 1a0u h HIS 103 N -0.31 0.28 0.00 3.45 -0.00 -1.29 -1.13 115.15 116.15 1a0u h HIS 103 Ca 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1a0u h HIS 103 Cb 0.32 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1a0u h HIS 103 CO -0.17 0.04 -0.18 0.00 -0.00 0.00 0.00 177.93 177.63 1a0u h LEU 105 N 0.00 0.90 0.20 0.00 5.85 -0.05 -1.81 115.31 120.40 1a0u h LEU 105 Ca -0.00 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.00 1a0u h LEU 105 Cb 0.41 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1a0u h LEU 105 CO 0.02 1.48 -0.10 -0.07 -0.34 0.00 0.00 178.44 179.43 1a0u h LEU 106 N 0.40 -0.23 -0.64 2.25 3.38 -0.74 -1.23 115.31 118.50 1a0u h LEU 106 Ca -0.10 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 57.90 1a0u h LEU 106 Cb 1.58 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 1a0u h LEU 106 CO 0.19 -0.06 0.18 0.58 0.09 0.00 0.00 178.44 179.41 1a0u h VAL 107 N -0.40 0.65 -0.82 1.22 2.07 -1.21 0.25 116.25 118.01 1a0u h VAL 107 Ca -0.03 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1a0u h VAL 107 Cb 0.30 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1a0u h VAL 107 CO 0.05 0.06 0.43 0.74 0.02 0.00 0.00 177.57 178.87 1a0u h THR 108 N 0.31 1.25 -0.18 2.57 2.02 -1.10 -1.96 112.91 115.82 1a0u h THR 108 Ca 0.34 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1a0u h THR 108 Cb 0.50 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1a0u h THR 108 CO -0.40 0.28 -0.12 -0.07 0.37 0.00 0.00 175.52 175.58 1a0u h LEU 109 N 1.15 0.42 -0.54 2.58 3.38 0.11 -2.68 115.31 119.73 1a0u h LEU 109 Ca 0.29 -0.44 0.10 0.00 0.09 0.00 0.00 57.88 57.92 1a0u h LEU 109 Cb 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1a0u h LEU 109 CO -0.04 0.77 0.07 0.00 0.09 0.00 0.00 178.44 179.33 1a0u h ALA 110 N 0.66 0.59 0.00 1.53 0.00 -0.36 0.44 119.26 122.12 1a0u h ALA 110 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1a0u h ALA 110 Cb 0.63 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a0u h ALA 110 CO 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 179.25 178.78 1a0u h ALA 111 N 1.45 1.25 0.00 0.00 0.00 -1.34 -3.28 119.26 117.34 1a0u h ALA 111 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a0u h ALA 111 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a0u h ALA 111 CO -0.40 0.20 -1.47 0.72 0.00 0.00 0.00 179.25 178.31 1a0u n HIS 112 N -3.65 0.00 -3.09 0.00 -0.00 -0.53 -4.76 115.22 103.19 1a0u n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.45 1a0u n HIS 112 Cb 0.29 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.99 29.98 1a0u n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a0u n LEU 113 N -1.90 3.41 0.00 2.41 4.77 0.15 -4.95 117.00 120.87 1a0u n LEU 113 Ca -0.04 -5.46 -0.10 0.00 -0.03 0.00 0.00 56.01 50.39 1a0u n LEU 113 Cb 0.33 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1a0u n LEU 113 CO 0.20 2.27 0.69 1.55 -1.33 0.00 0.00 177.39 180.78 1a0u h PRO 114 N 3.27 -0.30 -0.51 3.23 0.13 -1.79 0.45 132.00 136.48 1a0u h PRO 114 Ca 0.13 0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1a0u h PRO 114 Cb 0.64 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 1a0u h PRO 114 CO 0.74 -0.20 0.22 0.00 -0.23 0.00 0.00 178.00 178.53 1a0u h ALA 115 N 0.62 1.44 0.00 -0.56 0.00 -1.92 -3.02 119.26 115.82 1a0u h ALA 115 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a0u h ALA 115 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a0u h ALA 115 CO -0.31 0.44 -0.55 0.93 0.00 0.00 0.00 179.25 179.75 1a0u h GLU 116 N 0.72 0.00 -2.51 0.00 3.07 -1.87 -3.39 114.58 110.59 1a0u h GLU 116 Ca 0.18 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.45 1a0u h GLU 116 Cb 0.11 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.94 1a0u h GLU 116 CO -0.02 0.00 2.00 0.34 -1.40 0.00 0.00 179.01 179.93 1a0u n PHE 117 N -2.41 1.96 -1.61 4.33 7.35 0.11 -4.77 117.46 122.43 1a0u n PHE 117 Ca 0.03 -2.53 -0.31 0.00 -0.76 0.00 0.00 57.45 53.88 1a0u n PHE 117 Cb 0.48 -1.89 0.06 0.00 0.35 0.00 0.00 39.48 38.47 1a0u n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a0u s THR 118 N -0.13 3.75 0.27 -2.13 -4.23 -1.26 -4.76 115.64 107.14 1a0u s THR 118 Ca 0.61 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1a0u s THR 118 Cb 0.24 -3.34 0.25 0.00 1.34 0.00 0.00 72.50 70.99 1a0u s THR 118 CO -0.10 -0.74 1.75 -0.65 -0.54 0.00 0.00 174.62 174.34 1a0u h PRO 119 N -0.80 0.56 -0.10 3.99 0.11 -1.99 0.26 132.00 134.03 1a0u h PRO 119 Ca -0.45 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1a0u h PRO 119 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1a0u h PRO 119 CO 0.58 0.37 -0.67 0.00 -0.21 0.00 0.00 178.00 178.08 1a0u h ALA 120 N 1.60 0.67 -0.22 -0.75 0.00 -1.96 -2.22 119.26 116.38 1a0u h ALA 120 Ca 0.49 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1a0u h ALA 120 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a0u h ALA 120 CO -0.40 0.74 -0.57 0.28 0.00 0.00 0.00 179.25 179.30 1a0u h VAL 121 N 0.28 1.30 -0.36 0.00 2.07 -1.53 -2.65 116.25 115.37 1a0u h VAL 121 Ca -0.02 -1.80 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1a0u h VAL 121 Cb 1.22 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1a0u h VAL 121 CO 0.11 0.57 0.21 -0.74 0.02 0.00 0.00 177.57 177.74 1a0u h HIS 122 N 0.52 0.39 -0.17 1.57 6.17 -0.48 -0.70 115.15 122.45 1a0u h HIS 122 Ca 0.00 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.13 1a0u h HIS 122 Cb 1.15 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.93 1a0u h HIS 122 CO 0.06 0.22 -0.01 0.00 0.71 0.00 0.00 177.93 178.92 1a0u h ALA 123 N 1.16 0.14 0.25 5.26 0.00 -1.32 -1.88 119.26 122.86 1a0u h ALA 123 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a0u h ALA 123 Cb 0.01 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a0u h ALA 123 CO -0.07 -0.45 -0.12 0.77 0.00 0.00 0.00 179.25 179.38 1a0u h SER 124 N 0.05 -0.28 -0.85 0.00 0.02 -1.26 -2.17 113.55 109.05 1a0u h SER 124 Ca 0.08 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1a0u h SER 124 Cb 0.10 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 1a0u h SER 124 CO -0.14 -0.15 0.52 -0.07 -1.14 0.00 0.00 176.83 175.85 1a0u h LEU 125 N -0.38 0.80 0.21 5.07 3.38 -1.08 -0.92 115.31 122.39 1a0u h LEU 125 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a0u h LEU 125 Cb 0.29 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a0u h LEU 125 CO 0.06 0.50 -0.10 -0.78 0.09 0.00 0.00 178.44 178.21 1a0u h ASP 126 N 0.93 -0.24 -0.79 -0.43 3.58 -1.24 0.51 116.42 118.74 1a0u h ASP 126 Ca 0.38 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.90 1a0u h ASP 126 Cb 0.21 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.28 1a0u h ASP 126 CO -0.19 -0.17 0.52 0.11 -2.88 0.00 0.00 179.24 176.63 1a0u h LYS 127 N -0.29 0.82 -0.11 0.28 1.57 -1.08 0.22 116.57 117.99 1a0u h LYS 127 Ca -0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1a0u h LYS 127 Cb 0.22 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1a0u h LYS 127 CO 0.05 0.55 -0.01 0.35 -0.57 0.00 0.00 179.45 179.81 1a0u h PHE 128 N 0.85 0.21 -0.36 -1.35 3.57 -0.80 -0.19 116.94 118.87 1a0u h PHE 128 Ca 0.34 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.70 1a0u h PHE 128 Cb 0.24 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1a0u h PHE 128 CO -0.00 0.46 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.28 1a0u h LEU 129 N -0.10 0.67 -0.47 0.59 3.38 -0.45 -0.68 115.31 118.26 1a0u h LEU 129 Ca 0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1a0u h LEU 129 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1a0u h LEU 129 CO 0.01 0.86 0.30 0.00 0.09 0.00 0.00 178.44 179.70 1a0u h ALA 130 N 1.19 0.59 -0.67 1.53 0.00 -0.76 -0.06 119.26 121.09 1a0u h ALA 130 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1a0u h ALA 130 Cb 0.65 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1a0u h ALA 130 CO 0.05 0.06 0.23 0.77 0.00 0.00 0.00 179.25 180.36 1a0u h SER 131 N 0.63 0.95 -0.88 0.00 0.02 -0.59 -0.36 113.55 113.32 1a0u h SER 131 Ca 0.17 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1a0u h SER 131 Cb -0.05 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 1a0u h SER 131 CO -0.03 0.89 0.46 0.58 -1.14 0.00 0.00 176.83 177.58 1a0u h VAL 132 N 0.96 1.26 -0.31 2.27 2.07 -0.79 -1.61 116.25 120.10 1a0u h VAL 132 Ca 0.22 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1a0u h VAL 132 Cb 0.26 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1a0u h VAL 132 CO -0.01 0.30 0.06 0.28 0.02 0.00 0.00 177.57 178.22 1a0u h SER 133 N 1.24 0.49 -0.38 0.57 0.02 -0.50 -1.06 113.55 113.94 1a0u h SER 133 Ca 0.31 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1a0u h SER 133 Cb 0.07 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1a0u h SER 133 CO -0.04 0.61 0.23 0.74 -1.14 0.00 0.00 176.83 177.22 1a0u h THR 134 N 0.35 1.04 -0.13 -2.27 2.02 -0.89 -2.05 112.91 110.98 1a0u h THR 134 Ca 0.10 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1a0u h THR 134 Cb 0.32 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1a0u h THR 134 CO 0.00 0.08 0.07 0.58 0.37 0.00 0.00 175.52 176.63 1a0u h VAL 135 N 0.46 1.08 0.00 3.16 2.07 -1.11 -1.41 116.25 120.50 1a0u h VAL 135 Ca 0.15 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1a0u h VAL 135 Cb 0.00 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1a0u h VAL 135 CO -0.07 0.08 -0.03 -0.07 0.02 0.00 0.00 177.57 177.50 1a0u h LEU 136 N 0.12 0.00 -2.93 2.57 3.38 -0.93 -2.90 115.31 114.62 1a0u h LEU 136 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1a0u h LEU 136 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1a0u h LEU 136 CO -0.01 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1a0u n THR 137 N -3.24 1.01 0.20 0.22 -2.24 -0.80 -4.47 114.28 104.96 1a0u n THR 137 Ca -0.02 -1.01 0.07 0.00 -2.27 0.00 0.00 64.05 60.83 1a0u n THR 137 Cb 0.17 0.50 0.37 0.00 -2.10 0.00 0.00 70.33 69.27 1a0u n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a0u h SER 138 N 1.25 0.00 -0.52 3.42 4.64 -1.04 -3.20 113.55 118.10 1a0u h SER 138 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1a0u h SER 138 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1a0u h SER 138 CO 0.00 0.32 0.02 0.29 -0.87 0.00 0.00 176.83 176.59 1a0u n LYS 139 N -3.49 4.40 -0.12 4.77 5.02 -1.26 -4.60 118.16 122.87 1a0u n LYS 139 Ca -0.00 -3.10 -0.04 0.00 -2.02 0.00 0.00 58.31 53.14 1a0u n LYS 139 Cb 0.48 -2.18 0.15 0.00 -0.02 0.00 0.00 35.03 33.47 1a0u n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a0u h TYR 140 N 3.42 0.88 0.00 2.13 -1.99 -1.87 -3.46 116.97 116.09 1a0u h TYR 140 Ca 0.02 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1a0u h TYR 140 Cb 1.90 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 40.39 1a0u h TYR 140 CO 0.99 0.79 0.00 2.89 -0.00 0.00 0.00 178.16 182.83