#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye0 n LEU 2 N 0.00 2.83 -4.90 7.52 4.77 -1.26 -5.00 117.00 120.97 1ye0 n LEU 2 Ca 0.00 0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 56.36 1ye0 n LEU 2 Cb 0.00 -1.34 0.01 0.00 -2.33 0.00 0.00 43.42 39.77 1ye0 n LEU 2 CO 0.00 -0.43 0.53 -0.94 -1.33 0.00 0.00 177.39 175.22 1ye0 s SER 3 N 5.87 6.06 0.24 -1.43 1.04 -1.26 -4.88 113.70 119.35 1ye0 s SER 3 Ca 1.01 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 58.35 1ye0 s SER 3 Cb -0.74 -2.15 0.42 0.00 0.10 0.00 0.00 66.02 63.65 1ye0 s SER 3 CO 0.50 -0.78 1.64 -0.65 0.98 0.00 0.00 173.24 174.92 1ye0 h PRO 4 N -0.02 0.11 -0.49 4.02 0.11 -1.99 0.44 132.00 134.18 1ye0 h PRO 4 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ye0 h PRO 4 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1ye0 h PRO 4 CO 0.62 0.07 0.25 0.00 -0.21 0.00 0.00 178.00 178.73 1ye0 h ALA 5 N 1.69 1.53 -0.04 -0.75 0.00 -1.98 0.32 119.26 120.03 1ye0 h ALA 5 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1ye0 h ALA 5 Cb 0.71 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ye0 h ALA 5 CO -0.65 0.38 0.02 -0.44 0.00 0.00 0.00 179.25 178.57 1ye0 h ASP 6 N 0.67 0.05 0.36 0.00 3.32 -0.54 0.11 116.42 120.40 1ye0 h ASP 6 Ca 0.17 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1ye0 h ASP 6 Cb 0.04 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ye0 h ASP 6 CO -0.03 0.09 -0.27 0.11 -1.72 0.00 0.00 179.24 177.42 1ye0 h LYS 7 N 0.00 0.00 -0.19 3.56 1.57 -0.04 0.20 116.57 121.68 1ye0 h LYS 7 Ca 0.01 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1ye0 h LYS 7 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ye0 h LYS 7 CO -0.00 0.27 -0.36 1.15 -0.57 0.00 0.00 179.45 179.93 1ye0 h THR 8 N 0.00 1.34 -0.17 -0.16 2.02 -0.63 -2.12 112.91 113.18 1ye0 h THR 8 Ca -0.00 -1.59 -0.16 0.00 0.77 0.00 0.00 66.41 65.43 1ye0 h THR 8 Cb 0.52 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1ye0 h THR 8 CO 0.03 0.49 -0.55 0.78 0.37 0.00 0.00 175.52 176.64 1ye0 h ASN 9 N 0.24 0.58 0.21 4.18 -0.26 -0.25 -2.57 115.58 117.71 1ye0 h ASN 9 Ca 0.01 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.43 1ye0 h ASN 9 Cb 0.96 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 1ye0 h ASN 9 CO 0.08 1.01 -0.10 0.58 -1.06 0.00 0.00 177.43 177.94 1ye0 h VAL 10 N 0.40 0.87 -0.66 2.81 2.07 -0.92 -2.24 116.25 118.58 1ye0 h VAL 10 Ca 0.01 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1ye0 h VAL 10 Cb 1.09 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1ye0 h VAL 10 CO 0.10 0.10 0.34 0.11 0.02 0.00 0.00 177.57 178.24 1ye0 h LYS 11 N -0.51 0.60 0.13 1.57 1.57 -1.35 0.10 116.57 118.68 1ye0 h LYS 11 Ca -0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1ye0 h LYS 11 Cb 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ye0 h LYS 11 CO 0.05 0.40 -0.08 0.00 -0.57 0.00 0.00 179.45 179.24 1ye0 h ALA 12 N 1.37 -0.19 -0.36 3.86 0.00 -1.47 -0.01 119.26 122.46 1ye0 h ALA 12 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ye0 h ALA 12 Cb 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ye0 h ALA 12 CO -0.22 -0.62 -0.06 0.00 0.00 0.00 0.00 179.25 178.35 1ye0 h ALA 13 N 0.66 0.49 -0.83 0.00 0.00 -0.86 -2.49 119.26 116.23 1ye0 h ALA 13 Ca -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ye0 h ALA 13 Cb 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1ye0 h ALA 13 CO 0.01 0.32 0.39 2.35 0.00 0.00 0.00 179.25 182.31 1ye0 h TRP 14 N 0.47 1.21 -0.79 0.00 2.91 -0.78 -2.55 115.95 116.43 1ye0 h TRP 14 Ca 0.09 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.11 1ye0 h TRP 14 Cb 0.56 -0.37 -0.05 0.00 -0.51 0.00 0.00 29.16 28.79 1ye0 h TRP 14 CO 0.05 0.89 0.52 0.78 -1.03 0.00 0.00 178.44 179.64 1ye0 h GLY 15 N 1.19 1.09 1.91 2.65 0.00 -0.83 -1.05 103.07 108.03 1ye0 h GLY 15 Ca 0.28 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1ye0 h GLY 15 CO -0.03 0.26 -0.27 0.50 0.00 0.00 0.00 176.54 177.00 1ye0 h LYS 16 N 0.87 0.11 -0.73 4.80 1.79 -1.02 -2.87 116.57 119.52 1ye0 h LYS 16 Ca 0.34 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.73 1ye0 h LYS 16 Cb 0.22 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1ye0 h LYS 16 CO -0.12 0.38 0.30 0.28 -1.08 0.00 0.00 179.45 179.21 1ye0 h VAL 17 N 0.10 1.25 0.00 0.50 2.07 -1.03 -3.45 116.25 115.69 1ye0 h VAL 17 Ca 0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ye0 h VAL 17 Cb 0.54 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ye0 h VAL 17 CO 0.04 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1ye0 n GLY 18 N -0.87 1.54 0.18 2.17 0.00 -1.04 -1.23 105.19 105.94 1ye0 n GLY 18 Ca 0.06 0.58 -0.18 0.00 0.00 0.00 0.00 46.02 46.48 1ye0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ye0 h ALA 19 N -0.28 0.21 0.00 4.61 0.00 -1.89 -3.26 119.26 118.64 1ye0 h ALA 19 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ye0 h ALA 19 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ye0 h ALA 19 CO 0.00 0.73 0.00 0.72 0.00 0.00 0.00 179.25 180.70 1ye0 n HIS 20 N -3.81 0.00 -0.32 0.00 -0.00 -0.37 -3.71 115.22 107.00 1ye0 n HIS 20 Ca -0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.59 1ye0 n HIS 20 Cb 0.87 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.94 1ye0 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ye0 h ALA 21 N 2.68 1.11 -0.40 -1.41 0.00 -1.60 -0.79 119.26 118.84 1ye0 h ALA 21 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ye0 h ALA 21 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1ye0 h ALA 21 CO 0.00 0.53 0.24 0.78 0.00 0.00 0.00 179.25 180.79 1ye0 h GLY 22 N 1.19 0.56 2.00 0.00 0.00 -1.86 0.57 103.07 105.53 1ye0 h GLY 22 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1ye0 h GLY 22 CO -0.07 0.16 -0.05 1.05 0.00 0.00 0.00 176.54 177.63 1ye0 h GLU 23 N 0.48 0.00 0.11 4.80 4.11 -1.68 -2.88 114.58 119.53 1ye0 h GLU 23 Ca 0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.32 1ye0 h GLU 23 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ye0 h GLU 23 CO -0.07 0.05 -1.21 1.88 0.07 0.00 0.00 179.01 179.74 1ye0 h TYR 24 N 0.00 0.50 -0.91 2.06 0.99 0.08 -1.04 116.97 118.65 1ye0 h TYR 24 Ca -0.00 -0.35 0.07 0.00 2.00 0.00 0.00 58.73 60.45 1ye0 h TYR 24 Cb 0.47 -0.02 -0.07 0.00 1.00 0.00 0.00 36.73 38.11 1ye0 h TYR 24 CO 0.00 1.26 0.57 0.78 -0.00 0.00 0.00 178.16 180.77 1ye0 h GLY 25 N 1.57 1.39 0.27 3.88 0.00 -0.73 0.36 103.07 109.81 1ye0 h GLY 25 Ca -0.13 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1ye0 h GLY 25 CO 0.20 0.26 -0.25 0.00 0.00 0.00 0.00 176.54 176.75 1ye0 h ALA 26 N 1.44 -0.02 -0.98 3.60 0.00 -1.45 -1.32 119.26 120.54 1ye0 h ALA 26 Ca 0.40 -0.53 0.18 0.00 0.00 0.00 0.00 54.91 54.96 1ye0 h ALA 26 Cb 0.22 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 1ye0 h ALA 26 CO -0.19 0.10 0.58 1.49 0.00 0.00 0.00 179.25 181.23 1ye0 h GLU 27 N -0.73 0.74 0.17 0.00 4.81 -1.02 -0.47 114.58 118.08 1ye0 h GLU 27 Ca -0.04 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1ye0 h GLU 27 Cb 1.14 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1ye0 h GLU 27 CO 0.05 0.49 -0.24 0.00 -0.73 0.00 0.00 179.01 178.57 1ye0 h ALA 28 N 1.62 -0.45 -0.83 2.92 0.00 0.07 0.07 119.26 122.67 1ye0 h ALA 28 Ca 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1ye0 h ALA 28 Cb 0.82 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1ye0 h ALA 28 CO -0.37 -0.79 0.40 -0.07 0.00 0.00 0.00 179.25 178.41 1ye0 h LEU 29 N -0.48 1.08 -0.51 0.00 3.38 -0.66 -2.13 115.31 115.99 1ye0 h LEU 29 Ca 0.01 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ye0 h LEU 29 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1ye0 h LEU 29 CO -0.10 0.91 0.33 -0.08 0.09 0.00 0.00 178.44 179.59 1ye0 h GLU 30 N 1.17 0.64 -0.68 1.13 4.81 -0.67 -0.73 114.58 120.26 1ye0 h GLU 30 Ca 0.28 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1ye0 h GLU 30 Cb 0.12 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1ye0 h GLU 30 CO -0.04 0.43 0.42 0.00 -0.73 0.00 0.00 179.01 179.09 1ye0 h ARG 31 N 0.66 0.91 -0.33 1.92 3.08 -0.43 -2.33 114.38 117.86 1ye0 h ARG 31 Ca 0.19 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ye0 h ARG 31 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 1ye0 h ARG 31 CO -0.06 0.63 0.19 1.98 -1.07 0.00 0.00 179.97 181.65 1ye0 h MET 32 N 0.93 0.46 -0.02 0.04 4.05 -0.58 -1.11 114.93 118.70 1ye0 h MET 32 Ca 0.25 -0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.47 1ye0 h MET 32 Cb -0.05 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 1ye0 h MET 32 CO -0.05 0.37 -0.67 0.74 0.23 0.00 0.00 176.91 177.53 1ye0 h PHE 33 N 0.42 0.13 0.02 1.39 0.04 -0.87 -0.87 116.94 117.21 1ye0 h PHE 33 Ca 0.12 -0.06 -0.24 0.00 2.80 0.00 0.00 57.97 60.60 1ye0 h PHE 33 Cb 0.04 -0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.19 1ye0 h PHE 33 CO -0.03 0.74 -0.94 -0.07 -0.60 0.00 0.00 178.31 177.40 1ye0 h LEU 34 N 0.07 0.78 0.00 1.54 3.38 -1.36 -3.31 115.31 116.41 1ye0 h LEU 34 Ca -0.01 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1ye0 h LEU 34 Cb 1.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1ye0 h LEU 34 CO 0.09 1.45 -0.85 0.28 0.09 0.00 0.00 178.44 179.51 1ye0 h SER 35 N 0.20 0.00 -1.98 -0.43 0.02 -1.16 -3.40 113.55 106.80 1ye0 h SER 35 Ca -0.12 -0.14 -0.52 0.00 -0.84 0.00 0.00 61.79 60.16 1ye0 h SER 35 Cb 1.62 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.80 1ye0 h SER 35 CO 0.18 0.07 -0.97 0.49 -1.14 0.00 0.00 176.83 175.47 1ye0 n PHE 36 N -2.35 -1.07 0.22 3.45 3.01 -0.34 -5.01 117.46 115.37 1ye0 n PHE 36 Ca 0.02 -3.17 0.17 0.00 1.01 0.00 0.00 57.45 55.47 1ye0 n PHE 36 Cb 0.49 0.19 0.84 0.00 -0.01 0.00 0.00 39.48 40.98 1ye0 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1ye0 h PRO 37 N 4.84 0.00 -0.13 -1.08 0.11 -1.75 -1.72 132.00 132.27 1ye0 h PRO 37 Ca 0.15 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.30 1ye0 h PRO 37 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1ye0 h PRO 37 CO 0.38 0.00 0.10 1.79 -0.21 0.00 0.00 178.00 180.06 1ye0 h THR 38 N 0.00 0.89 -0.31 -1.15 1.35 -1.91 -2.23 112.91 109.54 1ye0 h THR 38 Ca 0.07 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.02 1ye0 h THR 38 Cb 0.40 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1ye0 h THR 38 CO -0.00 0.00 0.22 0.71 -0.25 0.00 0.00 175.52 176.20 1ye0 h THR 39 N 0.00 0.84 -0.39 6.82 1.35 -1.63 -1.89 112.91 118.01 1ye0 h THR 39 Ca 0.06 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.00 1ye0 h THR 39 Cb 0.26 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 1ye0 h THR 39 CO -0.00 0.00 0.27 0.11 -0.25 0.00 0.00 175.52 175.65 1ye0 h LYS 40 N 0.00 0.15 -0.02 4.72 1.57 -1.61 -2.43 116.57 118.95 1ye0 h LYS 40 Ca 0.15 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1ye0 h LYS 40 Cb 0.59 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1ye0 h LYS 40 CO -0.00 0.10 0.58 1.79 -0.57 0.00 0.00 179.45 181.35 1ye0 h THR 41 N 0.16 0.01 -0.00 -0.16 1.35 -1.53 1.99 112.91 114.73 1ye0 h THR 41 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1ye0 h THR 41 Cb 0.50 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1ye0 h THR 41 CO -0.03 0.00 -0.59 -1.22 -0.25 0.00 0.00 175.52 173.44 1ye0 n TYR 42 N -2.78 0.00 -2.58 4.73 4.01 -0.91 -4.45 117.16 115.18 1ye0 n TYR 42 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1ye0 n TYR 42 Cb 0.62 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1ye0 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ye0 n PHE 43 N -1.37 2.64 0.76 -0.72 3.01 0.67 -4.84 117.46 117.61 1ye0 n PHE 43 Ca 0.06 -3.08 0.13 0.00 1.01 0.00 0.00 57.45 55.57 1ye0 n PHE 43 Cb 0.34 -0.21 0.48 0.00 -0.01 0.00 0.00 39.48 40.08 1ye0 n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1ye0 n PRO 44 N -0.31 0.17 0.01 -1.08 -0.04 -1.23 -2.83 135.00 129.68 1ye0 n PRO 44 Ca 0.29 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1ye0 n PRO 44 Cb 0.70 -1.69 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1ye0 n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ye0 n HIS 45 N -1.98 0.06 -2.62 0.54 1.44 -1.26 -4.92 115.22 106.48 1ye0 n HIS 45 Ca 0.06 0.02 -0.27 0.00 -2.01 0.00 0.00 57.72 55.52 1ye0 n HIS 45 Cb 0.40 -0.19 0.01 0.00 0.12 0.00 0.00 29.99 30.32 1ye0 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ye0 s PHE 46 N -3.05 3.48 -0.19 -1.40 0.40 -1.13 -5.06 117.98 111.02 1ye0 s PHE 46 Ca 0.08 0.74 -0.20 0.00 -0.60 0.00 0.00 56.93 56.95 1ye0 s PHE 46 Cb 0.16 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1ye0 s PHE 46 CO 0.80 -0.39 0.58 0.34 0.70 0.00 0.00 175.22 177.25 1ye0 s ASP 47 N -4.15 6.64 -0.42 1.36 2.15 -1.26 -4.96 116.67 116.02 1ye0 s ASP 47 Ca 0.49 0.78 0.05 0.00 0.43 0.00 0.00 52.55 54.29 1ye0 s ASP 47 Cb -0.10 -2.33 0.53 0.00 -0.30 0.00 0.00 42.92 40.72 1ye0 s ASP 47 CO 0.44 -0.22 1.67 0.18 -0.17 0.00 0.00 175.17 177.07 1ye0 n LEU 48 N 4.87 5.75 -4.84 -1.34 4.77 -1.26 -4.49 117.00 120.46 1ye0 n LEU 48 Ca -0.03 -4.02 -0.35 0.00 -0.03 0.00 0.00 56.01 51.58 1ye0 n LEU 48 Cb 0.50 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1ye0 n LEU 48 CO 0.43 1.40 0.28 -0.94 -1.33 0.00 0.00 177.39 177.22 1ye0 s SER 49 N -2.23 6.86 -0.32 -1.43 1.04 -1.26 -4.94 113.70 111.41 1ye0 s SER 49 Ca 0.54 1.14 -0.43 0.00 0.48 0.00 0.00 55.95 57.68 1ye0 s SER 49 Cb 0.45 -2.31 -0.19 0.00 0.10 0.00 0.00 66.02 64.06 1ye0 s SER 49 CO 0.03 0.07 1.38 1.57 0.98 0.00 0.00 173.24 177.27 1ye0 n HIS 50 N 0.71 1.34 0.00 5.02 -0.00 -1.26 0.13 115.22 121.16 1ye0 n HIS 50 Ca -0.04 1.08 0.00 0.00 0.46 0.00 0.00 57.72 59.22 1ye0 n HIS 50 Cb 0.52 -2.11 0.00 0.00 -0.12 0.00 0.00 29.99 28.28 1ye0 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ye0 n GLY 51 N 3.07 2.23 3.35 1.57 0.00 -1.26 -5.00 105.19 109.15 1ye0 n GLY 51 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.85 1ye0 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ye0 n SER 52 N 0.00 -2.09 0.10 1.61 2.88 0.35 -4.83 113.62 111.64 1ye0 n SER 52 Ca 0.00 0.93 0.12 0.00 -1.33 0.00 0.00 58.87 58.59 1ye0 n SER 52 Cb 0.00 -0.93 0.12 0.00 -0.75 0.00 0.00 64.21 62.65 1ye0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ye0 h ALA 53 N 0.62 0.63 0.01 -1.46 0.00 -1.88 -2.97 119.26 114.20 1ye0 h ALA 53 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 1ye0 h ALA 53 Cb 1.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1ye0 h ALA 53 CO 0.51 0.00 -0.90 0.37 0.00 0.00 0.00 179.25 179.23 1ye0 h GLN 54 N 0.00 0.10 -0.06 0.00 4.15 -1.88 -2.44 115.11 114.99 1ye0 h GLN 54 Ca 0.00 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.08 1ye0 h GLN 54 Cb 0.87 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1ye0 h GLN 54 CO 0.00 0.93 -0.83 0.28 -1.93 0.00 0.00 178.83 177.28 1ye0 h VAL 55 N 0.05 1.36 -0.30 2.39 2.07 -1.78 -2.03 116.25 118.01 1ye0 h VAL 55 Ca -0.03 -2.22 -0.17 0.00 0.82 0.00 0.00 66.70 65.10 1ye0 h VAL 55 Cb 1.56 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1ye0 h VAL 55 CO 0.13 0.67 -0.48 0.11 0.02 0.00 0.00 177.57 178.03 1ye0 h LYS 56 N 0.31 0.81 -0.43 1.57 1.79 -1.54 -0.30 116.57 118.78 1ye0 h LYS 56 Ca -0.06 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 57.93 1ye0 h LYS 56 Cb 1.44 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.11 1ye0 h LYS 56 CO 0.15 1.11 0.21 0.78 -1.08 0.00 0.00 179.45 180.61 1ye0 h GLY 57 N 0.83 0.65 1.28 3.86 0.00 -1.43 -1.67 103.07 106.60 1ye0 h GLY 57 Ca 0.03 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1ye0 h GLY 57 CO 0.11 0.30 -0.29 0.84 0.00 0.00 0.00 176.54 177.50 1ye0 h HIS 58 N 0.55 0.94 -0.88 5.60 -0.00 -1.36 -2.66 115.15 117.33 1ye0 h HIS 58 Ca 0.15 -0.24 0.12 0.00 -0.00 0.00 0.00 60.37 60.39 1ye0 h HIS 58 Cb 0.11 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.22 1ye0 h HIS 58 CO -0.01 1.00 0.50 0.78 -0.00 0.00 0.00 177.93 180.20 1ye0 h GLY 59 N 0.93 1.40 1.22 5.26 0.00 -0.30 0.46 103.07 112.06 1ye0 h GLY 59 Ca 0.08 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1ye0 h GLY 59 CO 0.07 0.09 -0.52 1.70 0.00 0.00 0.00 176.54 177.88 1ye0 h LYS 60 N 0.80 0.82 -0.09 4.80 3.64 -1.28 -1.76 116.57 123.49 1ye0 h LYS 60 Ca 0.44 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ye0 h LYS 60 Cb 0.48 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1ye0 h LYS 60 CO -0.28 1.14 -0.07 0.87 -2.27 0.00 0.00 179.45 178.83 1ye0 h LYS 61 N 0.64 0.13 0.00 1.90 1.57 -0.66 -1.66 116.57 118.48 1ye0 h LYS 61 Ca 0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1ye0 h LYS 61 Cb 1.11 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1ye0 h LYS 61 CO 0.11 0.22 -0.38 0.28 -0.57 0.00 0.00 179.45 179.11 1ye0 h VAL 62 N 0.13 1.51 -0.89 0.50 2.07 -0.68 -3.03 116.25 115.86 1ye0 h VAL 62 Ca 0.03 -2.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.54 1ye0 h VAL 62 Cb 0.22 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1ye0 h VAL 62 CO 0.01 0.56 0.54 0.00 0.02 0.00 0.00 177.57 178.70 1ye0 h ALA 63 N 0.27 1.14 -0.08 1.67 0.00 -1.29 -2.05 119.26 118.91 1ye0 h ALA 63 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ye0 h ALA 63 Cb 1.13 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ye0 h ALA 63 CO 0.07 0.59 0.03 -0.44 0.00 0.00 0.00 179.25 179.51 1ye0 h ASP 64 N 1.23 0.09 1.47 0.00 5.19 -1.33 0.40 116.42 123.47 1ye0 h ASP 64 Ca 0.32 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.62 1ye0 h ASP 64 Cb -0.06 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1ye0 h ASP 64 CO -0.06 0.08 -0.54 0.00 -3.12 0.00 0.00 179.24 175.60 1ye0 h ALA 65 N 1.93 0.69 0.02 3.45 0.00 -1.29 -2.60 119.26 121.46 1ye0 h ALA 65 Ca 0.03 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.23 1ye0 h ALA 65 Cb 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ye0 h ALA 65 CO -0.00 0.61 -1.04 -0.07 0.00 0.00 0.00 179.25 178.75 1ye0 h LEU 66 N 0.00 0.75 0.03 0.00 3.38 -0.34 -2.61 115.31 116.52 1ye0 h LEU 66 Ca -0.01 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1ye0 h LEU 66 Cb 1.38 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1ye0 h LEU 66 CO 0.06 1.42 -0.13 0.74 0.09 0.00 0.00 178.44 180.62 1ye0 h THR 67 N 0.31 0.69 0.00 0.22 2.02 -1.03 0.40 112.91 115.52 1ye0 h THR 67 Ca -0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1ye0 h THR 67 Cb 1.69 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1ye0 h THR 67 CO 0.19 0.00 -0.03 -1.13 0.37 0.00 0.00 175.52 174.92 1ye0 h ASN 68 N -0.23 0.00 0.01 4.18 -1.24 -1.54 0.35 115.58 117.10 1ye0 h ASN 68 Ca 0.03 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.82 1ye0 h ASN 68 Cb 0.27 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.33 1ye0 h ASN 68 CO -0.10 0.03 -0.82 0.00 -1.29 0.00 0.00 177.43 175.25 1ye0 h ALA 69 N 1.97 0.36 -0.48 1.57 0.00 -0.57 -2.09 119.26 120.01 1ye0 h ALA 69 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1ye0 h ALA 69 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ye0 h ALA 69 CO 0.00 0.71 0.11 0.28 0.00 0.00 0.00 179.25 180.36 1ye0 h VAL 70 N 0.43 1.24 -0.86 0.00 2.07 -0.35 0.18 116.25 118.97 1ye0 h VAL 70 Ca -0.06 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1ye0 h VAL 70 Cb 1.44 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1ye0 h VAL 70 CO 0.16 0.30 0.56 0.00 0.02 0.00 0.00 177.57 178.61 1ye0 h ALA 71 N 0.98 1.55 -1.45 1.67 0.00 -0.98 -2.23 119.26 118.80 1ye0 h ALA 71 Ca 0.15 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.40 1ye0 h ALA 71 Cb 0.33 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 17.48 1ye0 h ALA 71 CO 0.00 0.32 -0.29 0.72 0.00 0.00 0.00 179.25 180.00 1ye0 n HIS 72 N -4.48 3.35 -0.20 0.00 8.25 -0.57 -4.81 115.22 116.76 1ye0 n HIS 72 Ca 0.13 -2.98 0.30 0.00 -0.26 0.00 0.00 57.72 54.90 1ye0 n HIS 72 Cb 0.20 -0.37 0.73 0.00 1.12 0.00 0.00 29.99 31.66 1ye0 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ye0 h VAL 73 N 2.47 0.49 -0.20 1.59 3.04 -0.36 -0.21 116.25 123.06 1ye0 h VAL 73 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1ye0 h VAL 73 Cb 0.68 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ye0 h VAL 73 CO 0.99 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.02 1ye0 n ASP 74 N -4.18 2.40 -2.53 3.17 8.00 -1.26 -4.31 116.55 117.84 1ye0 n ASP 74 Ca 0.20 -1.82 -0.00 0.00 0.71 0.00 0.00 54.79 53.88 1ye0 n ASP 74 Cb 1.03 -0.12 0.06 0.00 -0.02 0.00 0.00 41.12 42.06 1ye0 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ye0 n ASP 75 N 0.82 0.65 -0.21 -2.24 2.03 -0.11 -4.99 116.55 112.50 1ye0 n ASP 75 Ca 0.17 -2.06 0.01 0.00 0.52 0.00 0.00 54.79 53.43 1ye0 n ASP 75 Cb 0.46 -0.14 0.12 0.00 -0.72 0.00 0.00 41.12 40.84 1ye0 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1ye0 h MET 76 N 1.89 0.35 -0.84 -0.67 2.86 -1.69 -0.66 114.93 116.17 1ye0 h MET 76 Ca -0.25 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1ye0 h MET 76 Cb 1.36 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.88 1ye0 h MET 76 CO 0.06 0.23 0.55 -1.35 1.06 0.00 0.00 176.91 177.46 1ye0 h PRO 77 N 0.36 0.58 0.00 -0.22 0.11 -1.94 0.02 132.00 130.92 1ye0 h PRO 77 Ca 0.33 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 1ye0 h PRO 77 Cb 0.44 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 1ye0 h PRO 77 CO -0.35 0.38 -1.40 -0.91 -0.21 0.00 0.00 178.00 175.51 1ye0 h ASN 78 N 0.60 0.00 0.91 -2.05 2.35 -1.82 -3.29 115.58 112.28 1ye0 h ASN 78 Ca 0.42 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.07 1ye0 h ASN 78 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1ye0 h ASN 78 CO -0.17 0.72 -0.44 0.00 -1.65 0.00 0.00 177.43 175.89 1ye0 h ALA 79 N 1.28 0.93 -0.48 -0.83 0.00 -0.45 -3.18 119.26 116.52 1ye0 h ALA 79 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ye0 h ALA 79 Cb 1.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ye0 h ALA 79 CO 0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1ye0 n LEU 80 N -3.51 3.44 -0.21 0.00 4.77 -0.07 -4.74 117.00 116.68 1ye0 n LEU 80 Ca -0.00 -2.09 0.02 0.00 -0.03 0.00 0.00 56.01 53.90 1ye0 n LEU 80 Cb 0.56 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1ye0 n LEU 80 CO 0.38 0.81 0.93 -1.28 -1.33 0.00 0.00 177.39 176.90 1ye0 h SER 81 N 2.86 0.03 -0.40 -1.43 0.87 -1.61 -1.23 113.55 112.63 1ye0 h SER 81 Ca 0.00 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1ye0 h SER 81 Cb 0.91 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1ye0 h SER 81 CO 0.03 0.01 0.24 0.00 -0.53 0.00 0.00 176.83 176.58 1ye0 h ALA 82 N 1.51 0.51 -0.53 6.23 0.00 -1.86 -1.54 119.26 123.58 1ye0 h ALA 82 Ca 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ye0 h ALA 82 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ye0 h ALA 82 CO -0.42 0.01 0.21 1.25 0.00 0.00 0.00 179.25 180.31 1ye0 h LEU 83 N 0.53 0.69 -1.27 0.00 5.85 -1.74 -0.77 115.31 118.60 1ye0 h LEU 83 Ca 0.14 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1ye0 h LEU 83 Cb 0.01 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1ye0 h LEU 83 CO -0.03 0.62 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.28 1ye0 h SER 84 N 0.76 0.32 0.18 1.25 0.87 -0.66 -1.63 113.55 114.64 1ye0 h SER 84 Ca 0.18 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1ye0 h SER 84 Cb 0.15 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1ye0 h SER 84 CO -0.02 0.48 -0.09 0.44 -0.53 0.00 0.00 176.83 177.12 1ye0 h ASP 85 N 0.31 -0.20 -0.64 6.23 3.32 -0.31 -3.04 116.42 122.08 1ye0 h ASP 85 Ca 0.06 -0.25 0.11 0.00 0.02 0.00 0.00 57.03 56.97 1ye0 h ASP 85 Cb 0.43 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.91 1ye0 h ASP 85 CO 0.03 0.35 -0.36 0.25 -1.72 0.00 0.00 179.24 177.79 1ye0 h LEU 86 N -0.97 -1.26 -1.18 1.55 5.85 -1.13 0.47 115.31 118.65 1ye0 h LEU 86 Ca -0.02 0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1ye0 h LEU 86 Cb 0.44 0.62 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1ye0 h LEU 86 CO 0.04 -0.31 -0.15 0.45 -0.34 0.00 0.00 178.44 178.13 1ye0 h HIS 87 N -0.15 0.42 0.09 1.25 3.86 -1.43 -0.18 115.15 119.01 1ye0 h HIS 87 Ca 0.24 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 59.16 1ye0 h HIS 87 Cb 0.56 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1ye0 h HIS 87 CO -0.68 0.53 -1.14 0.00 0.86 0.00 0.00 177.93 177.50 1ye0 h ALA 88 N 1.49 0.13 0.10 2.45 0.00 -0.92 0.46 119.26 122.97 1ye0 h ALA 88 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 54.91 53.71 1ye0 h ALA 88 Cb 0.48 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ye0 h ALA 88 CO 0.03 0.65 -1.49 0.45 0.00 0.00 0.00 179.25 178.89 1ye0 h HIS 89 N -0.50 0.40 0.00 0.00 3.86 -0.22 -3.36 115.15 115.34 1ye0 h HIS 89 Ca -0.25 -0.29 -0.20 0.00 -1.16 0.00 0.00 60.37 58.47 1ye0 h HIS 89 Cb 1.59 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.01 1ye0 h HIS 89 CO 0.15 1.58 -1.21 1.17 0.86 0.00 0.00 177.93 180.48 1ye0 n LYS 90 N -3.91 0.54 0.04 2.45 4.81 -0.76 -4.58 118.16 116.76 1ye0 n LYS 90 Ca -0.27 0.53 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 1ye0 n LYS 90 Cb 0.90 -1.71 -0.14 0.00 0.02 0.00 0.00 35.03 34.11 1ye0 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ye0 h LEU 91 N -1.00 0.48 -2.38 3.14 3.38 -1.18 -3.49 115.31 114.26 1ye0 h LEU 91 Ca -0.30 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.58 1ye0 h LEU 91 Cb 1.15 -0.15 0.13 0.00 0.09 0.00 0.00 40.66 41.88 1ye0 h LEU 91 CO -0.18 1.35 -0.56 0.54 0.09 0.00 0.00 178.44 179.68 1ye0 n ARG 92 N -4.15 -2.36 -3.44 1.13 1.74 0.16 -4.99 116.66 104.75 1ye0 n ARG 92 Ca -0.13 0.58 -0.38 0.00 -0.77 0.00 0.00 57.85 57.15 1ye0 n ARG 92 Cb 0.78 -4.50 -0.08 0.00 -1.02 0.00 0.00 32.46 27.64 1ye0 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ye0 s VAL 93 N -3.25 5.22 0.09 1.55 1.01 -1.11 -5.02 120.40 118.89 1ye0 s VAL 93 Ca 0.22 0.58 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 1ye0 s VAL 93 Cb -0.03 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1ye0 s VAL 93 CO 0.49 0.25 1.84 -0.62 0.00 0.00 0.00 175.10 177.06 1ye0 s ASP 94 N 1.18 6.46 0.40 3.32 2.15 -1.26 -4.82 116.67 124.10 1ye0 s ASP 94 Ca 0.16 2.69 0.14 0.00 0.43 0.00 0.00 52.55 55.98 1ye0 s ASP 94 Cb -0.15 -2.56 0.77 0.00 -0.30 0.00 0.00 42.92 40.69 1ye0 s ASP 94 CO 0.08 -1.00 1.34 -0.65 -0.17 0.00 0.00 175.17 174.77 1ye0 h PRO 95 N 9.05 0.00 0.00 4.34 0.11 -1.99 0.26 132.00 143.77 1ye0 h PRO 95 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1ye0 h PRO 95 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1ye0 h PRO 95 CO 0.94 0.00 -0.52 -0.39 -0.21 0.00 0.00 178.00 177.83 1ye0 h VAL 96 N 0.00 1.05 0.00 3.15 -1.51 -2.03 -3.09 116.25 113.82 1ye0 h VAL 96 Ca 0.00 -2.02 -0.05 0.00 -1.23 0.00 0.00 66.70 63.41 1ye0 h VAL 96 Cb 0.77 2.20 -0.01 0.00 -2.13 0.00 0.00 31.29 32.12 1ye0 h VAL 96 CO 0.00 0.51 -0.22 0.78 -1.23 0.00 0.00 177.57 177.41 1ye0 h ASN 97 N 0.00 0.00 -0.18 4.19 4.21 -1.29 -2.35 115.58 120.16 1ye0 h ASN 97 Ca -0.01 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1ye0 h ASN 97 Cb 1.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.34 1ye0 h ASN 97 CO 0.07 0.22 -0.09 -0.26 -1.29 0.00 0.00 177.43 176.07 1ye0 h PHE 98 N 0.00 0.56 0.00 1.19 0.04 -1.72 -0.86 116.94 116.15 1ye0 h PHE 98 Ca -0.00 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 1ye0 h PHE 98 Cb 0.40 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1ye0 h PHE 98 CO 0.00 0.61 -0.27 1.57 -0.60 0.00 0.00 178.31 179.62 1ye0 h LYS 99 N 0.49 0.00 0.06 1.51 2.10 -1.56 -0.78 116.57 118.40 1ye0 h LYS 99 Ca 0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.62 1ye0 h LYS 99 Cb 0.46 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.80 1ye0 h LYS 99 CO 0.02 0.27 -0.53 -0.07 -2.00 0.00 0.00 179.45 177.15 1ye0 h LEU 100 N 0.00 0.36 -0.29 7.07 3.38 -1.43 -1.77 115.31 122.63 1ye0 h LEU 100 Ca -0.00 -0.89 0.07 0.00 0.09 0.00 0.00 57.88 57.15 1ye0 h LEU 100 Cb 0.76 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 1ye0 h LEU 100 CO 0.04 1.21 -0.20 0.25 0.09 0.00 0.00 178.44 179.82 1ye0 h LEU 101 N -0.44 -0.66 -0.89 1.67 5.85 -1.05 -2.20 115.31 117.60 1ye0 h LEU 101 Ca -0.08 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.84 1ye0 h LEU 101 Cb 1.35 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 42.64 1ye0 h LEU 101 CO 0.10 -0.24 0.55 0.28 -0.34 0.00 0.00 178.44 178.79 1ye0 h SER 102 N -0.18 0.85 -0.48 1.25 0.02 -1.11 -0.78 113.55 113.13 1ye0 h SER 102 Ca 0.15 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1ye0 h SER 102 Cb 0.41 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ye0 h SER 102 CO -0.40 0.53 0.10 -0.74 -1.14 0.00 0.00 176.83 175.18 1ye0 h HIS 103 N 0.98 0.87 0.00 3.45 -0.00 -0.98 -1.41 115.15 118.05 1ye0 h HIS 103 Ca 0.40 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.58 1ye0 h HIS 103 Cb 0.22 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1ye0 h HIS 103 CO -0.03 0.74 -0.46 0.00 -0.00 0.00 0.00 177.93 178.18 1ye0 h LEU 105 N 0.00 0.55 -0.94 0.00 5.85 -0.46 0.74 115.31 121.05 1ye0 h LEU 105 Ca -0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1ye0 h LEU 105 Cb 1.03 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1ye0 h LEU 105 CO 0.06 0.80 0.56 -0.07 -0.34 0.00 0.00 178.44 179.46 1ye0 h LEU 106 N 0.28 1.13 -0.06 2.25 3.38 -1.10 0.74 115.31 121.94 1ye0 h LEU 106 Ca 0.07 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ye0 h LEU 106 Cb 0.58 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ye0 h LEU 106 CO 0.03 0.87 0.03 0.58 0.09 0.00 0.00 178.44 180.04 1ye0 h VAL 107 N 1.30 1.06 0.20 1.22 2.07 -1.12 0.44 116.25 121.43 1ye0 h VAL 107 Ca 0.34 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1ye0 h VAL 107 Cb -0.05 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1ye0 h VAL 107 CO -0.06 0.05 -0.36 0.74 0.02 0.00 0.00 177.57 177.96 1ye0 h THR 108 N 0.02 0.26 -0.77 2.57 2.02 -0.21 -0.44 112.91 116.36 1ye0 h THR 108 Ca 0.02 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.34 1ye0 h THR 108 Cb 0.06 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 1ye0 h THR 108 CO -0.00 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.33 1ye0 h LEU 109 N -0.64 0.46 -0.48 2.58 3.38 0.81 -1.90 115.31 119.54 1ye0 h LEU 109 Ca 0.01 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1ye0 h LEU 109 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1ye0 h LEU 109 CO -0.16 0.24 -0.70 0.00 0.09 0.00 0.00 178.44 177.91 1ye0 h ALA 110 N 1.64 0.68 0.00 1.53 0.00 0.72 -2.57 119.26 121.25 1ye0 h ALA 110 Ca 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ye0 h ALA 110 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ye0 h ALA 110 CO -0.13 0.77 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1ye0 n ALA 111 N -2.49 2.02 0.46 0.00 0.00 -0.25 -3.50 120.51 116.74 1ye0 n ALA 111 Ca -0.03 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1ye0 n ALA 111 Cb 0.69 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 1ye0 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye0 n HIS 112 N -2.23 0.00 -2.93 0.00 -0.00 -1.16 -4.79 115.22 104.11 1ye0 n HIS 112 Ca 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.53 1ye0 n HIS 112 Cb 0.34 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 1ye0 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ye0 n LEU 113 N -1.41 3.34 -0.26 2.41 4.77 -0.97 -4.91 117.00 119.97 1ye0 n LEU 113 Ca 0.01 -5.32 0.02 0.00 -0.03 0.00 0.00 56.01 50.70 1ye0 n LEU 113 Cb 0.21 -0.14 0.15 0.00 -2.33 0.00 0.00 43.42 41.32 1ye0 n LEU 113 CO 0.25 2.28 1.08 -0.65 -1.33 0.00 0.00 177.39 179.02 1ye0 h PRO 114 N 2.94 0.62 -0.32 3.23 0.10 -1.86 -0.94 132.00 135.77 1ye0 h PRO 114 Ca 0.13 -0.04 -0.06 0.00 0.10 0.00 0.00 66.00 66.13 1ye0 h PRO 114 Cb 0.72 -0.14 -0.02 0.00 0.10 0.00 0.00 31.00 31.67 1ye0 h PRO 114 CO 0.72 0.41 -0.08 0.00 0.10 0.00 0.00 178.00 179.15 1ye0 h ALA 115 N 1.45 1.28 0.00 -0.75 0.00 -1.95 -3.30 119.26 115.99 1ye0 h ALA 115 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ye0 h ALA 115 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ye0 h ALA 115 CO -0.28 0.48 -1.00 -0.85 0.00 0.00 0.00 179.25 177.60 1ye0 n GLU 116 N -4.23 0.02 -2.31 0.00 0.00 -0.73 -4.69 120.64 108.71 1ye0 n GLU 116 Ca 0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1ye0 n GLU 116 Cb 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.24 1ye0 n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ye0 n PHE 117 N -1.53 2.68 -1.70 -1.84 7.35 -0.44 -4.82 117.46 117.16 1ye0 n PHE 117 Ca 0.04 -2.75 -0.30 0.00 -0.76 0.00 0.00 57.45 53.68 1ye0 n PHE 117 Cb 0.34 -1.73 0.08 0.00 0.35 0.00 0.00 39.48 38.52 1ye0 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye0 s THR 118 N -1.19 2.98 0.22 -2.13 -4.23 -1.26 -4.77 115.64 105.25 1ye0 s THR 118 Ca 0.44 0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 61.12 1ye0 s THR 118 Cb 0.14 -3.17 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1ye0 s THR 118 CO -0.04 -0.41 1.59 -0.65 -0.54 0.00 0.00 174.62 174.57 1ye0 h PRO 119 N -0.98 -0.05 -0.25 3.99 0.11 -1.97 0.49 132.00 133.34 1ye0 h PRO 119 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1ye0 h PRO 119 Cb 1.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1ye0 h PRO 119 CO 0.62 -0.03 0.13 0.00 -0.21 0.00 0.00 178.00 178.51 1ye0 h ALA 120 N 1.51 0.32 -0.55 -0.75 0.00 -1.97 0.29 119.26 118.11 1ye0 h ALA 120 Ca 0.33 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ye0 h ALA 120 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ye0 h ALA 120 CO -0.80 -0.14 -0.00 0.28 0.00 0.00 0.00 179.25 178.59 1ye0 h VAL 121 N 0.28 1.26 -0.76 0.00 2.07 -1.79 0.25 116.25 117.56 1ye0 h VAL 121 Ca 0.09 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ye0 h VAL 121 Cb 0.08 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1ye0 h VAL 121 CO -0.01 0.39 0.43 -0.74 0.02 0.00 0.00 177.57 177.66 1ye0 h HIS 122 N 0.87 1.03 0.00 1.57 6.17 0.75 -0.30 115.15 125.24 1ye0 h HIS 122 Ca 0.16 -0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.13 1ye0 h HIS 122 Cb 0.52 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 30.10 1ye0 h HIS 122 CO 0.03 0.71 -0.44 0.00 0.71 0.00 0.00 177.93 178.94 1ye0 h ALA 123 N 1.40 0.96 0.14 5.26 0.00 0.30 -2.44 119.26 124.89 1ye0 h ALA 123 Ca 0.27 -0.40 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 1ye0 h ALA 123 Cb 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ye0 h ALA 123 CO -0.05 0.55 -1.27 0.77 0.00 0.00 0.00 179.25 179.26 1ye0 h SER 124 N 0.00 0.67 0.09 0.00 0.02 0.22 -3.13 113.55 111.42 1ye0 h SER 124 Ca -0.00 -0.67 -0.00 0.00 -0.84 0.00 0.00 61.79 60.27 1ye0 h SER 124 Cb 0.98 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1ye0 h SER 124 CO 0.06 1.50 -0.04 -0.07 -1.14 0.00 0.00 176.83 177.13 1ye0 h LEU 125 N 0.17 -0.11 -0.94 5.07 3.38 -1.09 -1.36 115.31 120.43 1ye0 h LEU 125 Ca -0.17 -0.24 0.19 0.00 0.09 0.00 0.00 57.88 57.74 1ye0 h LEU 125 Cb 1.96 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.63 1ye0 h LEU 125 CO 0.23 0.18 0.52 -0.78 0.09 0.00 0.00 178.44 178.68 1ye0 h ASP 126 N -0.40 0.62 -0.02 -0.43 3.58 -1.57 -0.03 116.42 118.16 1ye0 h ASP 126 Ca -0.01 0.11 -0.18 0.00 0.42 0.00 0.00 57.03 57.37 1ye0 h ASP 126 Cb 0.34 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1ye0 h ASP 126 CO 0.02 0.19 -0.60 0.11 -2.88 0.00 0.00 179.24 176.08 1ye0 h LYS 127 N 0.64 0.62 0.70 0.28 1.57 -1.46 -1.92 116.57 117.00 1ye0 h LYS 127 Ca 0.55 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1ye0 h LYS 127 Cb 0.88 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ye0 h LYS 127 CO -0.41 1.04 -0.34 0.35 -0.57 0.00 0.00 179.45 179.52 1ye0 h PHE 128 N 0.47 -0.87 -0.78 -1.35 3.57 -0.10 -1.92 116.94 115.96 1ye0 h PHE 128 Ca -0.00 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.65 1ye0 h PHE 128 Cb 1.17 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 1ye0 h PHE 128 CO 0.06 -0.54 0.52 -0.07 -2.23 0.00 0.00 178.31 176.04 1ye0 h LEU 129 N -1.02 0.33 -0.95 0.59 3.38 -1.08 0.66 115.31 117.21 1ye0 h LEU 129 Ca -0.10 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1ye0 h LEU 129 Cb 0.72 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ye0 h LEU 129 CO 0.16 0.16 -0.52 0.00 0.09 0.00 0.00 178.44 178.33 1ye0 h ALA 130 N 1.64 1.13 0.05 1.53 0.00 -1.22 0.13 119.26 122.52 1ye0 h ALA 130 Ca 0.39 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1ye0 h ALA 130 Cb 1.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ye0 h ALA 130 CO -0.11 0.65 -1.04 1.03 0.00 0.00 0.00 179.25 179.78 1ye0 h SER 131 N 0.00 0.38 -0.61 0.00 0.87 0.69 -1.62 113.55 113.27 1ye0 h SER 131 Ca -0.01 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1ye0 h SER 131 Cb 0.93 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1ye0 h SER 131 CO 0.07 1.20 0.21 0.58 -0.53 0.00 0.00 176.83 178.36 1ye0 h VAL 132 N 0.12 1.24 -0.05 2.23 2.07 0.56 -2.95 116.25 119.47 1ye0 h VAL 132 Ca -0.09 -0.78 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 1ye0 h VAL 132 Cb 1.72 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1ye0 h VAL 132 CO 0.17 0.30 -0.52 0.28 0.02 0.00 0.00 177.57 177.81 1ye0 h SER 133 N 0.85 0.15 -0.53 0.57 0.02 -0.62 -2.63 113.55 111.36 1ye0 h SER 133 Ca 0.20 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ye0 h SER 133 Cb 0.25 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1ye0 h SER 133 CO -0.01 0.65 0.17 0.74 -1.14 0.00 0.00 176.83 177.24 1ye0 h THR 134 N 0.11 1.23 -0.57 -2.27 2.02 -1.18 -2.80 112.91 109.44 1ye0 h THR 134 Ca 0.00 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1ye0 h THR 134 Cb 0.97 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1ye0 h THR 134 CO 0.08 0.29 0.19 0.58 0.37 0.00 0.00 175.52 177.02 1ye0 h VAL 135 N 0.73 1.24 0.00 3.16 2.07 -1.35 -1.39 116.25 120.71 1ye0 h VAL 135 Ca 0.17 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ye0 h VAL 135 Cb 0.26 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ye0 h VAL 135 CO -0.01 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.06 1ye0 n LEU 136 N -4.44 0.00 0.00 2.57 4.77 -1.01 -2.15 117.00 116.74 1ye0 n LEU 136 Ca 0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1ye0 n LEU 136 Cb 0.20 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ye0 n LEU 136 CO 0.40 -0.06 0.13 0.41 -1.33 0.00 0.00 177.39 176.94 1ye0 n THR 137 N -1.17 0.00 0.28 -5.08 -1.04 -0.98 -4.62 114.28 101.67 1ye0 n THR 137 Ca 0.12 -0.37 0.17 0.00 -2.04 0.00 0.00 64.05 61.93 1ye0 n THR 137 Cb 0.13 1.19 0.81 0.00 -1.82 0.00 0.00 70.33 70.64 1ye0 n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ye0 h SER 138 N 0.00 0.00 -0.61 8.00 4.64 -0.74 -3.15 113.55 121.69 1ye0 h SER 138 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1ye0 h SER 138 Cb 0.10 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.93 1ye0 h SER 138 CO 0.00 0.06 -0.15 0.29 -0.87 0.00 0.00 176.83 176.16 1ye0 n LYS 139 N -3.30 2.59 0.05 4.77 5.02 -1.26 -4.76 118.16 121.27 1ye0 n LYS 139 Ca -0.01 -3.54 -0.04 0.00 -2.02 0.00 0.00 58.31 52.70 1ye0 n LYS 139 Cb 0.23 -2.06 0.18 0.00 -0.02 0.00 0.00 35.03 33.36 1ye0 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1ye0 h TYR 140 N 1.58 0.43 0.00 2.13 0.05 -1.92 -3.46 116.97 115.79 1ye0 h TYR 140 Ca 0.35 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 59.01 1ye0 h TYR 140 Cb 1.47 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1ye0 h TYR 140 CO 1.06 0.72 0.00 2.89 -1.05 0.00 0.00 178.16 181.78