#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeu s LEU 2 N 0.00 4.38 0.40 7.52 1.43 -1.26 -5.03 118.68 126.12 1yeu s LEU 2 Ca 0.00 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1yeu s LEU 2 Cb 0.00 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1yeu s LEU 2 CO 0.00 -0.95 0.60 -0.94 0.23 0.00 0.00 176.35 175.29 1yeu s SER 3 N 3.10 6.03 0.35 2.29 1.04 -1.26 -4.93 113.70 120.32 1yeu s SER 3 Ca 0.78 0.30 0.09 0.00 0.48 0.00 0.00 55.95 57.59 1yeu s SER 3 Cb -0.40 -1.69 0.82 0.00 0.10 0.00 0.00 66.02 64.85 1yeu s SER 3 CO 0.34 -0.51 1.86 -0.65 0.98 0.00 0.00 173.24 175.26 1yeu h PRO 4 N 0.59 0.67 -0.28 4.02 0.11 -1.98 0.68 132.00 135.81 1yeu h PRO 4 Ca -0.48 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1yeu h PRO 4 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yeu h PRO 4 CO 0.58 0.44 -0.33 0.00 -0.21 0.00 0.00 178.00 178.49 1yeu h ALA 5 N 1.60 0.89 0.40 -0.75 0.00 -1.99 -0.77 119.26 118.63 1yeu h ALA 5 Ca 0.46 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 5 Cb 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1yeu h ALA 5 CO -0.21 0.63 -0.19 -0.44 0.00 0.00 0.00 179.25 179.03 1yeu h ASP 6 N 0.52 -0.45 -1.02 0.00 3.32 -1.57 -1.00 116.42 116.22 1yeu h ASP 6 Ca 0.06 -0.04 0.26 0.00 0.02 0.00 0.00 57.03 57.32 1yeu h ASP 6 Cb 0.83 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.41 1yeu h ASP 6 CO 0.07 -0.24 0.67 0.11 -1.72 0.00 0.00 179.24 178.13 1yeu h LYS 7 N -0.64 0.35 0.02 3.56 1.57 -0.74 -0.16 116.57 120.53 1yeu h LYS 7 Ca -0.05 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1yeu h LYS 7 Cb 0.47 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1yeu h LYS 7 CO 0.09 0.23 -0.69 1.15 -0.57 0.00 0.00 179.45 179.66 1yeu h THR 8 N 0.36 1.42 -0.92 -0.16 2.02 -0.82 -2.78 112.91 112.02 1yeu h THR 8 Ca 0.56 -2.15 0.03 0.00 0.77 0.00 0.00 66.41 65.62 1yeu h THR 8 Cb 1.50 2.63 -0.05 0.00 -1.74 0.00 0.00 68.15 70.49 1yeu h THR 8 CO -0.24 0.63 0.60 0.78 0.37 0.00 0.00 175.52 177.66 1yeu h ASN 9 N -0.07 1.00 -0.53 4.18 2.35 0.27 -1.88 115.58 120.90 1yeu h ASN 9 Ca -0.09 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 1yeu h ASN 9 Cb 1.40 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1yeu h ASN 9 CO 0.13 0.69 -0.14 0.58 -1.65 0.00 0.00 177.43 177.05 1yeu h VAL 10 N 1.17 1.27 -0.66 2.81 2.07 -1.10 -0.55 116.25 121.26 1yeu h VAL 10 Ca 0.37 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 1yeu h VAL 10 Cb -0.01 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1yeu h VAL 10 CO -0.12 0.46 0.08 0.11 0.02 0.00 0.00 177.57 178.12 1yeu h LYS 11 N 0.91 1.10 0.64 1.57 1.57 -1.35 -1.76 116.57 119.25 1yeu h LYS 11 Ca 0.13 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1yeu h LYS 11 Cb 0.72 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1yeu h LYS 11 CO 0.05 1.02 -0.31 0.00 -0.57 0.00 0.00 179.45 179.65 1yeu h ALA 12 N 1.05 -0.86 -0.37 3.86 0.00 -1.01 -1.04 119.26 120.89 1yeu h ALA 12 Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 12 Cb 0.47 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1yeu h ALA 12 CO 0.02 -0.91 0.13 0.00 0.00 0.00 0.00 179.25 178.48 1yeu h ALA 13 N -0.75 0.43 -0.09 0.00 0.00 -1.14 -2.21 119.26 115.49 1yeu h ALA 13 Ca -0.09 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1yeu h ALA 13 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1yeu h ALA 13 CO 0.14 -0.27 -0.30 2.35 0.00 0.00 0.00 179.25 181.18 1yeu h TRP 14 N 0.28 0.18 0.00 0.00 2.91 -1.29 -1.75 115.95 116.27 1yeu h TRP 14 Ca 0.17 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1yeu h TRP 14 Cb 0.14 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1yeu h TRP 14 CO -0.15 0.45 -0.14 0.78 -1.03 0.00 0.00 178.44 178.36 1yeu h GLY 15 N 1.01 0.00 0.89 2.65 0.00 -0.56 -2.13 103.07 104.93 1yeu h GLY 15 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1yeu h GLY 15 CO 0.04 0.00 -1.18 0.50 0.00 0.00 0.00 176.54 175.90 1yeu h LYS 16 N 0.00 0.39 -0.81 4.80 1.79 -1.10 -3.22 116.57 118.42 1yeu h LYS 16 Ca -0.00 -0.67 0.19 0.00 -2.18 0.00 0.00 60.65 57.99 1yeu h LYS 16 Cb 0.50 0.25 -0.14 0.00 -1.58 0.00 0.00 32.23 31.25 1yeu h LYS 16 CO 0.02 1.32 -0.02 0.28 -1.08 0.00 0.00 179.45 179.97 1yeu h VAL 17 N -0.15 0.26 0.00 0.50 2.07 -0.86 -3.43 116.25 114.64 1yeu h VAL 17 Ca -0.22 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1yeu h VAL 17 Cb 1.88 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1yeu h VAL 17 CO 0.19 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1yeu n GLY 18 N -1.45 1.48 0.15 2.17 0.00 -0.94 -1.12 105.19 105.48 1yeu n GLY 18 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1yeu n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yeu n ALA 19 N 5.17 0.42 0.78 4.61 0.00 -1.26 -0.98 120.51 129.25 1yeu n ALA 19 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.65 1yeu n ALA 19 Cb 0.00 -0.52 0.39 0.00 0.00 0.00 0.00 19.45 19.31 1yeu n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeu n HIS 20 N -1.90 0.43 -0.31 0.00 8.25 -0.28 -4.40 115.22 117.02 1yeu n HIS 20 Ca -0.01 0.13 0.20 0.00 -0.26 0.00 0.00 57.72 57.78 1yeu n HIS 20 Cb 0.45 -0.64 0.38 0.00 1.12 0.00 0.00 29.99 31.29 1yeu n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yeu n ALA 21 N -1.67 0.65 -0.11 -1.41 0.00 -0.16 -0.25 120.51 117.57 1yeu n ALA 21 Ca 0.05 0.96 -0.10 0.00 0.00 0.00 0.00 53.44 54.36 1yeu n ALA 21 Cb 0.39 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1yeu n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yeu h GLY 22 N 0.00 0.52 1.18 0.00 0.00 -1.85 0.25 103.07 103.18 1yeu h GLY 22 Ca 0.64 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 1yeu h GLY 22 CO -0.80 0.27 0.03 0.83 0.00 0.00 0.00 176.54 176.87 1yeu h GLU 23 N 0.38 0.99 -0.26 4.80 5.08 -0.93 -2.05 114.58 122.59 1yeu h GLU 23 Ca 0.11 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1yeu h GLU 23 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1yeu h GLU 23 CO -0.01 0.95 0.02 1.88 -1.00 0.00 0.00 179.01 180.85 1yeu h TYR 24 N 0.91 0.48 -0.54 4.33 -1.99 -0.99 -0.10 116.97 119.07 1yeu h TYR 24 Ca 0.17 -0.08 0.09 0.00 2.00 0.00 0.00 58.73 60.91 1yeu h TYR 24 Cb 0.49 -0.13 -0.07 0.00 2.00 0.00 0.00 36.73 39.03 1yeu h TYR 24 CO 0.03 0.58 0.16 0.78 -0.00 0.00 0.00 178.16 179.71 1yeu h GLY 25 N 0.23 0.71 0.99 3.88 0.00 -0.33 0.57 103.07 109.12 1yeu h GLY 25 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1yeu h GLY 25 CO 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 176.54 176.36 1yeu h ALA 26 N 1.39 0.54 -0.35 3.60 0.00 -1.20 -1.99 119.26 121.26 1yeu h ALA 26 Ca 0.27 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1yeu h ALA 26 Cb 0.34 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1yeu h ALA 26 CO -0.31 0.45 -0.01 1.49 0.00 0.00 0.00 179.25 180.88 1yeu h GLU 27 N 0.59 0.08 -0.41 0.00 4.81 -0.17 -1.32 114.58 118.16 1yeu h GLU 27 Ca 0.09 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1yeu h GLU 27 Cb 0.69 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1yeu h GLU 27 CO 0.05 0.06 0.15 0.00 -0.73 0.00 0.00 179.01 178.54 1yeu h ALA 28 N 1.31 1.51 -0.25 2.92 0.00 -0.62 0.13 119.26 124.25 1yeu h ALA 28 Ca 0.17 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yeu h ALA 28 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1yeu h ALA 28 CO -0.29 0.38 -0.14 -0.07 0.00 0.00 0.00 179.25 179.13 1yeu h LEU 29 N 0.57 0.55 -1.14 0.00 3.38 -0.62 -1.51 115.31 116.54 1yeu h LEU 29 Ca 0.14 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1yeu h LEU 29 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1yeu h LEU 29 CO -0.01 0.86 0.12 -0.08 0.09 0.00 0.00 178.44 179.42 1yeu h GLU 30 N 0.25 0.73 -0.14 1.13 4.81 -0.90 -1.41 114.58 119.05 1yeu h GLU 30 Ca 0.05 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1yeu h GLU 30 Cb 0.66 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1yeu h GLU 30 CO 0.04 0.66 0.01 0.00 -0.73 0.00 0.00 179.01 178.99 1yeu h ARG 31 N 0.71 0.24 -0.53 1.92 3.08 -0.69 -2.53 114.38 116.57 1yeu h ARG 31 Ca 0.16 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1yeu h ARG 31 Cb 0.25 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 1yeu h ARG 31 CO -0.00 0.45 0.23 1.98 -1.07 0.00 0.00 179.97 181.55 1yeu h MET 32 N -0.00 0.42 -0.74 0.04 4.05 -0.98 0.21 114.93 117.93 1yeu h MET 32 Ca 0.04 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1yeu h MET 32 Cb 0.33 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 1yeu h MET 32 CO 0.00 0.28 0.24 0.74 0.23 0.00 0.00 176.91 178.41 1yeu h PHE 33 N 0.43 1.17 0.09 1.39 0.04 -1.20 0.17 116.94 119.03 1yeu h PHE 33 Ca 0.25 -0.11 -0.26 0.00 2.80 0.00 0.00 57.97 60.65 1yeu h PHE 33 Cb 0.23 -0.34 0.01 0.00 2.20 0.00 0.00 35.95 38.05 1yeu h PHE 33 CO -0.14 0.92 -1.14 -0.07 -0.60 0.00 0.00 178.31 177.28 1yeu h LEU 34 N 1.09 0.54 0.03 1.54 3.38 -1.24 -3.28 115.31 117.38 1yeu h LEU 34 Ca 0.24 -0.51 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 1yeu h LEU 34 Cb 0.28 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1yeu h LEU 34 CO -0.01 1.36 -1.20 0.28 0.09 0.00 0.00 178.44 178.96 1yeu h SER 35 N 0.16 0.09 -2.40 -0.43 0.02 -0.67 -3.40 113.55 106.93 1yeu h SER 35 Ca -0.13 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.12 1yeu h SER 35 Cb 1.83 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 63.95 1yeu h SER 35 CO 0.20 1.09 -0.91 0.49 -1.14 0.00 0.00 176.83 176.56 1yeu n PHE 36 N -3.33 0.21 0.14 3.45 3.72 0.58 -5.00 117.46 117.23 1yeu n PHE 36 Ca -0.05 -3.59 0.19 0.00 -0.05 0.00 0.00 57.45 53.95 1yeu n PHE 36 Cb 0.98 -0.07 0.78 0.00 -0.94 0.00 0.00 39.48 40.23 1yeu n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yeu h PRO 37 N 5.15 0.00 0.00 -1.08 0.11 -1.74 -1.63 132.00 132.82 1yeu h PRO 37 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1yeu h PRO 37 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1yeu h PRO 37 CO 0.48 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.06 1yeu h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -1.73 112.91 109.46 1yeu h THR 38 Ca 0.15 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 1yeu h THR 38 Cb 0.82 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1yeu h THR 38 CO -0.00 0.00 -0.23 0.71 -0.25 0.00 0.00 175.52 175.75 1yeu h THR 39 N 0.00 0.70 0.00 6.82 1.35 -1.62 -2.57 112.91 117.59 1yeu h THR 39 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1yeu h THR 39 Cb 0.18 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1yeu h THR 39 CO 0.00 0.22 0.09 0.11 -0.25 0.00 0.00 175.52 175.69 1yeu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.51 -2.77 116.57 118.57 1yeu h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yeu h LYS 40 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1yeu h LYS 40 CO 0.03 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.70 1yeu h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.65 -2.11 112.91 110.34 1yeu h THR 41 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1yeu h THR 41 Cb 0.17 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1yeu h THR 41 CO 0.00 0.00 -0.39 -1.22 -0.25 0.00 0.00 175.52 173.66 1yeu n TYR 42 N -2.74 0.00 -2.49 4.73 4.01 -1.05 -4.28 117.16 115.35 1yeu n TYR 42 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1yeu n TYR 42 Cb 0.18 -0.15 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1yeu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yeu n PHE 43 N -0.94 2.83 0.27 -0.72 3.01 -0.79 -4.89 117.46 116.23 1yeu n PHE 43 Ca 0.09 -2.96 0.11 0.00 1.01 0.00 0.00 57.45 55.70 1yeu n PHE 43 Cb 0.35 -0.17 0.73 0.00 -0.01 0.00 0.00 39.48 40.39 1yeu n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yeu h PRO 44 N 2.64 0.00 -0.52 -1.08 0.13 -1.74 -2.54 132.00 128.90 1yeu h PRO 44 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1yeu h PRO 44 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1yeu h PRO 44 CO 0.75 0.05 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1yeu n HIS 45 N -4.13 0.64 -4.27 1.56 1.44 -1.26 -4.89 115.22 104.31 1yeu n HIS 45 Ca -0.03 -0.26 -0.33 0.00 -2.01 0.00 0.00 57.72 55.09 1yeu n HIS 45 Cb 0.13 -0.11 -0.09 0.00 0.12 0.00 0.00 29.99 30.05 1yeu n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yeu s PHE 46 N -1.64 3.13 -0.07 -1.40 0.40 -0.96 -5.07 117.98 112.37 1yeu s PHE 46 Ca 0.23 0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.39 1yeu s PHE 46 Cb 0.14 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 1yeu s PHE 46 CO 0.12 0.48 1.36 0.34 0.70 0.00 0.00 175.22 178.22 1yeu s ASP 47 N -1.45 6.89 -0.04 1.36 -1.08 -1.26 -4.89 116.67 116.21 1yeu s ASP 47 Ca 0.19 1.94 0.12 0.00 -0.52 0.00 0.00 52.55 54.27 1yeu s ASP 47 Cb -0.12 -2.55 0.34 0.00 -1.46 0.00 0.00 42.92 39.14 1yeu s ASP 47 CO 0.09 -0.74 1.28 0.18 0.52 0.00 0.00 175.17 176.50 1yeu n LEU 48 N 6.01 3.08 -4.74 -1.34 4.77 -1.26 -4.47 117.00 119.04 1yeu n LEU 48 Ca 0.14 -2.21 -0.30 0.00 -0.03 0.00 0.00 56.01 53.61 1yeu n LEU 48 Cb 0.44 -0.29 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 1yeu n LEU 48 CO 0.58 0.71 0.68 -0.94 -1.33 0.00 0.00 177.39 177.09 1yeu s SER 49 N -1.19 3.92 0.26 -1.43 1.04 -1.26 -4.93 113.70 110.10 1yeu s SER 49 Ca 0.26 1.55 -0.31 0.00 0.48 0.00 0.00 55.95 57.94 1yeu s SER 49 Cb 0.16 -2.25 -0.11 0.00 0.10 0.00 0.00 66.02 63.92 1yeu s SER 49 CO 0.14 -2.37 1.60 -2.28 0.98 0.00 0.00 173.24 171.31 1yeu s HIS 50 N -2.96 2.84 0.00 5.02 2.46 -1.26 -2.21 115.29 119.19 1yeu s HIS 50 Ca 0.62 0.70 0.00 0.00 0.47 0.00 0.00 55.06 56.85 1yeu s HIS 50 Cb -0.17 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 1yeu s HIS 50 CO 0.56 -3.64 0.00 0.41 -2.47 0.00 0.00 174.74 169.61 1yeu n GLY 51 N 2.71 3.28 1.67 1.59 0.00 -1.26 -4.99 105.19 108.20 1yeu n GLY 51 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1yeu n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yeu n SER 52 N 0.02 -0.34 -0.02 1.61 2.88 -0.94 -4.81 113.62 112.03 1yeu n SER 52 Ca 0.00 0.55 -0.11 0.00 -1.33 0.00 0.00 58.87 57.98 1yeu n SER 52 Cb 0.00 -0.45 0.03 0.00 -0.75 0.00 0.00 64.21 63.04 1yeu n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yeu h ALA 53 N 0.91 0.64 -0.87 -1.46 0.00 -1.90 -2.63 119.26 113.95 1yeu h ALA 53 Ca -0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1yeu h ALA 53 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1yeu h ALA 53 CO 0.29 0.69 0.45 1.96 0.00 0.00 0.00 179.25 182.64 1yeu h GLN 54 N 0.50 1.22 -0.03 0.00 4.20 -1.90 -0.49 115.11 118.62 1yeu h GLN 54 Ca 0.01 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1yeu h GLN 54 Cb 1.10 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1yeu h GLN 54 CO 0.11 0.91 0.00 0.28 -0.67 0.00 0.00 178.83 179.46 1yeu h VAL 55 N 1.22 1.22 0.27 -0.54 2.07 -1.77 0.33 116.25 119.06 1yeu h VAL 55 Ca 0.30 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1yeu h VAL 55 Cb 0.06 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1yeu h VAL 55 CO -0.04 0.18 -0.44 0.11 0.02 0.00 0.00 177.57 177.40 1yeu h LYS 56 N -0.22 -0.75 -0.71 1.57 1.57 -1.32 0.40 116.57 117.12 1yeu h LYS 56 Ca 0.01 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 1yeu h LYS 56 Cb 0.28 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.65 1yeu h LYS 56 CO 0.00 -0.50 0.11 0.78 -0.57 0.00 0.00 179.45 179.27 1yeu h GLY 57 N -0.77 0.90 1.80 3.86 0.00 -1.02 0.87 103.07 108.70 1yeu h GLY 57 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1yeu h GLY 57 CO -0.16 -0.21 -0.02 0.84 0.00 0.00 0.00 176.54 176.98 1yeu h HIS 58 N 0.20 0.26 -0.93 5.60 -0.00 0.83 -2.92 115.15 118.20 1yeu h HIS 58 Ca 0.39 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.77 1yeu h HIS 58 Cb 0.66 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.94 1yeu h HIS 58 CO -0.31 0.30 0.61 0.78 -0.00 0.00 0.00 177.93 179.31 1yeu h GLY 59 N 0.57 1.33 1.49 5.26 0.00 0.51 -1.73 103.07 110.51 1yeu h GLY 59 Ca 0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 1yeu h GLY 59 CO 0.01 0.43 -0.54 1.70 0.00 0.00 0.00 176.54 178.13 1yeu h LYS 60 N 1.20 0.54 0.24 4.80 3.64 -1.25 -2.24 116.57 123.51 1yeu h LYS 60 Ca 0.36 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1yeu h LYS 60 Cb -0.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1yeu h LYS 60 CO -0.10 0.94 -0.12 0.87 -2.27 0.00 0.00 179.45 178.78 1yeu h LYS 61 N 0.42 -0.31 -0.52 1.90 1.57 -1.24 0.12 116.57 118.51 1yeu h LYS 61 Ca 0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1yeu h LYS 61 Cb 1.08 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1yeu h LYS 61 CO 0.10 -0.12 0.30 0.28 -0.57 0.00 0.00 179.45 179.44 1yeu h VAL 62 N -0.45 1.03 -0.58 0.50 2.07 -1.32 -1.23 116.25 116.28 1yeu h VAL 62 Ca -0.03 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1yeu h VAL 62 Cb 0.34 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1yeu h VAL 62 CO 0.05 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.89 1yeu h ALA 63 N 1.24 0.76 -0.71 1.67 0.00 -1.33 -1.08 119.26 119.81 1yeu h ALA 63 Ca 0.21 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1yeu h ALA 63 Cb 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1yeu h ALA 63 CO -0.11 0.47 0.44 -0.44 0.00 0.00 0.00 179.25 179.61 1yeu h ASP 64 N 0.83 0.71 -0.32 0.00 5.19 -0.60 0.36 116.42 122.59 1yeu h ASP 64 Ca 0.18 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.53 1yeu h ASP 64 Cb 0.35 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 1yeu h ASP 64 CO 0.00 0.49 -0.01 0.00 -3.12 0.00 0.00 179.24 176.60 1yeu h ALA 65 N 1.32 1.19 -0.48 3.45 0.00 -0.26 -0.41 119.26 124.06 1yeu h ALA 65 Ca 0.29 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1yeu h ALA 65 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1yeu h ALA 65 CO -0.12 0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 179.43 1yeu h LEU 66 N 0.64 0.94 -0.46 0.00 3.38 -0.84 -1.53 115.31 117.44 1yeu h LEU 66 Ca 0.13 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1yeu h LEU 66 Cb 0.42 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1yeu h LEU 66 CO 0.02 1.09 0.07 0.74 0.09 0.00 0.00 178.44 180.44 1yeu h THR 67 N 0.82 0.72 0.00 0.22 2.02 -0.05 0.49 112.91 117.13 1yeu h THR 67 Ca 0.12 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1yeu h THR 67 Cb 0.70 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1yeu h THR 67 CO 0.05 0.04 -0.23 -1.13 0.37 0.00 0.00 175.52 174.62 1yeu h ASN 68 N 0.20 0.00 -0.10 4.18 -1.24 -0.81 -2.41 115.58 115.41 1yeu h ASN 68 Ca 0.23 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.07 1yeu h ASN 68 Cb 0.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1yeu h ASN 68 CO -0.32 0.23 -0.54 0.00 -1.29 0.00 0.00 177.43 175.51 1yeu h ALA 69 N 1.77 0.62 0.04 1.57 0.00 0.07 -1.96 119.26 121.36 1yeu h ALA 69 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1yeu h ALA 69 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yeu h ALA 69 CO 0.03 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 1yeu h VAL 70 N 0.52 1.05 -0.53 0.00 2.07 -0.62 0.12 116.25 118.86 1yeu h VAL 70 Ca 0.01 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.38 1yeu h VAL 70 Cb 1.11 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1yeu h VAL 70 CO 0.11 0.07 0.37 0.00 0.02 0.00 0.00 177.57 178.14 1yeu h ALA 71 N 0.79 2.25 -0.45 1.67 0.00 -1.47 -1.33 119.26 120.72 1yeu h ALA 71 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1yeu h ALA 71 Cb 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.76 1yeu h ALA 71 CO 0.01 -0.39 -0.13 0.72 0.00 0.00 0.00 179.25 179.46 1yeu n HIS 72 N -4.44 1.46 -0.34 0.00 8.25 -0.74 -4.73 115.22 114.68 1yeu n HIS 72 Ca 0.09 -1.81 0.16 0.00 -0.26 0.00 0.00 57.72 55.91 1yeu n HIS 72 Cb 0.47 -0.54 0.38 0.00 1.12 0.00 0.00 29.99 31.42 1yeu n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yeu h VAL 73 N 1.16 0.62 0.00 1.59 3.04 0.43 -0.92 116.25 122.16 1yeu h VAL 73 Ca 0.27 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1yeu h VAL 73 Cb 1.57 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1yeu h VAL 73 CO 0.53 0.12 0.00 0.44 -1.01 0.00 0.00 177.57 177.64 1yeu h ASP 74 N 0.64 0.00 -1.05 3.17 3.32 -1.85 -3.31 116.42 117.34 1yeu h ASP 74 Ca 0.60 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 57.27 1yeu h ASP 74 Cb 1.11 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.38 1yeu h ASP 74 CO -0.40 0.00 -0.83 -0.90 -1.72 0.00 0.00 179.24 175.40 1yeu n ASP 75 N -2.32 -0.99 -0.26 6.45 3.85 -0.37 -5.01 116.55 117.90 1yeu n ASP 75 Ca 0.02 -3.17 -0.06 0.00 -0.71 0.00 0.00 54.79 50.88 1yeu n ASP 75 Cb 0.26 0.57 0.05 0.00 -1.35 0.00 0.00 41.12 40.66 1yeu n ASP 75 CO 0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.20 176.43 1yeu h MET 76 N 3.49 1.03 -0.64 0.11 2.86 -1.60 -2.24 114.93 117.94 1yeu h MET 76 Ca -0.01 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1yeu h MET 76 Cb 0.99 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.40 1yeu h MET 76 CO 0.36 0.80 0.31 -1.35 1.06 0.00 0.00 176.91 178.08 1yeu h PRO 77 N 1.01 0.53 0.03 -0.22 0.11 -1.93 0.98 132.00 132.50 1yeu h PRO 77 Ca 0.25 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1yeu h PRO 77 Cb 0.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1yeu h PRO 77 CO -0.03 0.35 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.18 1yeu h ASN 78 N 0.55 -0.03 0.61 -2.05 -0.26 -1.92 -0.31 115.58 112.16 1yeu h ASN 78 Ca 0.31 -0.31 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1yeu h ASN 78 Cb 0.30 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1yeu h ASN 78 CO -0.25 0.29 -0.17 0.00 -1.06 0.00 0.00 177.43 176.25 1yeu h ALA 79 N 0.59 1.16 -0.51 -0.83 0.00 -0.72 -2.72 119.26 116.22 1yeu h ALA 79 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yeu h ALA 79 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yeu h ALA 79 CO 0.01 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1yeu n LEU 80 N -3.51 3.40 -0.29 0.00 4.77 0.33 -4.67 117.00 117.03 1yeu n LEU 80 Ca -0.01 -1.92 0.08 0.00 -0.03 0.00 0.00 56.01 54.14 1yeu n LEU 80 Cb 0.32 -0.34 0.24 0.00 -2.33 0.00 0.00 43.42 41.31 1yeu n LEU 80 CO 0.31 0.84 1.07 -1.28 -1.33 0.00 0.00 177.39 177.00 1yeu h SER 81 N 3.27 0.42 0.02 -1.43 0.87 -0.71 -0.65 113.55 115.34 1yeu h SER 81 Ca 0.00 0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 1yeu h SER 81 Cb 0.86 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1yeu h SER 81 CO 0.00 0.14 -0.32 0.00 -0.53 0.00 0.00 176.83 176.12 1yeu h ALA 82 N 1.60 1.07 0.00 6.23 0.00 -1.83 -2.65 119.26 123.67 1yeu h ALA 82 Ca 0.48 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1yeu h ALA 82 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1yeu h ALA 82 CO -0.42 0.58 -0.65 -0.07 0.00 0.00 0.00 179.25 178.68 1yeu h LEU 83 N 0.37 0.00 -0.49 0.00 3.38 -1.60 -2.76 115.31 114.20 1yeu h LEU 83 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1yeu h LEU 83 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1yeu h LEU 83 CO 0.06 0.56 -0.10 -1.28 0.09 0.00 0.00 178.44 177.77 1yeu h SER 84 N 0.00 0.94 -0.38 -0.43 0.87 -1.05 -1.60 113.55 111.91 1yeu h SER 84 Ca -0.02 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1yeu h SER 84 Cb 1.45 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1yeu h SER 84 CO 0.07 1.08 0.11 0.44 -0.53 0.00 0.00 176.83 177.99 1yeu h ASP 85 N 0.80 0.57 -0.46 6.23 5.19 -1.42 -1.22 116.42 126.12 1yeu h ASP 85 Ca 0.13 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1yeu h ASP 85 Cb 0.65 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1yeu h ASP 85 CO 0.04 0.64 0.30 0.25 -3.12 0.00 0.00 179.24 177.35 1yeu h LEU 86 N 0.47 0.53 0.04 1.55 5.85 -1.43 -0.09 115.31 122.23 1yeu h LEU 86 Ca 0.12 -0.02 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 1yeu h LEU 86 Cb 0.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1yeu h LEU 86 CO -0.00 0.39 -1.10 0.45 -0.34 0.00 0.00 178.44 177.85 1yeu h HIS 87 N 0.62 0.14 0.00 1.25 3.86 -1.24 0.14 115.15 119.92 1yeu h HIS 87 Ca 0.17 -0.10 -0.20 0.00 -1.16 0.00 0.00 60.37 59.07 1yeu h HIS 87 Cb -0.06 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1yeu h HIS 87 CO -0.04 1.08 -1.77 0.00 0.86 0.00 0.00 177.93 178.06 1yeu n ALA 88 N -2.41 1.92 -0.02 2.45 0.00 -0.47 -1.74 120.51 120.25 1yeu n ALA 88 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 1yeu n ALA 88 Cb 0.97 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 1yeu n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeu n HIS 89 N -2.77 0.00 -0.07 0.00 8.25 -0.06 -4.40 115.22 116.18 1yeu n HIS 89 Ca -0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.25 1yeu n HIS 89 Cb 0.90 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 1yeu n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yeu h LYS 90 N -0.06 0.00 0.00 -0.41 3.64 -1.40 -3.40 116.57 114.95 1yeu h LYS 90 Ca -0.11 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1yeu h LYS 90 Cb 1.14 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1yeu h LYS 90 CO -0.04 0.19 -0.73 -0.07 -2.27 0.00 0.00 179.45 176.54 1yeu h LEU 91 N -1.00 0.00 -3.36 5.20 3.38 -0.94 -3.49 115.31 115.10 1yeu h LEU 91 Ca -0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.58 1yeu h LEU 91 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1yeu h LEU 91 CO -0.02 0.73 -0.79 0.54 0.09 0.00 0.00 178.44 178.99 1yeu n ARG 92 N -3.54 -1.48 -3.23 1.13 1.74 -0.94 -4.93 116.66 105.41 1yeu n ARG 92 Ca -0.00 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.64 1yeu n ARG 92 Cb 0.74 -3.26 -0.07 0.00 -1.02 0.00 0.00 32.46 28.85 1yeu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yeu s VAL 93 N -2.99 5.08 0.13 1.55 1.01 -0.71 -5.02 120.40 119.44 1yeu s VAL 93 Ca 0.00 0.95 -0.33 0.00 0.00 0.00 0.00 61.98 62.60 1yeu s VAL 93 Cb -0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1yeu s VAL 93 CO 0.86 0.13 1.74 -0.67 0.00 0.00 0.00 175.10 177.15 1yeu n ASP 94 N 5.17 3.68 -0.41 3.32 -0.08 -1.26 -4.87 116.55 122.10 1yeu n ASP 94 Ca -0.04 1.03 0.35 0.00 -1.51 0.00 0.00 54.79 54.62 1yeu n ASP 94 Cb 0.50 -1.49 0.62 0.00 2.34 0.00 0.00 41.12 43.08 1yeu n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yeu h PRO 95 N 7.48 0.08 -1.00 -0.67 0.11 -1.96 -0.92 132.00 135.12 1yeu h PRO 95 Ca -0.45 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.96 1yeu h PRO 95 Cb 1.23 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1yeu h PRO 95 CO 0.93 0.05 0.57 0.28 -0.21 0.00 0.00 178.00 179.63 1yeu h VAL 96 N 0.08 0.34 0.00 3.15 2.07 -2.03 -0.43 116.25 119.42 1yeu h VAL 96 Ca 0.83 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 68.18 1yeu h VAL 96 Cb 2.44 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1yeu h VAL 96 CO -0.54 0.07 -0.21 0.78 0.02 0.00 0.00 177.57 177.69 1yeu h ASN 97 N 0.36 0.00 -0.22 0.57 4.21 -1.52 -2.60 115.58 116.38 1yeu h ASN 97 Ca 0.72 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 58.14 1yeu h ASN 97 Cb 1.60 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.79 1yeu h ASN 97 CO -0.59 0.21 -0.14 -0.26 -1.29 0.00 0.00 177.43 175.36 1yeu h PHE 98 N 0.00 0.68 -0.04 1.19 -1.00 -1.23 -1.93 116.94 114.61 1yeu h PHE 98 Ca -0.00 -0.12 -0.09 0.00 2.81 0.00 0.00 57.97 60.57 1yeu h PHE 98 Cb 0.62 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 1yeu h PHE 98 CO 0.00 0.74 -0.37 0.87 -1.61 0.00 0.00 178.31 177.94 1yeu h LYS 99 N 0.57 0.08 -0.13 1.51 1.57 -1.55 -1.30 116.57 117.31 1yeu h LYS 99 Ca 0.10 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1yeu h LYS 99 Cb 0.58 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 1yeu h LYS 99 CO 0.04 0.44 -0.55 -0.07 -0.57 0.00 0.00 179.45 178.74 1yeu h LEU 100 N 0.07 0.71 -0.34 2.94 3.38 -1.37 -1.45 115.31 119.25 1yeu h LEU 100 Ca 0.01 -0.62 -0.18 0.00 0.09 0.00 0.00 57.88 57.17 1yeu h LEU 100 Cb 0.69 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1yeu h LEU 100 CO 0.05 1.22 -0.53 0.25 0.09 0.00 0.00 178.44 179.52 1yeu h LEU 101 N 0.25 0.94 -0.21 1.67 5.85 -1.32 -2.16 115.31 120.33 1yeu h LEU 101 Ca -0.03 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.23 1yeu h LEU 101 Cb 1.19 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1yeu h LEU 101 CO 0.12 1.29 -0.03 0.28 -0.34 0.00 0.00 178.44 179.75 1yeu h SER 102 N 0.65 -0.14 -0.60 1.25 0.02 -1.24 -0.85 113.55 112.65 1yeu h SER 102 Ca 0.02 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1yeu h SER 102 Cb 1.13 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1yeu h SER 102 CO 0.12 -0.04 0.22 -0.74 -1.14 0.00 0.00 176.83 175.24 1yeu h HIS 103 N 0.03 0.38 0.00 3.45 -0.00 -1.24 -0.82 115.15 116.94 1yeu h HIS 103 Ca 0.10 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1yeu h HIS 103 Cb 0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1yeu h HIS 103 CO -0.20 0.10 -0.33 0.00 -0.00 0.00 0.00 177.93 177.49 1yeu h LEU 105 N 0.00 0.61 -1.12 0.00 5.85 -0.56 -2.30 115.31 117.80 1yeu h LEU 105 Ca -0.00 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.21 1yeu h LEU 105 Cb 0.68 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1yeu h LEU 105 CO 0.04 1.06 0.60 -0.07 -0.34 0.00 0.00 178.44 179.74 1yeu h LEU 106 N 0.19 0.96 -0.93 2.25 3.38 -0.80 -0.48 115.31 119.88 1yeu h LEU 106 Ca 0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1yeu h LEU 106 Cb 0.97 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1yeu h LEU 106 CO 0.08 0.63 -0.09 0.58 0.09 0.00 0.00 178.44 179.74 1yeu h VAL 107 N 1.10 1.25 0.01 1.22 2.07 -0.97 -0.89 116.25 120.03 1yeu h VAL 107 Ca 0.38 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1yeu h VAL 107 Cb 0.12 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1yeu h VAL 107 CO -0.13 0.37 -0.01 0.74 0.02 0.00 0.00 177.57 178.56 1yeu h THR 108 N 0.64 1.35 -0.18 2.57 2.02 -0.73 0.14 112.91 118.71 1yeu h THR 108 Ca 0.12 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1yeu h THR 108 Cb 0.52 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1yeu h THR 108 CO 0.03 0.29 0.11 -0.07 0.37 0.00 0.00 175.52 176.25 1yeu h LEU 109 N -0.50 0.18 -0.89 2.58 3.38 -1.08 0.68 115.31 119.66 1yeu h LEU 109 Ca -0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1yeu h LEU 109 Cb 0.49 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 1yeu h LEU 109 CO 0.00 0.13 0.51 0.00 0.09 0.00 0.00 178.44 179.17 1yeu h ALA 110 N 1.07 1.32 0.00 1.53 0.00 -1.09 0.24 119.26 122.34 1yeu h ALA 110 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1yeu h ALA 110 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1yeu h ALA 110 CO -0.03 0.05 -0.14 0.00 0.00 0.00 0.00 179.25 179.14 1yeu h ALA 111 N 1.52 0.95 0.00 0.00 0.00 -0.12 -3.33 119.26 118.28 1yeu h ALA 111 Ca 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1yeu h ALA 111 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yeu h ALA 111 CO -0.30 0.17 -1.68 0.72 0.00 0.00 0.00 179.25 178.17 1yeu n HIS 112 N -3.19 0.00 -3.18 0.00 -0.00 0.15 -4.72 115.22 104.28 1yeu n HIS 112 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 1yeu n HIS 112 Cb 0.48 -0.35 -0.05 0.00 -0.00 0.00 0.00 29.99 30.07 1yeu n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yeu n LEU 113 N -2.02 2.23 -0.22 2.41 4.77 0.65 -4.96 117.00 119.87 1yeu n LEU 113 Ca -0.02 -5.19 0.03 0.00 -0.03 0.00 0.00 56.01 50.79 1yeu n LEU 113 Cb 0.44 0.07 0.13 0.00 -2.33 0.00 0.00 43.42 41.72 1yeu n LEU 113 CO 0.37 2.20 0.89 -0.65 -1.33 0.00 0.00 177.39 178.86 1yeu h PRO 114 N 3.53 0.19 -0.23 3.23 0.11 -1.80 -2.17 132.00 134.87 1yeu h PRO 114 Ca 0.12 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.10 1yeu h PRO 114 Cb 0.76 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1yeu h PRO 114 CO 0.65 0.13 -0.38 0.00 -0.21 0.00 0.00 178.00 178.18 1yeu h ALA 115 N 1.56 0.91 0.00 -0.75 0.00 -1.93 -3.21 119.26 115.84 1yeu h ALA 115 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yeu h ALA 115 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yeu h ALA 115 CO -0.50 0.63 -0.31 0.93 0.00 0.00 0.00 179.25 180.00 1yeu h GLU 116 N 0.43 0.00 -3.31 0.00 3.07 -1.82 -3.40 114.58 109.54 1yeu h GLU 116 Ca 0.04 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.18 1yeu h GLU 116 Cb 0.86 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.70 1yeu h GLU 116 CO 0.07 0.00 2.89 0.34 -1.40 0.00 0.00 179.01 180.91 1yeu n PHE 117 N -2.75 2.89 -2.06 4.33 7.35 -0.93 -4.79 117.46 121.50 1yeu n PHE 117 Ca 0.03 -2.93 -0.28 0.00 -0.76 0.00 0.00 57.45 53.51 1yeu n PHE 117 Cb 0.51 -2.23 0.06 0.00 0.35 0.00 0.00 39.48 38.17 1yeu n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeu s THR 118 N 1.26 2.93 0.24 -2.13 -4.23 -1.26 -4.79 115.64 107.66 1yeu s THR 118 Ca 0.53 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 61.10 1yeu s THR 118 Cb 0.15 -3.27 0.20 0.00 1.34 0.00 0.00 72.50 70.92 1yeu s THR 118 CO -0.06 -0.32 1.80 -0.65 -0.54 0.00 0.00 174.62 174.84 1yeu h PRO 119 N -0.64 0.69 -0.51 3.99 0.11 -1.98 0.11 132.00 133.77 1yeu h PRO 119 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1yeu h PRO 119 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yeu h PRO 119 CO 0.63 0.46 -0.04 0.00 -0.21 0.00 0.00 178.00 178.84 1yeu h ALA 120 N 1.45 0.69 -0.29 -0.75 0.00 -1.96 -0.39 119.26 118.01 1yeu h ALA 120 Ca 0.38 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1yeu h ALA 120 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yeu h ALA 120 CO -0.26 0.54 -0.32 0.28 0.00 0.00 0.00 179.25 179.49 1yeu h VAL 121 N 0.79 1.28 -0.10 0.00 2.07 -1.80 -0.71 116.25 117.77 1yeu h VAL 121 Ca 0.14 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1yeu h VAL 121 Cb 0.57 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1yeu h VAL 121 CO 0.03 0.46 0.03 -0.74 0.02 0.00 0.00 177.57 177.38 1yeu h HIS 122 N 0.53 0.05 -0.23 1.57 6.17 -0.60 0.99 115.15 123.63 1yeu h HIS 122 Ca 0.06 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.17 1yeu h HIS 122 Cb 0.81 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 30.71 1yeu h HIS 122 CO 0.03 0.03 0.08 0.00 0.71 0.00 0.00 177.93 178.78 1yeu h ALA 123 N 1.07 0.26 0.07 5.26 0.00 -0.67 -0.86 119.26 124.38 1yeu h ALA 123 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yeu h ALA 123 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1yeu h ALA 123 CO -0.05 -0.34 -0.06 0.77 0.00 0.00 0.00 179.25 179.56 1yeu h SER 124 N 0.18 -0.17 -0.32 0.00 0.02 -0.68 -1.53 113.55 111.06 1yeu h SER 124 Ca 0.10 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1yeu h SER 124 Cb 0.07 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1yeu h SER 124 CO -0.10 -0.10 0.20 -0.07 -1.14 0.00 0.00 176.83 175.61 1yeu h LEU 125 N -0.15 0.38 -0.28 5.07 3.38 -0.57 0.35 115.31 123.49 1yeu h LEU 125 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1yeu h LEU 125 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yeu h LEU 125 CO -0.02 0.30 -0.09 -0.78 0.09 0.00 0.00 178.44 177.94 1yeu h ASP 126 N 0.45 0.56 -0.12 -0.43 3.58 -0.64 -1.00 116.42 118.82 1yeu h ASP 126 Ca 0.12 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.12 1yeu h ASP 126 Cb -0.02 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1yeu h ASP 126 CO -0.02 0.81 -0.12 0.11 -2.88 0.00 0.00 179.24 177.14 1yeu h LYS 127 N 0.31 0.46 0.01 0.28 1.57 -0.58 -2.05 116.57 116.57 1yeu h LYS 127 Ca 0.07 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1yeu h LYS 127 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1yeu h LYS 127 CO 0.03 0.58 -0.01 0.35 -0.57 0.00 0.00 179.45 179.84 1yeu h PHE 128 N 0.43 -0.01 -0.09 -1.35 3.57 -0.63 -1.04 116.94 117.82 1yeu h PHE 128 Ca 0.08 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1yeu h PHE 128 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1yeu h PHE 128 CO 0.01 0.32 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.23 1yeu h LEU 129 N -0.35 0.12 -0.55 0.59 3.38 -1.12 -1.56 115.31 115.83 1yeu h LEU 129 Ca -0.00 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1yeu h LEU 129 Cb 0.34 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1yeu h LEU 129 CO 0.00 0.26 -0.59 0.00 0.09 0.00 0.00 178.44 178.20 1yeu h ALA 130 N 1.76 0.74 -0.41 1.53 0.00 -1.18 -1.30 119.26 120.39 1yeu h ALA 130 Ca 0.03 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1yeu h ALA 130 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yeu h ALA 130 CO 0.02 0.71 -0.33 0.77 0.00 0.00 0.00 179.25 180.42 1yeu h SER 131 N 0.31 1.00 -0.64 0.00 0.02 -0.51 -1.01 113.55 112.72 1yeu h SER 131 Ca -0.00 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1yeu h SER 131 Cb 1.13 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1yeu h SER 131 CO 0.10 1.24 0.42 0.58 -1.14 0.00 0.00 176.83 178.03 1yeu h VAL 132 N 0.78 1.14 -0.54 2.27 2.07 -1.15 -1.35 116.25 119.47 1yeu h VAL 132 Ca 0.08 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1yeu h VAL 132 Cb 0.92 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1yeu h VAL 132 CO 0.09 0.15 0.31 0.28 0.02 0.00 0.00 177.57 178.42 1yeu h SER 133 N 0.84 0.67 -0.37 0.57 0.02 -1.11 0.63 113.55 114.80 1yeu h SER 133 Ca 0.24 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1yeu h SER 133 Cb -0.06 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 1yeu h SER 133 CO -0.07 0.56 0.16 0.74 -1.14 0.00 0.00 176.83 177.08 1yeu h THR 134 N 0.73 0.94 -0.33 -2.27 2.02 -0.55 0.21 112.91 113.66 1yeu h THR 134 Ca 0.19 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1yeu h THR 134 Cb 0.03 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1yeu h THR 134 CO -0.03 0.06 -0.07 0.58 0.37 0.00 0.00 175.52 176.43 1yeu h VAL 135 N 0.33 1.22 0.00 3.16 2.07 -0.95 -0.94 116.25 121.14 1yeu h VAL 135 Ca 0.16 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1yeu h VAL 135 Cb 0.11 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1yeu h VAL 135 CO -0.14 0.31 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1yeu n LEU 136 N -4.23 0.69 -0.28 2.57 4.77 0.19 -3.77 117.00 116.94 1yeu n LEU 136 Ca 0.01 0.58 0.03 0.00 -0.03 0.00 0.00 56.01 56.60 1yeu n LEU 136 Cb 0.29 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1yeu n LEU 136 CO 0.40 -0.20 0.38 0.35 -1.33 0.00 0.00 177.39 176.98 1yeu n THR 137 N -2.16 0.09 -2.44 -5.08 -2.24 -0.03 -3.94 114.28 98.48 1yeu n THR 137 Ca 0.05 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1yeu n THR 137 Cb 0.39 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 1yeu n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1yeu s SER 138 N -0.60 6.42 0.00 3.42 1.04 -0.40 -1.08 113.70 122.50 1yeu s SER 138 Ca 0.08 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1yeu s SER 138 Cb 0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1yeu s SER 138 CO 0.09 -1.40 0.00 0.29 0.98 0.00 0.00 173.24 173.19 1yeu n LYS 139 N 8.06 0.00 -1.68 4.02 5.02 -1.26 -4.99 118.16 127.34 1yeu n LYS 139 Ca 0.15 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.99 1yeu n LYS 139 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 1yeu n LYS 139 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1yeu n TYR 140 N 0.00 2.19 -1.76 2.13 9.36 -0.24 -4.93 117.16 123.90 1yeu n TYR 140 Ca 0.00 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.68 1yeu n TYR 140 Cb 0.00 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.26 1yeu n TYR 140 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62