#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 5.24 0.96 7.52 1.43 -1.26 -5.01 118.68 127.55 1yeu s LEU 2 Ca 0.00 -1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 1yeu s LEU 2 Cb 0.00 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 44.03 1yeu s LEU 2 CO 0.00 -0.84 1.11 -0.94 0.23 0.00 0.00 176.35 175.91 1yeu s SER 3 N 2.78 3.04 0.14 2.29 1.04 -1.26 -4.80 113.70 116.93 1yeu s SER 3 Ca 0.11 1.11 -0.22 0.00 0.48 0.00 0.00 55.95 57.43 1yeu s SER 3 Cb -0.21 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.16 1yeu s SER 3 CO 0.10 -2.86 1.65 -0.65 0.98 0.00 0.00 173.24 172.46 1yeu h PRO 4 N -1.71 -0.21 -0.36 4.02 0.11 -1.99 -0.79 132.00 131.07 1yeu h PRO 4 Ca -0.53 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.64 1yeu h PRO 4 Cb 1.33 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 1yeu h PRO 4 CO 0.59 -0.14 0.12 0.00 -0.21 0.00 0.00 178.00 178.36 1yeu h ALA 5 N 0.83 0.41 -0.77 -0.75 0.00 -1.99 -0.85 119.26 116.14 1yeu h ALA 5 Ca 0.11 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1yeu h ALA 5 Cb 0.39 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1yeu h ALA 5 CO -0.30 -0.27 0.35 -0.44 0.00 0.00 0.00 179.25 178.59 1yeu h ASP 6 N 0.27 0.39 -0.43 0.00 3.32 -1.78 0.52 116.42 118.70 1yeu h ASP 6 Ca 0.16 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 1yeu h ASP 6 Cb 0.14 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1yeu h ASP 6 CO -0.17 0.17 -0.14 0.11 -1.72 0.00 0.00 179.24 177.49 1yeu h LYS 7 N 0.53 0.91 -0.38 3.56 1.57 0.11 -0.15 116.57 122.72 1yeu h LYS 7 Ca 0.41 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1yeu h LYS 7 Cb 0.57 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1yeu h LYS 7 CO -0.36 0.99 0.17 1.15 -0.57 0.00 0.00 179.45 180.83 1yeu h THR 8 N 0.81 1.18 -0.47 -0.16 2.02 -0.09 -0.34 112.91 115.86 1yeu h THR 8 Ca 0.12 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1yeu h THR 8 Cb 0.68 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1yeu h THR 8 CO 0.05 0.19 0.24 0.78 0.37 0.00 0.00 175.52 177.15 1yeu h ASN 9 N 0.47 0.60 -0.37 4.18 -0.26 -0.55 -1.04 115.58 118.61 1yeu h ASN 9 Ca 0.13 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 1yeu h ASN 9 Cb 0.14 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1yeu h ASN 9 CO -0.01 0.54 0.03 0.58 -1.06 0.00 0.00 177.43 177.51 1yeu h VAL 10 N 0.61 1.25 -0.88 2.81 2.07 -0.83 -1.64 116.25 119.64 1yeu h VAL 10 Ca 0.16 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1yeu h VAL 10 Cb 0.09 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1yeu h VAL 10 CO -0.02 0.31 0.55 0.11 0.02 0.00 0.00 177.57 178.54 1yeu h LYS 11 N 0.46 1.00 -0.28 1.57 1.57 -0.90 -0.78 116.57 119.20 1yeu h LYS 11 Ca 0.11 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1yeu h LYS 11 Cb 0.41 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1yeu h LYS 11 CO 0.01 0.66 -0.51 0.00 -0.57 0.00 0.00 179.45 179.04 1yeu h ALA 12 N 1.40 0.56 -0.03 3.86 0.00 -1.09 0.63 119.26 124.59 1yeu h ALA 12 Ca 0.37 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1yeu h ALA 12 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yeu h ALA 12 CO -0.16 0.68 -0.00 0.00 0.00 0.00 0.00 179.25 179.77 1yeu h ALA 13 N 0.79 0.04 -0.55 0.00 0.00 -0.99 -1.68 119.26 116.87 1yeu h ALA 13 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1yeu h ALA 13 Cb 1.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1yeu h ALA 13 CO 0.11 -0.29 -0.04 2.35 0.00 0.00 0.00 179.25 181.39 1yeu h TRP 14 N -0.26 1.07 -0.81 0.00 2.91 -1.15 -1.05 115.95 116.67 1yeu h TRP 14 Ca 0.01 -0.19 0.15 0.00 1.13 0.00 0.00 58.89 59.99 1yeu h TRP 14 Cb 0.34 -0.28 -0.15 0.00 -0.51 0.00 0.00 29.16 28.56 1yeu h TRP 14 CO 0.04 0.97 -0.30 0.78 -1.03 0.00 0.00 178.44 178.90 1yeu h GLY 15 N 0.98 0.25 2.00 2.65 0.00 -0.78 0.25 103.07 108.42 1yeu h GLY 15 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1yeu h GLY 15 CO 0.03 -0.26 0.00 0.28 0.00 0.00 0.00 176.54 176.60 1yeu n LYS 16 N -5.49 0.18 0.14 4.80 4.76 -0.45 -2.84 118.16 119.26 1yeu n LYS 16 Ca 0.09 0.24 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1yeu n LYS 16 Cb 0.40 -1.75 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 1yeu n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1yeu h VAL 17 N 0.00 0.74 0.00 -0.18 2.07 -0.37 -3.47 116.25 115.04 1yeu h VAL 17 Ca 0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1yeu h VAL 17 Cb 0.56 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1yeu h VAL 17 CO 0.00 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1yeu n GLY 18 N -0.23 3.13 0.05 2.17 0.00 -1.00 -2.81 105.19 106.50 1yeu n GLY 18 Ca -0.09 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 11.55 2.39 1.83 4.61 0.00 -1.26 -3.14 120.51 136.48 1yeu n ALA 19 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1yeu n ALA 19 Cb 0.00 -1.44 0.69 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.87 0.02 -0.12 0.00 -0.00 -1.12 -4.39 115.22 107.74 1yeu n HIS 20 Ca 0.06 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.72 57.68 1yeu n HIS 20 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.37 1yeu n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yeu h ALA 21 N 3.93 0.48 -0.10 -1.41 0.00 -1.71 -1.59 119.26 118.86 1yeu h ALA 21 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1yeu h ALA 21 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yeu h ALA 21 CO 0.00 -0.03 -0.03 0.78 0.00 0.00 0.00 179.25 179.98 1yeu h GLY 22 N 0.49 0.07 0.87 0.00 0.00 -1.84 0.00 103.07 102.66 1yeu h GLY 22 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1yeu h GLY 22 CO -0.03 -0.04 0.60 0.83 0.00 0.00 0.00 176.54 177.90 1yeu h GLU 23 N -0.00 1.12 -0.43 4.80 5.08 -1.82 0.03 114.58 123.36 1yeu h GLU 23 Ca 0.05 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1yeu h GLU 23 Cb 0.08 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1yeu h GLU 23 CO -0.11 0.74 0.13 1.88 -1.00 0.00 0.00 179.01 180.66 1yeu h TYR 24 N 1.16 0.70 -0.92 4.33 0.05 -0.99 -0.83 116.97 120.47 1yeu h TYR 24 Ca 0.37 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 59.11 1yeu h TYR 24 Cb 0.02 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 1yeu h TYR 24 CO -0.01 0.64 0.60 0.78 -1.05 0.00 0.00 178.16 179.12 1yeu h GLY 25 N 0.56 1.33 0.91 3.88 0.00 -0.57 0.23 103.07 109.42 1yeu h GLY 25 Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1yeu h GLY 25 CO -0.00 0.40 0.11 0.00 0.00 0.00 0.00 176.54 177.05 1yeu h ALA 26 N 1.37 0.35 -0.09 3.60 0.00 -0.71 -1.57 119.26 122.21 1yeu h ALA 26 Ca 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yeu h ALA 26 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yeu h ALA 26 CO -0.12 -0.06 -0.10 1.49 0.00 0.00 0.00 179.25 180.46 1yeu h GLU 27 N 0.29 0.13 -0.46 0.00 4.81 -0.90 -2.39 114.58 116.07 1yeu h GLU 27 Ca 0.09 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 1yeu h GLU 27 Cb 0.17 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1yeu h GLU 27 CO -0.01 0.25 -0.26 0.00 -0.73 0.00 0.00 179.01 178.26 1yeu h ALA 28 N 1.77 0.65 -0.42 2.92 0.00 -0.08 -0.94 119.26 123.17 1yeu h ALA 28 Ca 0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1yeu h ALA 28 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1yeu h ALA 28 CO 0.02 0.68 -0.11 -0.07 0.00 0.00 0.00 179.25 179.76 1yeu h LEU 29 N 0.84 0.74 -0.28 0.00 3.38 -1.15 -2.29 115.31 116.54 1yeu h LEU 29 Ca 0.10 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1yeu h LEU 29 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1yeu h LEU 29 CO 0.07 0.88 -0.10 -0.08 0.09 0.00 0.00 178.44 179.30 1yeu h GLU 30 N 0.68 0.56 -0.90 1.13 4.81 -1.03 -0.59 114.58 119.23 1yeu h GLU 30 Ca 0.12 -0.23 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1yeu h GLU 30 Cb 0.58 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 1yeu h GLU 30 CO 0.04 0.79 0.58 0.00 -0.73 0.00 0.00 179.01 179.69 1yeu h ARG 31 N 0.31 0.88 -0.01 1.92 3.08 -1.03 -1.75 114.38 117.78 1yeu h ARG 31 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1yeu h ARG 31 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1yeu h ARG 31 CO 0.03 0.58 -0.01 1.98 -1.07 0.00 0.00 179.97 181.49 1yeu h MET 32 N 0.91 0.02 -0.76 0.04 4.05 -1.01 0.11 114.93 118.30 1yeu h MET 32 Ca 0.42 -0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.89 1yeu h MET 32 Cb 0.40 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.15 1yeu h MET 32 CO -0.18 0.54 0.50 0.74 0.23 0.00 0.00 176.91 178.74 1yeu h PHE 33 N -0.50 0.81 0.11 1.39 0.04 -0.85 0.53 116.94 118.47 1yeu h PHE 33 Ca 0.00 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.59 1yeu h PHE 33 Cb 0.54 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 38.43 1yeu h PHE 33 CO 0.11 0.42 -0.95 -0.07 -0.60 0.00 0.00 178.31 177.22 1yeu h LEU 34 N 0.79 0.38 -0.67 1.54 3.38 -1.29 -3.29 115.31 116.15 1yeu h LEU 34 Ca 0.33 -0.91 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 1yeu h LEU 34 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1yeu h LEU 34 CO -0.11 1.43 -0.46 0.28 0.09 0.00 0.00 178.44 179.67 1yeu h SER 35 N -0.44 0.00 -2.23 -0.43 0.02 -0.62 -3.39 113.55 106.46 1yeu h SER 35 Ca -0.19 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.18 1yeu h SER 35 Cb 1.61 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.76 1yeu h SER 35 CO 0.09 0.46 -0.98 0.49 -1.14 0.00 0.00 176.83 175.75 1yeu n PHE 36 N -3.47 0.00 0.30 3.45 3.72 0.17 -4.99 117.46 116.65 1yeu n PHE 36 Ca 0.00 -3.56 0.19 0.00 -0.05 0.00 0.00 57.45 54.03 1yeu n PHE 36 Cb 0.59 -0.15 0.99 0.00 -0.94 0.00 0.00 39.48 39.97 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 4.73 0.00 0.00 -1.08 0.11 -1.74 -1.67 132.00 132.35 1yeu h PRO 37 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 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 -0.05 1.79 -0.21 0.00 0.00 178.00 180.00 1yeu h THR 38 N 0.00 0.87 0.00 -1.15 1.35 -1.91 -1.74 112.91 110.32 1yeu h THR 38 Ca 0.02 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1yeu h THR 38 Cb 0.33 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1yeu h THR 38 CO -0.00 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.03 1yeu h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.63 -2.15 112.91 117.30 1yeu h THR 39 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1yeu h THR 39 Cb 0.11 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1yeu h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1yeu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.42 116.57 118.92 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1yeu h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1yeu h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.57 0.47 112.91 113.00 1yeu h THR 41 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1yeu h THR 41 Cb 0.42 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1yeu h THR 41 CO 0.00 0.00 -0.42 -1.22 -0.25 0.00 0.00 175.52 173.63 1yeu n TYR 42 N -2.89 0.32 -2.68 4.73 4.01 -0.91 -4.42 117.16 115.32 1yeu n TYR 42 Ca -0.03 0.09 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 1yeu n TYR 42 Cb 0.07 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 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 -1.82 3.02 0.13 -0.72 3.01 0.15 -4.87 117.46 116.37 1yeu n PHE 43 Ca 0.05 -3.35 0.00 0.00 1.01 0.00 0.00 57.45 55.16 1yeu n PHE 43 Cb 0.39 -0.25 0.08 0.00 -0.01 0.00 0.00 39.48 39.69 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 2.77 0.00 0.00 -1.08 0.13 -1.77 -2.78 132.00 129.28 1yeu h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1yeu h PRO 44 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1yeu h PRO 44 CO 0.77 0.61 0.00 -2.39 -0.23 0.00 0.00 178.00 176.76 1yeu n HIS 45 N -3.40 0.00 -3.89 1.56 1.44 -1.26 -4.81 115.22 104.86 1yeu n HIS 45 Ca 0.01 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1yeu n HIS 45 Cb 0.72 -0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.72 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 -2.13 3.52 -0.52 -1.40 0.40 -1.05 -5.07 117.98 111.74 1yeu s PHE 46 Ca 0.42 0.30 -0.27 0.00 -0.60 0.00 0.00 56.93 56.78 1yeu s PHE 46 Cb 0.21 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.97 1yeu s PHE 46 CO 0.38 0.59 1.09 0.34 0.70 0.00 0.00 175.22 178.31 1yeu s ASP 47 N -2.40 6.51 -0.35 1.36 -1.08 -1.26 -4.93 116.67 114.52 1yeu s ASP 47 Ca 0.34 0.17 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 1yeu s ASP 47 Cb -0.13 -2.52 0.73 0.00 -1.46 0.00 0.00 42.92 39.55 1yeu s ASP 47 CO 0.26 -1.28 1.83 0.18 0.52 0.00 0.00 175.17 176.67 1yeu n LEU 48 N 7.85 6.23 -4.91 -1.34 4.77 -1.26 -4.54 117.00 123.79 1yeu n LEU 48 Ca 0.08 -3.26 -0.27 0.00 -0.03 0.00 0.00 56.01 52.54 1yeu n LEU 48 Cb 0.49 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1yeu n LEU 48 CO 0.69 0.85 0.37 -0.94 -1.33 0.00 0.00 177.39 177.03 1yeu s SER 49 N -1.03 6.28 -0.07 -1.43 1.04 -1.26 -5.00 113.70 112.23 1yeu s SER 49 Ca 0.55 0.81 -0.37 0.00 0.48 0.00 0.00 55.95 57.42 1yeu s SER 49 Cb 0.44 -2.19 -0.15 0.00 0.10 0.00 0.00 66.02 64.22 1yeu s SER 49 CO 0.13 -0.49 1.60 1.57 0.98 0.00 0.00 173.24 177.02 1yeu n HIS 50 N -2.09 1.92 -0.89 5.02 -0.00 -1.26 -1.67 115.22 116.26 1yeu n HIS 50 Ca -0.01 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.64 1yeu n HIS 50 Cb 0.55 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 1yeu n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yeu n GLY 51 N 3.53 0.81 3.68 1.57 0.00 -1.26 -5.00 105.19 108.52 1yeu n GLY 51 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.73 0.18 1.61 2.88 -0.67 -4.89 113.62 115.47 1yeu n SER 52 Ca 0.00 1.17 0.03 0.00 -1.33 0.00 0.00 58.87 58.74 1yeu n SER 52 Cb 0.00 -1.45 0.33 0.00 -0.75 0.00 0.00 64.21 62.34 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 3.49 1.15 -0.14 -1.46 0.00 -1.91 -1.93 119.26 118.47 1yeu h ALA 53 Ca -0.45 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 1yeu h ALA 53 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1yeu h ALA 53 CO 0.70 0.52 -0.55 0.37 0.00 0.00 0.00 179.25 180.30 1yeu h GLN 54 N 0.00 0.41 -0.09 0.00 4.15 -1.90 -0.53 115.11 117.15 1yeu h GLN 54 Ca -0.00 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.08 1yeu h GLN 54 Cb 0.82 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1yeu h GLN 54 CO 0.05 0.85 -0.26 0.28 -1.93 0.00 0.00 178.83 177.83 1yeu h VAL 55 N 0.32 1.40 -0.60 2.39 2.07 -1.71 -1.43 116.25 118.69 1yeu h VAL 55 Ca 0.01 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.02 1yeu h VAL 55 Cb 1.06 2.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 1yeu h VAL 55 CO 0.09 0.46 0.25 0.11 0.02 0.00 0.00 177.57 178.50 1yeu h LYS 56 N -0.11 0.44 -0.53 1.57 1.79 -1.35 0.29 116.57 118.67 1yeu h LYS 56 Ca -0.01 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1yeu h LYS 56 Cb 0.88 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 1yeu h LYS 56 CO 0.06 0.29 0.03 0.78 -1.08 0.00 0.00 179.45 179.52 1yeu h GLY 57 N 0.45 0.94 1.43 3.86 0.00 -1.04 -2.20 103.07 106.51 1yeu h GLY 57 Ca 0.29 -0.63 -0.28 0.00 0.00 0.00 0.00 47.33 46.72 1yeu h GLY 57 CO -0.27 0.58 -1.18 0.84 0.00 0.00 0.00 176.54 176.51 1yeu h HIS 58 N 0.81 0.76 -0.83 5.60 -0.00 -0.76 -2.94 115.15 117.80 1yeu h HIS 58 Ca 0.16 -0.49 0.05 0.00 -0.00 0.00 0.00 60.37 60.09 1yeu h HIS 58 Cb 0.45 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 1yeu h HIS 58 CO 0.03 1.34 0.54 0.78 -0.00 0.00 0.00 177.93 180.62 1yeu h GLY 59 N 0.89 1.17 0.98 5.26 0.00 -0.19 -0.76 103.07 110.42 1yeu h GLY 59 Ca -0.15 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.74 1yeu h GLY 59 CO 0.21 0.30 0.08 1.70 0.00 0.00 0.00 176.54 178.83 1yeu h LYS 60 N 0.96 0.82 -0.21 4.80 3.64 -1.25 -1.49 116.57 123.84 1yeu h LYS 60 Ca 0.34 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1yeu h LYS 60 Cb 0.14 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1yeu h LYS 60 CO -0.11 0.82 -0.36 0.87 -2.27 0.00 0.00 179.45 178.40 1yeu h LYS 61 N 0.70 0.45 -0.61 1.90 1.57 -1.19 -0.29 116.57 119.10 1yeu h LYS 61 Ca 0.15 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1yeu h LYS 61 Cb 0.40 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1yeu h LYS 61 CO 0.01 0.75 -0.02 0.28 -0.57 0.00 0.00 179.45 179.90 1yeu h VAL 62 N 0.38 1.27 -0.18 0.50 2.07 -0.96 -2.25 116.25 117.08 1yeu h VAL 62 Ca 0.04 -1.18 -0.15 0.00 0.82 0.00 0.00 66.70 66.24 1yeu h VAL 62 Cb 0.81 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1yeu h VAL 62 CO 0.07 0.43 -0.50 0.00 0.02 0.00 0.00 177.57 177.58 1yeu h ALA 63 N 0.98 0.80 -0.44 1.67 0.00 -0.95 -2.46 119.26 118.86 1yeu h ALA 63 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1yeu h ALA 63 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1yeu h ALA 63 CO 0.03 0.67 0.04 -0.44 0.00 0.00 0.00 179.25 179.55 1yeu h ASP 64 N 0.39 0.73 -0.92 0.00 3.32 -0.87 -0.50 116.42 118.57 1yeu h ASP 64 Ca 0.02 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.84 1yeu h ASP 64 Cb 1.01 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 1yeu h ASP 64 CO 0.09 0.83 0.60 0.00 -1.72 0.00 0.00 179.24 179.05 1yeu h ALA 65 N 0.93 1.48 -0.40 3.45 0.00 -1.33 -1.00 119.26 122.38 1yeu h ALA 65 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1yeu h ALA 65 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yeu h ALA 65 CO 0.02 0.40 -0.36 -0.07 0.00 0.00 0.00 179.25 179.23 1yeu h LEU 66 N 1.08 1.01 -0.86 0.00 3.38 -0.90 -1.22 115.31 117.80 1yeu h LEU 66 Ca 0.39 -0.45 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1yeu h LEU 66 Cb 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1yeu h LEU 66 CO -0.14 1.25 0.54 0.74 0.09 0.00 0.00 178.44 180.91 1yeu h THR 67 N 0.78 1.05 -0.45 0.22 2.02 -0.88 -0.54 112.91 115.11 1yeu h THR 67 Ca 0.07 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 1yeu h THR 67 Cb 0.95 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1yeu h THR 67 CO 0.09 0.18 -0.20 -1.13 0.37 0.00 0.00 175.52 174.83 1yeu h ASN 68 N 0.98 0.91 -0.52 4.18 -1.24 -1.03 -0.25 115.58 118.61 1yeu h ASN 68 Ca 0.37 -0.33 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1yeu h ASN 68 Cb 0.15 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1yeu h ASN 68 CO -0.17 1.08 0.32 0.00 -1.29 0.00 0.00 177.43 177.37 1yeu h ALA 69 N 0.98 0.67 -0.58 1.57 0.00 -0.80 -1.71 119.26 119.39 1yeu h ALA 69 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1yeu h ALA 69 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1yeu h ALA 69 CO 0.06 0.15 0.07 0.28 0.00 0.00 0.00 179.25 179.81 1yeu h VAL 70 N 0.70 1.26 -0.28 0.00 2.07 -0.81 -1.40 116.25 117.79 1yeu h VAL 70 Ca 0.19 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.76 1yeu h VAL 70 Cb -0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1yeu h VAL 70 CO -0.04 0.38 0.23 0.00 0.02 0.00 0.00 177.57 178.17 1yeu h ALA 71 N 1.00 2.11 -0.95 1.67 0.00 -0.80 -2.66 119.26 119.63 1yeu h ALA 71 Ca 0.17 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.54 1yeu h ALA 71 Cb 0.46 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.85 1yeu h ALA 71 CO 0.02 -0.38 -0.83 0.72 0.00 0.00 0.00 179.25 178.77 1yeu n HIS 72 N -4.16 2.76 0.02 0.00 8.25 -0.67 -4.86 115.22 116.56 1yeu n HIS 72 Ca 0.04 -2.49 0.22 0.00 -0.26 0.00 0.00 57.72 55.23 1yeu n HIS 72 Cb 0.39 -0.26 0.73 0.00 1.12 0.00 0.00 29.99 31.97 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 2.60 0.47 -0.07 1.59 3.04 -0.90 -0.65 116.25 122.33 1yeu h VAL 73 Ca 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1yeu h VAL 73 Cb 1.33 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1yeu h VAL 73 CO 0.73 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.76 1yeu n ASP 74 N -3.94 1.51 -2.74 3.17 8.00 -1.26 -4.25 116.55 117.03 1yeu n ASP 74 Ca 0.10 -1.56 -0.00 0.00 0.71 0.00 0.00 54.79 54.03 1yeu n ASP 74 Cb 0.69 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.82 1yeu n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yeu n ASP 75 N 0.19 0.78 -0.31 -2.24 2.03 -0.28 -4.99 116.55 111.74 1yeu n ASP 75 Ca 0.18 -2.07 0.01 0.00 0.52 0.00 0.00 54.79 53.43 1yeu n ASP 75 Cb 0.34 -0.18 0.14 0.00 -0.72 0.00 0.00 41.12 40.70 1yeu n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yeu h MET 76 N 2.14 0.92 -0.14 -0.67 2.86 -1.66 -1.40 114.93 116.98 1yeu h MET 76 Ca -0.22 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1yeu h MET 76 Cb 1.30 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 1yeu h MET 76 CO 0.08 0.61 0.11 -1.35 1.06 0.00 0.00 176.91 177.43 1yeu h PRO 77 N 0.95 0.00 0.02 -0.22 0.11 -1.94 -0.20 132.00 130.72 1yeu h PRO 77 Ca 0.38 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.14 1yeu h PRO 77 Cb 0.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 1yeu h PRO 77 CO -0.18 0.00 -2.10 0.09 -0.21 0.00 0.00 178.00 175.60 1yeu n ASN 78 N -4.29 0.83 0.21 -2.05 3.02 -0.77 -3.69 115.26 108.53 1yeu n ASN 78 Ca 0.00 0.16 0.08 0.00 -0.03 0.00 0.00 54.58 54.79 1yeu n ASN 78 Cb 0.24 0.20 0.44 0.00 -0.61 0.00 0.00 39.78 40.05 1yeu n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yeu h ALA 79 N 0.76 1.07 -0.54 5.41 0.00 -0.93 -2.94 119.26 122.09 1yeu h ALA 79 Ca -0.44 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1yeu h ALA 79 Cb 2.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1yeu h ALA 79 CO 0.04 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1yeu n LEU 80 N -3.54 3.76 -0.14 0.00 4.77 -0.12 -4.71 117.00 117.03 1yeu n LEU 80 Ca -0.00 -2.17 -0.07 0.00 -0.03 0.00 0.00 56.01 53.74 1yeu n LEU 80 Cb 0.44 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1yeu n LEU 80 CO 0.35 0.84 0.65 -1.28 -1.33 0.00 0.00 177.39 176.62 1yeu h SER 81 N 3.26 -1.03 -0.98 -1.43 0.87 -1.59 0.15 113.55 112.80 1yeu h SER 81 Ca 0.00 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1yeu h SER 81 Cb 1.03 0.50 -0.06 0.00 -0.44 0.00 0.00 62.40 63.43 1yeu h SER 81 CO 0.07 -0.30 0.64 0.00 -0.53 0.00 0.00 176.83 176.70 1yeu h ALA 82 N 0.88 1.38 -0.07 6.23 0.00 -1.84 -2.48 119.26 123.36 1yeu h ALA 82 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1yeu h ALA 82 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yeu h ALA 82 CO -0.56 0.50 -0.60 -0.07 0.00 0.00 0.00 179.25 178.53 1yeu h LEU 83 N 1.21 0.28 0.07 0.00 3.38 -1.11 -2.61 115.31 116.52 1yeu h LEU 83 Ca 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1yeu h LEU 83 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yeu h LEU 83 CO -0.13 0.81 -0.03 -1.28 0.09 0.00 0.00 178.44 177.89 1yeu h SER 84 N 0.18 -0.08 -0.88 -0.43 0.87 -0.91 -1.57 113.55 110.75 1yeu h SER 84 Ca -0.01 -0.12 0.10 0.00 -1.23 0.00 0.00 61.79 60.53 1yeu h SER 84 Cb 1.10 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.00 1yeu h SER 84 CO 0.09 0.08 0.52 0.44 -0.53 0.00 0.00 176.83 177.43 1yeu h ASP 85 N -0.23 0.75 -0.16 6.23 3.32 -1.37 -1.25 116.42 123.72 1yeu h ASP 85 Ca -0.01 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1yeu h ASP 85 Cb 0.20 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1yeu h ASP 85 CO 0.02 0.42 0.03 0.25 -1.72 0.00 0.00 179.24 178.24 1yeu h LEU 86 N 0.86 0.25 -0.07 1.55 6.46 -1.23 0.12 115.31 123.24 1yeu h LEU 86 Ca 0.42 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 1yeu h LEU 86 Cb 0.39 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1yeu h LEU 86 CO -0.25 0.42 -0.34 0.45 -0.62 0.00 0.00 178.44 178.10 1yeu h HIS 87 N 0.06 0.49 0.08 1.25 3.86 -1.14 0.26 115.15 120.01 1yeu h HIS 87 Ca 0.05 -0.21 -0.13 0.00 -1.16 0.00 0.00 60.37 58.92 1yeu h HIS 87 Cb 0.28 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.68 1yeu h HIS 87 CO 0.01 0.96 -0.55 0.00 0.86 0.00 0.00 177.93 179.21 1yeu h ALA 88 N 0.43 -0.04 0.01 2.45 0.00 -1.31 0.29 119.26 121.09 1yeu h ALA 88 Ca -0.02 -0.61 -0.39 0.00 0.00 0.00 0.00 54.91 53.89 1yeu h ALA 88 Cb 0.99 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1yeu h ALA 88 CO 0.07 0.26 -2.43 0.72 0.00 0.00 0.00 179.25 177.87 1yeu n HIS 89 N -4.28 0.12 0.02 0.00 8.25 -0.02 -3.47 115.22 115.84 1yeu n HIS 89 Ca -0.12 0.03 -0.19 0.00 -0.26 0.00 0.00 57.72 57.17 1yeu n HIS 89 Cb 0.70 -1.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.65 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 0.01 0.24 0.01 -0.41 3.64 -1.23 -3.39 116.57 115.43 1yeu h LYS 90 Ca -0.56 -0.41 -0.34 0.00 -1.27 0.00 0.00 60.65 58.07 1yeu h LYS 90 Cb 1.92 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 33.83 1yeu h LYS 90 CO -0.07 1.19 -2.08 1.28 -2.27 0.00 0.00 179.45 177.50 1yeu n LEU 91 N -4.18 0.62 -3.46 5.20 4.77 0.90 -5.01 117.00 115.83 1yeu n LEU 91 Ca -0.15 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 1yeu n LEU 91 Cb 0.78 0.23 0.09 0.00 -2.33 0.00 0.00 43.42 42.18 1yeu n LEU 91 CO 0.45 0.49 0.15 0.54 -1.33 0.00 0.00 177.39 177.68 1yeu n ARG 92 N -2.93 -6.99 -2.34 3.23 5.12 0.92 -4.92 116.66 108.74 1yeu n ARG 92 Ca -0.27 0.84 -0.43 0.00 -1.93 0.00 0.00 57.85 56.06 1yeu n ARG 92 Cb 1.10 -5.85 -0.02 0.00 -1.16 0.00 0.00 32.46 26.53 1yeu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yeu s VAL 93 N -3.34 4.07 0.20 1.55 1.01 -0.62 -4.97 120.40 118.30 1yeu s VAL 93 Ca 0.18 1.25 -0.33 0.00 0.00 0.00 0.00 61.98 63.08 1yeu s VAL 93 Cb -0.08 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 1yeu s VAL 93 CO 0.72 -0.31 1.49 -0.67 0.00 0.00 0.00 175.10 176.33 1yeu n ASP 94 N 7.42 2.89 0.16 3.32 -0.08 -1.26 -4.87 116.55 124.13 1yeu n ASP 94 Ca 0.15 1.11 0.19 0.00 -1.51 0.00 0.00 54.79 54.73 1yeu n ASP 94 Cb 0.46 -1.42 0.74 0.00 2.34 0.00 0.00 41.12 43.23 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 5.03 0.00 0.00 -0.67 0.11 -1.95 -2.11 132.00 132.40 1yeu h PRO 95 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1yeu h PRO 95 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1yeu h PRO 95 CO 0.82 0.00 -0.13 -0.39 -0.21 0.00 0.00 178.00 178.09 1yeu h VAL 96 N 0.00 1.04 -0.24 3.15 -1.51 -2.02 -1.93 116.25 114.74 1yeu h VAL 96 Ca 0.14 -0.46 -0.09 0.00 -1.23 0.00 0.00 66.70 65.06 1yeu h VAL 96 Cb 1.06 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.46 1yeu h VAL 96 CO -0.00 0.13 -0.23 0.78 -1.23 0.00 0.00 177.57 177.02 1yeu h ASN 97 N 0.00 0.44 -0.61 4.19 4.21 -1.74 -1.69 115.58 120.38 1yeu h ASN 97 Ca -0.00 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.38 1yeu h ASN 97 Cb 0.24 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 1yeu h ASN 97 CO 0.02 0.68 0.41 -0.26 -1.29 0.00 0.00 177.43 176.98 1yeu h PHE 98 N 0.40 0.76 -0.37 1.19 -1.00 -1.52 -1.21 116.94 115.19 1yeu h PHE 98 Ca 0.06 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1yeu h PHE 98 Cb 0.62 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1yeu h PHE 98 CO 0.02 0.47 0.05 0.87 -1.61 0.00 0.00 178.31 178.10 1yeu h LYS 99 N 0.81 0.56 -0.07 1.51 1.57 -1.34 -0.49 116.57 119.13 1yeu h LYS 99 Ca 0.23 -0.11 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 1yeu h LYS 99 Cb -0.06 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.17 1yeu h LYS 99 CO -0.05 0.55 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.45 1yeu h LEU 100 N 0.55 0.73 -0.34 2.94 3.38 -1.08 -1.23 115.31 120.25 1yeu h LEU 100 Ca 0.12 -0.52 -0.19 0.00 0.09 0.00 0.00 57.88 57.38 1yeu h LEU 100 Cb 0.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1yeu h LEU 100 CO 0.00 1.31 -0.66 0.25 0.09 0.00 0.00 178.44 179.43 1yeu h LEU 101 N 0.37 0.76 -0.63 1.67 5.85 -1.03 -1.55 115.31 120.75 1yeu h LEU 101 Ca -0.07 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 1yeu h LEU 101 Cb 1.48 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1yeu h LEU 101 CO 0.16 1.22 0.27 0.28 -0.34 0.00 0.00 178.44 180.03 1yeu h SER 102 N 0.48 0.85 -0.53 1.25 0.02 -1.04 -0.50 113.55 114.08 1yeu h SER 102 Ca -0.02 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1yeu h SER 102 Cb 1.25 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1yeu h SER 102 CO 0.13 0.77 0.24 -0.74 -1.14 0.00 0.00 176.83 176.10 1yeu h HIS 103 N 0.88 0.78 -0.44 3.45 -0.00 -1.02 -1.83 115.15 116.96 1yeu h HIS 103 Ca 0.21 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.48 1yeu h HIS 103 Cb 0.17 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1yeu h HIS 103 CO 0.01 0.62 0.02 0.00 -0.00 0.00 0.00 177.93 178.57 1yeu h LEU 105 N 0.67 1.02 -0.93 0.00 3.38 -0.92 -0.88 115.31 117.64 1yeu h LEU 105 Ca 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1yeu h LEU 105 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1yeu h LEU 105 CO 0.01 0.99 0.22 -0.07 0.09 0.00 0.00 178.44 179.68 1yeu h LEU 106 N 1.01 0.93 -0.66 1.67 3.38 -0.66 -0.49 115.31 120.48 1yeu h LEU 106 Ca 0.21 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1yeu h LEU 106 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1yeu h LEU 106 CO 0.00 0.86 0.13 0.58 0.09 0.00 0.00 178.44 180.10 1yeu h VAL 107 N 0.97 1.26 -0.42 1.22 2.07 -0.98 -0.63 116.25 119.75 1yeu h VAL 107 Ca 0.22 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1yeu h VAL 107 Cb 0.25 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1yeu h VAL 107 CO -0.01 0.38 0.14 0.74 0.02 0.00 0.00 177.57 178.84 1yeu h THR 108 N 1.01 1.21 -0.28 2.57 2.02 -0.52 -0.45 112.91 118.47 1yeu h THR 108 Ca 0.20 -0.69 -0.15 0.00 0.77 0.00 0.00 66.41 66.54 1yeu h THR 108 Cb 0.41 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1yeu h THR 108 CO 0.01 0.25 -0.42 -0.07 0.37 0.00 0.00 175.52 175.66 1yeu h LEU 109 N 0.53 0.74 -0.43 2.58 3.38 -1.01 -2.29 115.31 118.82 1yeu h LEU 109 Ca 0.14 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1yeu h LEU 109 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1yeu h LEU 109 CO -0.01 1.06 0.25 0.00 0.09 0.00 0.00 178.44 179.84 1yeu h ALA 110 N 0.97 0.55 0.00 1.53 0.00 -0.87 0.27 119.26 121.71 1yeu h ALA 110 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yeu h ALA 110 Cb 0.95 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1yeu h ALA 110 CO 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1yeu h ALA 111 N 1.11 1.02 0.00 0.00 0.00 -0.78 -3.28 119.26 117.33 1yeu h ALA 111 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yeu h ALA 111 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yeu h ALA 111 CO -0.03 0.03 -1.21 0.72 0.00 0.00 0.00 179.25 178.76 1yeu n HIS 112 N -3.15 0.00 -3.10 0.00 -0.00 -0.87 -4.78 115.22 103.31 1yeu n HIS 112 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.47 1yeu n HIS 112 Cb 0.25 -0.18 -0.05 0.00 -0.00 0.00 0.00 29.99 30.02 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 -1.70 3.07 -0.18 2.41 4.32 0.90 -4.96 117.00 120.86 1yeu n LEU 113 Ca -0.01 -5.39 -0.02 0.00 -0.02 0.00 0.00 56.01 50.57 1yeu n LEU 113 Cb 0.25 -0.15 0.04 0.00 -1.62 0.00 0.00 43.42 41.95 1yeu n LEU 113 CO 0.23 2.27 0.75 -0.65 -1.22 0.00 0.00 177.39 178.77 1yeu h PRO 114 N 3.26 -0.01 0.00 3.23 0.11 -1.80 -2.16 132.00 134.63 1yeu h PRO 114 Ca 0.13 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1yeu h PRO 114 Cb 0.68 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1yeu h PRO 114 CO 0.71 -0.01 -0.61 0.00 -0.21 0.00 0.00 178.00 177.89 1yeu h ALA 115 N 1.52 0.74 0.00 -0.75 0.00 -1.94 -3.30 119.26 115.54 1yeu h ALA 115 Ca 0.26 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1yeu h ALA 115 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yeu h ALA 115 CO -0.56 0.76 -1.19 -0.85 0.00 0.00 0.00 179.25 177.40 1yeu n GLU 116 N -3.45 0.62 -1.58 0.00 0.00 -0.98 -4.55 120.64 110.69 1yeu n GLU 116 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.84 1yeu n GLU 116 Cb 0.70 -1.78 -0.02 0.00 0.00 0.00 0.00 31.44 30.34 1yeu n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yeu n PHE 117 N -2.62 2.54 -1.51 -1.84 7.35 -0.85 -4.78 117.46 115.75 1yeu n PHE 117 Ca -0.01 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1yeu n PHE 117 Cb 0.57 -2.26 0.16 0.00 0.35 0.00 0.00 39.48 38.30 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 1.03 1.94 0.11 -2.13 -4.23 -1.26 -4.77 115.64 106.33 1yeu s THR 118 Ca 0.63 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.83 1yeu s THR 118 Cb 0.18 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.18 1yeu s THR 118 CO -0.07 0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 174.95 1yeu h PRO 119 N -1.70 -0.63 -0.89 3.99 0.11 -1.99 -1.05 132.00 129.84 1yeu h PRO 119 Ca -0.49 0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.84 1yeu h PRO 119 Cb 1.31 0.14 -0.11 0.00 0.11 0.00 0.00 31.00 32.46 1yeu h PRO 119 CO 0.54 -0.42 0.45 0.00 -0.21 0.00 0.00 178.00 178.37 1yeu h ALA 120 N -0.16 1.41 -0.11 -0.75 0.00 -1.96 -0.64 119.26 117.04 1yeu h ALA 120 Ca 0.02 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 1yeu h ALA 120 Cb 0.67 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1yeu h ALA 120 CO -0.24 -0.18 -0.81 0.28 0.00 0.00 0.00 179.25 178.31 1yeu h VAL 121 N 0.57 1.31 -0.39 0.00 2.07 -1.83 -2.48 116.25 115.50 1yeu h VAL 121 Ca 0.52 -2.07 0.04 0.00 0.82 0.00 0.00 66.70 66.01 1yeu h VAL 121 Cb 0.85 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 1yeu h VAL 121 CO -0.43 0.64 0.16 -0.74 0.02 0.00 0.00 177.57 177.23 1yeu h HIS 122 N 0.44 0.29 -0.69 1.57 6.17 -0.65 0.46 115.15 122.75 1yeu h HIS 122 Ca -0.06 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.00 1yeu h HIS 122 Cb 1.42 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 31.25 1yeu h HIS 122 CO 0.08 0.14 0.25 0.00 0.71 0.00 0.00 177.93 179.10 1yeu h ALA 123 N 1.23 1.15 -0.25 5.26 0.00 -1.04 -1.83 119.26 123.77 1yeu h ALA 123 Ca 0.17 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1yeu h ALA 123 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yeu h ALA 123 CO -0.15 0.60 0.05 0.77 0.00 0.00 0.00 179.25 180.52 1yeu h SER 124 N 1.00 0.39 -0.80 0.00 0.02 -0.87 -0.83 113.55 112.46 1yeu h SER 124 Ca 0.23 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1yeu h SER 124 Cb 0.22 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1yeu h SER 124 CO -0.02 0.53 0.37 -0.07 -1.14 0.00 0.00 176.83 176.50 1yeu h LEU 125 N 0.23 1.06 -0.59 5.07 3.38 -0.85 0.25 115.31 123.86 1yeu h LEU 125 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1yeu h LEU 125 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1yeu h LEU 125 CO 0.00 0.91 0.33 -0.78 0.09 0.00 0.00 178.44 179.00 1yeu h ASP 126 N 1.14 0.73 -0.55 -0.43 3.58 -1.20 -0.34 116.42 119.34 1yeu h ASP 126 Ca 0.27 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.59 1yeu h ASP 126 Cb 0.15 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1yeu h ASP 126 CO -0.03 0.60 0.16 0.11 -2.88 0.00 0.00 179.24 177.21 1yeu h LYS 127 N 0.80 0.87 -0.69 0.28 1.57 -0.34 -2.32 116.57 116.73 1yeu h LYS 127 Ca 0.21 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yeu h LYS 127 Cb 0.03 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1yeu h LYS 127 CO -0.04 0.79 0.45 0.35 -0.57 0.00 0.00 179.45 180.44 1yeu h PHE 128 N 0.78 0.88 -0.13 -1.35 3.57 -0.23 -2.00 116.94 118.46 1yeu h PHE 128 Ca 0.18 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1yeu h PHE 128 Cb 0.30 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1yeu h PHE 128 CO 0.02 0.57 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.18 1yeu h LEU 129 N 0.94 0.30 -0.78 0.59 3.38 -0.79 -0.39 115.31 118.57 1yeu h LEU 129 Ca 0.25 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1yeu h LEU 129 Cb -0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1yeu h LEU 129 CO -0.05 0.69 -0.07 0.00 0.09 0.00 0.00 178.44 179.10 1yeu h ALA 130 N 1.33 0.97 -0.24 1.53 0.00 -1.19 0.89 119.26 122.55 1yeu h ALA 130 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1yeu h ALA 130 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1yeu h ALA 130 CO 0.07 0.62 -0.09 0.77 0.00 0.00 0.00 179.25 180.61 1yeu h SER 131 N 0.78 0.49 -0.71 0.00 0.02 -0.55 0.74 113.55 114.33 1yeu h SER 131 Ca 0.14 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1yeu h SER 131 Cb 0.56 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1yeu h SER 131 CO 0.03 0.77 0.32 0.58 -1.14 0.00 0.00 176.83 177.40 1yeu h VAL 132 N 0.21 1.24 -0.47 2.27 2.07 -0.95 -1.33 116.25 119.29 1yeu h VAL 132 Ca 0.06 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1yeu h VAL 132 Cb 0.58 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1yeu h VAL 132 CO 0.03 0.29 0.15 0.28 0.02 0.00 0.00 177.57 178.34 1yeu h SER 133 N 1.04 0.69 -0.98 0.57 0.02 -0.36 -1.82 113.55 112.71 1yeu h SER 133 Ca 0.25 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1yeu h SER 133 Cb 0.15 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1yeu h SER 133 CO -0.03 0.71 0.65 0.74 -1.14 0.00 0.00 176.83 177.77 1yeu h THR 134 N 0.63 1.25 -0.53 -2.27 2.02 -0.63 -2.25 112.91 111.12 1yeu h THR 134 Ca 0.15 -0.45 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 1yeu h THR 134 Cb 0.27 -0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1yeu h THR 134 CO -0.00 0.24 -0.12 0.58 0.37 0.00 0.00 175.52 176.59 1yeu h VAL 135 N 1.32 1.27 0.00 3.16 2.07 -0.91 -2.47 116.25 120.69 1yeu h VAL 135 Ca 0.36 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1yeu h VAL 135 Cb -0.14 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1yeu h VAL 135 CO -0.08 0.45 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1yeu n LEU 136 N -4.14 0.00 0.00 2.57 4.77 -0.71 -3.54 117.00 115.94 1yeu n LEU 136 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1yeu n LEU 136 Cb 0.41 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1yeu n LEU 136 CO 0.45 -0.04 0.05 1.07 -1.33 0.00 0.00 177.39 177.59 1yeu n THR 137 N -1.33 0.00 0.30 -5.08 5.66 -0.88 -3.89 114.28 109.05 1yeu n THR 137 Ca 0.11 -0.44 0.17 0.00 -3.05 0.00 0.00 64.05 60.84 1yeu n THR 137 Cb 0.23 1.03 0.72 0.00 -1.55 0.00 0.00 70.33 70.76 1yeu n THR 137 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1yeu h SER 138 N 0.00 0.00 -1.39 1.09 4.64 -1.49 -2.52 113.55 113.88 1yeu h SER 138 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1yeu h SER 138 Cb 0.02 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.79 1yeu h SER 138 CO 0.00 0.00 0.59 0.29 -0.87 0.00 0.00 176.83 176.84 1yeu n LYS 139 N -2.93 2.90 -5.14 4.77 5.02 -1.26 -5.04 118.16 116.47 1yeu n LYS 139 Ca 0.00 -3.60 -0.32 0.00 -2.02 0.00 0.00 58.31 52.38 1yeu n LYS 139 Cb 0.26 -2.28 -0.15 0.00 -0.02 0.00 0.00 35.03 32.84 1yeu n LYS 139 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1yeu s TYR 140 N -3.87 2.46 0.00 2.13 5.04 -0.95 -4.63 117.35 117.54 1yeu s TYR 140 Ca 0.57 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1yeu s TYR 140 Cb 0.46 -1.54 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1yeu s TYR 140 CO -0.17 0.05 0.00 0.54 -1.34 0.00 0.00 175.55 174.63