#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hab n LEU 2 N 0.00 -5.70 -4.59 6.55 4.32 -1.26 -4.96 117.00 111.35 1hab n LEU 2 Ca 0.00 -0.46 -0.29 0.00 -0.02 0.00 0.00 56.01 55.23 1hab n LEU 2 Cb 0.00 -3.04 0.20 0.00 -1.62 0.00 0.00 43.42 38.96 1hab n LEU 2 CO 0.00 -0.27 0.60 -0.94 -1.22 0.00 0.00 177.39 175.56 1hab s SER 3 N -3.21 2.07 0.32 -1.43 1.04 -1.26 -4.49 113.70 106.73 1hab s SER 3 Ca 0.29 1.73 0.04 0.00 0.48 0.00 0.00 55.95 58.48 1hab s SER 3 Cb -0.04 -2.36 0.66 0.00 0.10 0.00 0.00 66.02 64.38 1hab s SER 3 CO 0.68 -3.55 1.86 1.55 0.98 0.00 0.00 173.24 174.76 1hab h PRO 4 N -2.18 0.85 0.33 4.02 0.13 -1.99 0.23 132.00 133.39 1hab h PRO 4 Ca -0.53 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1hab h PRO 4 Cb 1.30 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1hab h PRO 4 CO 0.48 0.57 -0.35 0.00 -0.23 0.00 0.00 178.00 178.47 1hab h ALA 5 N 1.56 -0.74 0.04 -0.56 0.00 -2.00 -1.03 119.26 116.52 1hab h ALA 5 Ca 0.46 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1hab h ALA 5 Cb 0.52 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1hab h ALA 5 CO -0.22 -0.96 -0.52 -0.44 0.00 0.00 0.00 179.25 177.11 1hab h ASP 6 N -0.72 -1.59 -0.31 0.00 3.32 -1.31 0.26 116.42 116.07 1hab h ASP 6 Ca -0.02 0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.30 1hab h ASP 6 Cb 0.66 0.60 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1hab h ASP 6 CO -0.08 -0.52 0.62 0.11 -1.72 0.00 0.00 179.24 177.65 1hab h LYS 7 N -0.68 0.00 0.01 3.56 1.57 -0.14 -2.48 116.57 118.42 1hab h LYS 7 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hab h LYS 7 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1hab h LYS 7 CO -0.33 0.00 -0.00 1.15 -0.57 0.00 0.00 179.45 179.70 1hab h THR 8 N 0.00 0.00 -1.01 -0.16 2.02 0.83 -2.36 112.91 112.23 1hab h THR 8 Ca 0.15 -0.01 0.23 0.00 0.77 0.00 0.00 66.41 67.54 1hab h THR 8 Cb 1.38 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.68 1hab h THR 8 CO -0.00 0.00 0.62 0.78 0.37 0.00 0.00 175.52 177.29 1hab h ASN 9 N -0.02 0.65 0.19 4.18 2.35 -1.25 0.43 115.58 122.12 1hab h ASN 9 Ca -0.00 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1hab h ASN 9 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1hab h ASN 9 CO 0.00 0.16 -0.30 0.58 -1.65 0.00 0.00 177.43 176.22 1hab h VAL 10 N 0.59 0.37 -0.96 2.81 2.07 -1.56 1.01 116.25 120.58 1hab h VAL 10 Ca 0.61 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.14 1hab h VAL 10 Cb 1.18 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1hab h VAL 10 CO -0.40 0.00 0.64 0.11 0.02 0.00 0.00 177.57 177.94 1hab h LYS 11 N -0.56 1.27 0.07 1.57 1.57 -0.34 0.52 116.57 120.66 1hab h LYS 11 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hab h LYS 11 Cb 0.55 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1hab h LYS 11 CO -0.12 0.84 -0.13 0.00 -0.57 0.00 0.00 179.45 179.46 1hab h ALA 12 N 1.35 -0.74 -0.85 3.86 0.00 0.19 0.42 119.26 123.50 1hab h ALA 12 Ca 0.35 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1hab h ALA 12 Cb -0.15 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1hab h ALA 12 CO -0.08 -0.77 0.55 0.00 0.00 0.00 0.00 179.25 178.96 1hab h ALA 13 N -1.39 1.55 -0.12 0.00 0.00 0.14 0.46 119.26 119.89 1hab h ALA 13 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1hab h ALA 13 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hab h ALA 13 CO -0.05 0.34 -0.10 2.35 0.00 0.00 0.00 179.25 181.79 1hab h TRP 14 N 0.97 0.33 -0.35 0.00 2.91 0.14 -1.89 115.95 118.07 1hab h TRP 14 Ca 0.36 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.35 1hab h TRP 14 Cb 0.16 -0.07 -0.07 0.00 -0.51 0.00 0.00 29.16 28.67 1hab h TRP 14 CO -0.00 0.66 -0.12 0.78 -1.03 0.00 0.00 178.44 178.74 1hab h GLY 15 N -0.10 0.20 -0.47 2.65 0.00 -0.39 0.42 103.07 105.39 1hab h GLY 15 Ca 0.02 0.15 0.33 0.00 0.00 0.00 0.00 47.33 47.83 1hab h GLY 15 CO 0.03 -0.15 0.77 1.70 0.00 0.00 0.00 176.54 178.89 1hab h LYS 16 N -0.04 0.22 0.07 4.80 3.11 -0.79 -1.15 116.57 122.79 1hab h LYS 16 Ca 0.17 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1hab h LYS 16 Cb 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1hab h LYS 16 CO -0.38 0.15 -0.03 0.28 -2.81 0.00 0.00 179.45 176.65 1hab h VAL 17 N 0.23 1.21 0.00 2.00 2.07 0.67 -3.47 116.25 118.95 1hab h VAL 17 Ca 0.65 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1hab h VAL 17 Cb 1.98 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1hab h VAL 17 CO -0.26 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1hab n GLY 18 N 0.23 2.51 0.00 2.17 0.00 -0.44 -0.40 105.19 109.27 1hab n GLY 18 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hab n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hab n ALA 19 N 7.48 1.15 0.48 4.61 0.00 -1.26 -0.72 120.51 132.25 1hab n ALA 19 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1hab n ALA 19 Cb 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 19.45 18.69 1hab n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hab n HIS 20 N -0.90 0.34 -0.23 0.00 -0.00 0.46 -4.55 115.22 110.34 1hab n HIS 20 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 57.72 57.78 1hab n HIS 20 Cb 0.00 -0.51 -0.03 0.00 -0.00 0.00 0.00 29.99 29.46 1hab n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1hab n ALA 21 N -1.89 -0.26 0.06 -1.41 0.00 0.10 -0.80 120.51 116.31 1hab n ALA 21 Ca 0.01 0.52 -0.11 0.00 0.00 0.00 0.00 53.44 53.86 1hab n ALA 21 Cb 0.46 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 1hab n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1hab h GLY 22 N 0.00 -0.27 0.30 0.00 0.00 -1.83 0.01 103.07 101.28 1hab h GLY 22 Ca 0.13 0.22 0.17 0.00 0.00 0.00 0.00 47.33 47.86 1hab h GLY 22 CO -0.55 -0.17 0.61 0.83 0.00 0.00 0.00 176.54 177.25 1hab h GLU 23 N -0.31 0.67 -0.10 4.80 5.08 -1.27 -1.93 114.58 121.52 1hab h GLU 23 Ca 0.05 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1hab h GLU 23 Cb 0.38 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1hab h GLU 23 CO -0.16 0.44 -0.28 1.88 -1.00 0.00 0.00 179.01 179.89 1hab h TYR 24 N 0.69 0.47 -0.44 4.33 0.05 -1.04 -1.33 116.97 119.69 1hab h TYR 24 Ca 0.51 -0.18 0.09 0.00 0.05 0.00 0.00 58.73 59.20 1hab h TYR 24 Cb 0.88 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 38.45 1hab h TYR 24 CO -0.00 0.89 -0.11 0.78 -1.05 0.00 0.00 178.16 178.67 1hab h GLY 25 N -0.09 0.32 0.34 3.88 0.00 -0.72 0.85 103.07 107.64 1hab h GLY 25 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.57 1hab h GLY 25 CO 0.06 -0.17 0.21 0.00 0.00 0.00 0.00 176.54 176.64 1hab h ALA 26 N 1.44 0.78 0.96 3.60 0.00 -1.27 0.34 119.26 125.12 1hab h ALA 26 Ca 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1hab h ALA 26 Cb 0.32 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1hab h ALA 26 CO -0.45 -0.21 -0.46 1.49 0.00 0.00 0.00 179.25 179.61 1hab h GLU 27 N 0.38 -1.25 -1.02 0.00 4.81 0.14 -0.47 114.58 117.17 1hab h GLU 27 Ca 0.31 0.08 0.31 0.00 -0.13 0.00 0.00 59.36 59.94 1hab h GLU 27 Cb 0.40 0.28 -0.14 0.00 0.63 0.00 0.00 28.75 29.93 1hab h GLU 27 CO -0.33 -0.83 0.60 0.00 -0.73 0.00 0.00 179.01 177.72 1hab h ALA 28 N -1.25 1.99 0.32 2.92 0.00 0.15 1.18 119.26 124.57 1hab h ALA 28 Ca -0.13 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1hab h ALA 28 Cb 0.99 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1hab h ALA 28 CO 0.22 -0.57 -0.15 -0.07 0.00 0.00 0.00 179.25 178.68 1hab h LEU 29 N 0.36 -0.36 -0.73 0.00 3.38 0.21 -1.41 115.31 116.76 1hab h LEU 29 Ca 0.72 -0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.67 1hab h LEU 29 Cb 1.64 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 42.37 1hab h LEU 29 CO -0.55 0.06 0.12 -0.08 0.09 0.00 0.00 178.44 178.07 1hab h GLU 30 N -0.88 0.20 -0.59 1.13 4.81 0.14 -0.33 114.58 119.06 1hab h GLU 30 Ca -0.04 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1hab h GLU 30 Cb 0.52 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1hab h GLU 30 CO 0.07 0.13 0.28 0.00 -0.73 0.00 0.00 179.01 178.76 1hab h ARG 31 N 0.20 0.50 -0.84 1.92 3.08 0.18 -1.18 114.38 118.23 1hab h ARG 31 Ca 0.41 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 1hab h ARG 31 Cb 0.72 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1hab h ARG 31 CO -0.56 0.33 0.40 1.98 -1.07 0.00 0.00 179.97 181.05 1hab h MET 32 N 0.51 1.22 -0.09 0.04 4.05 -0.11 -0.08 114.93 120.47 1hab h MET 32 Ca 0.28 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1hab h MET 32 Cb 0.25 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1hab h MET 32 CO -0.22 0.94 0.01 0.74 0.23 0.00 0.00 176.91 178.61 1hab h PHE 33 N 1.21 0.16 0.06 1.39 0.04 0.07 0.75 116.94 120.60 1hab h PHE 33 Ca 0.29 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 1hab h PHE 33 Cb 0.13 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.24 1hab h PHE 33 CO 0.02 0.36 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.99 1hab h LEU 34 N -0.09 -0.06 -0.72 1.54 4.07 -1.33 -3.03 115.31 115.68 1hab h LEU 34 Ca 0.03 -0.24 -0.14 0.00 0.08 0.00 0.00 57.88 57.61 1hab h LEU 34 Cb 0.29 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1hab h LEU 34 CO 0.00 0.20 -0.57 0.28 -1.08 0.00 0.00 178.44 177.28 1hab h SER 35 N -0.33 0.24 -2.51 -0.43 0.02 -0.93 -3.39 113.55 106.21 1hab h SER 35 Ca -0.01 -0.13 -0.59 0.00 -0.84 0.00 0.00 61.79 60.22 1hab h SER 35 Cb 0.30 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 62.38 1hab h SER 35 CO 0.01 0.76 -0.91 -0.36 -1.14 0.00 0.00 176.83 175.19 1hab s PHE 36 N -3.82 1.03 0.38 3.45 0.08 0.26 -4.98 117.98 114.38 1hab s PHE 36 Ca -0.04 -2.08 0.24 0.00 0.12 0.00 0.00 56.93 55.18 1hab s PHE 36 Cb 0.12 -0.99 1.28 0.00 -0.57 0.00 0.00 43.02 42.86 1hab s PHE 36 CO 0.79 -0.82 2.01 -1.00 -0.10 0.00 0.00 175.22 176.10 1hab h PRO 37 N 6.22 0.00 -1.11 0.24 0.13 -1.67 0.70 132.00 136.50 1hab h PRO 37 Ca 0.17 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.62 1hab h PRO 37 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 1hab h PRO 37 CO 0.34 0.16 0.79 0.00 -0.23 0.00 0.00 178.00 179.06 1hab h THR 38 N 0.00 0.45 0.00 1.56 1.03 -1.91 1.05 112.91 115.09 1hab h THR 38 Ca -0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 66.41 66.37 1hab h THR 38 Cb 0.41 0.42 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 1hab h THR 38 CO 0.02 0.00 -0.08 0.71 -0.01 0.00 0.00 175.52 176.17 1hab h THR 39 N 0.02 0.18 0.00 0.00 1.35 -1.16 -2.94 112.91 110.35 1hab h THR 39 Ca 0.53 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 1hab h THR 39 Cb 2.09 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.22 1hab h THR 39 CO -0.02 0.08 -0.20 0.11 -0.25 0.00 0.00 175.52 175.23 1hab h LYS 40 N 0.00 0.00 -1.41 4.72 1.57 0.10 -2.80 116.57 118.75 1hab h LYS 40 Ca -0.00 0.00 0.42 0.00 -1.87 0.00 0.00 60.65 59.20 1hab h LYS 40 Cb 0.71 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.93 1hab h LYS 40 CO 0.01 0.20 0.97 0.00 -0.57 0.00 0.00 179.45 180.07 1hab h THR 41 N 0.00 0.22 -0.00 -0.16 1.03 -1.59 -1.50 112.91 110.92 1hab h THR 41 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1hab h THR 41 Cb 0.48 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.69 1hab h THR 41 CO 0.03 0.02 -0.33 -1.22 -0.01 0.00 0.00 175.52 174.00 1hab n TYR 42 N -4.36 0.00 -2.62 0.00 4.02 -1.06 -4.26 117.16 108.88 1hab n TYR 42 Ca 0.34 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 58.02 1hab n TYR 42 Cb 1.46 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 40.48 1hab n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hab n PHE 43 N -1.39 2.72 0.27 -0.72 3.01 -0.56 -4.87 117.46 115.92 1hab n PHE 43 Ca 0.07 -3.18 0.11 0.00 1.01 0.00 0.00 57.45 55.46 1hab n PHE 43 Cb 0.33 -0.23 0.75 0.00 -0.01 0.00 0.00 39.48 40.33 1hab n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1hab h PRO 44 N 2.76 0.00 -0.91 -1.08 0.13 -1.74 -2.36 132.00 128.80 1hab h PRO 44 Ca 0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 1hab h PRO 44 Cb 0.94 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1hab h PRO 44 CO 0.73 0.05 0.09 -2.39 -0.23 0.00 0.00 178.00 176.26 1hab n HIS 45 N -4.04 0.86 -4.25 1.56 1.44 -1.26 -4.83 115.22 104.69 1hab n HIS 45 Ca -0.03 -0.53 -0.22 0.00 -2.01 0.00 0.00 57.72 54.93 1hab n HIS 45 Cb 0.14 -0.34 -0.12 0.00 0.12 0.00 0.00 29.99 29.79 1hab n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1hab s PHE 46 N -1.42 1.60 -0.24 -1.40 0.40 -0.89 -5.09 117.98 110.93 1hab s PHE 46 Ca 0.19 -0.44 -0.21 0.00 -0.60 0.00 0.00 56.93 55.87 1hab s PHE 46 Cb 0.15 -0.87 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 1hab s PHE 46 CO 0.05 0.17 0.65 0.34 0.70 0.00 0.00 175.22 177.13 1hab s ASP 47 N -1.94 6.63 0.00 1.36 2.15 -1.26 -4.92 116.67 118.69 1hab s ASP 47 Ca 0.05 0.78 0.16 0.00 0.43 0.00 0.00 52.55 53.96 1hab s ASP 47 Cb -0.09 -2.35 0.38 0.00 -0.30 0.00 0.00 42.92 40.55 1hab s ASP 47 CO 0.04 -0.36 1.29 0.18 -0.17 0.00 0.00 175.17 176.15 1hab n LEU 48 N 5.58 3.13 -4.76 -1.34 4.32 -1.26 -4.31 117.00 118.37 1hab n LEU 48 Ca -0.00 -1.76 -0.34 0.00 -0.02 0.00 0.00 56.01 53.89 1hab n LEU 48 Cb 0.49 -0.26 0.05 0.00 -1.62 0.00 0.00 43.42 42.08 1hab n LEU 48 CO 0.44 0.74 0.78 -0.94 -1.22 0.00 0.00 177.39 177.18 1hab s SER 49 N -1.09 4.95 0.34 -1.43 1.04 -1.26 -4.91 113.70 111.33 1hab s SER 49 Ca 0.31 2.17 0.11 0.00 0.48 0.00 0.00 55.95 59.02 1hab s SER 49 Cb 0.17 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.76 1hab s SER 49 CO 0.23 -1.74 1.58 -0.74 0.98 0.00 0.00 173.24 173.55 1hab h HIS 50 N 0.22 0.42 0.00 5.02 2.76 -2.02 -2.15 115.15 119.39 1hab h HIS 50 Ca -0.48 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1hab h HIS 50 Cb 1.27 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.21 1hab h HIS 50 CO 0.51 -0.43 0.00 0.41 -1.30 0.00 0.00 177.93 177.12 1hab n GLY 51 N -1.37 -2.70 2.92 5.26 0.00 -1.26 -4.96 105.19 103.07 1hab n GLY 51 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1hab n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hab n SER 52 N -1.41 -6.73 -0.04 1.61 2.88 -0.81 -4.80 113.62 104.32 1hab n SER 52 Ca 0.00 0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 58.10 1hab n SER 52 Cb 0.00 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 61.94 1hab n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hab h ALA 53 N 4.30 0.15 -0.65 -1.46 0.00 -1.89 -1.31 119.26 118.40 1hab h ALA 53 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1hab h ALA 53 Cb 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 1hab h ALA 53 CO 0.00 -0.06 -0.29 1.96 0.00 0.00 0.00 179.25 180.86 1hab h GLN 54 N -0.14 -0.10 -0.51 0.00 4.20 -1.92 0.35 115.11 116.99 1hab h GLN 54 Ca 0.02 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1hab h GLN 54 Cb 0.54 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1hab h GLN 54 CO 0.02 -0.07 0.31 0.28 -0.67 0.00 0.00 178.83 178.70 1hab h VAL 55 N -0.11 1.16 -0.60 -0.54 2.07 -1.72 0.20 116.25 116.70 1hab h VAL 55 Ca 0.27 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1hab h VAL 55 Cb 0.55 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1hab h VAL 55 CO -0.71 0.16 0.28 0.11 0.02 0.00 0.00 177.57 177.43 1hab h LYS 56 N 0.69 0.50 -0.55 1.57 1.57 0.42 0.40 116.57 121.16 1hab h LYS 56 Ca 0.18 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1hab h LYS 56 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1hab h LYS 56 CO -0.03 0.33 -0.09 0.78 -0.57 0.00 0.00 179.45 179.87 1hab h GLY 57 N 0.51 1.12 1.03 3.86 0.00 -0.16 -1.16 103.07 108.27 1hab h GLY 57 Ca 0.28 -0.89 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1hab h GLY 57 CO -0.23 0.82 0.20 0.84 0.00 0.00 0.00 176.54 178.17 1hab h HIS 58 N 0.91 1.07 -0.50 5.60 -0.00 0.05 -2.46 115.15 119.82 1hab h HIS 58 Ca 0.14 -0.11 0.10 0.00 -0.00 0.00 0.00 60.37 60.50 1hab h HIS 58 Cb 0.66 -0.31 -0.09 0.00 -0.00 0.00 0.00 27.41 27.67 1hab h HIS 58 CO 0.05 0.87 -0.06 0.78 -0.00 0.00 0.00 177.93 179.56 1hab h GLY 59 N 0.96 0.44 0.58 5.26 0.00 0.89 0.16 103.07 111.36 1hab h GLY 59 Ca 0.21 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1hab h GLY 59 CO -0.01 -0.17 0.24 1.70 0.00 0.00 0.00 176.54 178.31 1hab h LYS 60 N 0.05 0.44 0.10 4.80 3.64 -1.08 0.59 116.57 125.12 1hab h LYS 60 Ca 0.25 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1hab h LYS 60 Cb 0.38 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1hab h LYS 60 CO -0.47 0.29 -0.13 0.87 -2.27 0.00 0.00 179.45 177.74 1hab h LYS 61 N 0.46 -0.26 -0.53 1.90 1.79 -0.27 0.18 116.57 119.83 1hab h LYS 61 Ca 0.26 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.68 1hab h LYS 61 Cb 0.24 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1hab h LYS 61 CO -0.22 -0.17 0.07 -0.24 -1.08 0.00 0.00 179.45 177.81 1hab h VAL 62 N -0.27 1.25 -0.17 0.50 3.04 -0.57 -2.17 116.25 117.86 1hab h VAL 62 Ca 0.01 -0.98 0.05 0.00 -1.01 0.00 0.00 66.70 64.78 1hab h VAL 62 Cb 0.27 0.85 -0.05 0.00 -2.01 0.00 0.00 31.29 30.35 1hab h VAL 62 CO -0.06 0.35 -0.15 0.00 -1.01 0.00 0.00 177.57 176.71 1hab h ALA 63 N 0.98 -0.03 -0.87 3.17 0.00 0.45 -0.65 119.26 122.31 1hab h ALA 63 Ca 0.16 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.35 1hab h ALA 63 Cb 0.42 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1hab h ALA 63 CO 0.01 -0.58 0.59 -0.44 0.00 0.00 0.00 179.25 178.83 1hab h ASP 64 N -0.16 0.25 0.21 0.00 3.32 -0.29 -0.64 116.42 119.11 1hab h ASP 64 Ca 0.11 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 1hab h ASP 64 Cb 0.32 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1hab h ASP 64 CO -0.27 0.10 -1.06 0.00 -1.72 0.00 0.00 179.24 176.29 1hab h ALA 65 N 1.60 0.20 0.00 3.45 0.00 -0.50 -2.79 119.26 121.22 1hab h ALA 65 Ca 0.44 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1hab h ALA 65 Cb 1.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1hab h ALA 65 CO -0.11 0.76 -0.15 -0.07 0.00 0.00 0.00 179.25 179.68 1hab h LEU 66 N 0.28 0.00 0.60 0.00 3.38 -0.64 -1.16 115.31 117.77 1hab h LEU 66 Ca -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1hab h LEU 66 Cb 1.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.47 1hab h LEU 66 CO 0.19 0.15 -0.29 0.74 0.09 0.00 0.00 178.44 179.32 1hab h THR 67 N 0.00 0.00 -0.13 0.22 2.02 -1.19 0.23 112.91 114.06 1hab h THR 67 Ca -0.00 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1hab h THR 67 Cb 0.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1hab h THR 67 CO 0.02 0.00 0.31 -1.13 0.37 0.00 0.00 175.52 175.08 1hab h ASN 68 N -0.93 0.00 0.09 4.18 -1.24 -1.20 0.38 115.58 116.86 1hab h ASN 68 Ca -0.08 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.74 1hab h ASN 68 Cb 0.62 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.69 1hab h ASN 68 CO 0.14 0.00 -0.80 0.00 -1.29 0.00 0.00 177.43 175.48 1hab h ALA 69 N 1.51 -0.03 -0.29 1.57 0.00 -0.80 -0.52 119.26 120.72 1hab h ALA 69 Ca 0.06 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.35 1hab h ALA 69 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1hab h ALA 69 CO -0.00 0.41 0.08 0.28 0.00 0.00 0.00 179.25 180.01 1hab h VAL 70 N -0.19 0.89 -0.49 0.00 2.07 0.30 0.75 116.25 119.58 1hab h VAL 70 Ca -0.13 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1hab h VAL 70 Cb 1.56 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.91 1hab h VAL 70 CO 0.15 0.03 -0.39 0.00 0.02 0.00 0.00 177.57 177.39 1hab h ALA 71 N 1.20 -0.26 -1.02 1.67 0.00 -0.80 -0.20 119.26 119.85 1hab h ALA 71 Ca 0.13 0.11 -0.70 0.00 0.00 0.00 0.00 54.91 54.45 1hab h ALA 71 Cb 0.12 0.84 -0.30 0.00 0.00 0.00 0.00 17.79 18.45 1hab h ALA 71 CO -0.16 -0.78 0.69 0.72 0.00 0.00 0.00 179.25 179.73 1hab n HIS 72 N -5.42 3.11 0.17 0.00 8.25 -0.21 -4.65 115.22 116.48 1hab n HIS 72 Ca 0.01 -2.70 0.19 0.00 -0.26 0.00 0.00 57.72 54.96 1hab n HIS 72 Cb 0.35 -1.16 0.79 0.00 1.12 0.00 0.00 29.99 31.09 1hab n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1hab h VAL 73 N 1.60 0.32 0.24 1.59 3.04 0.10 -1.12 116.25 122.03 1hab h VAL 73 Ca 0.55 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.23 1hab h VAL 73 Cb 0.58 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1hab h VAL 73 CO 1.41 0.00 -0.12 0.44 -1.01 0.00 0.00 177.57 178.30 1hab h ASP 74 N 0.00 -0.28 -2.50 3.17 3.32 -1.83 -3.38 116.42 114.92 1hab h ASP 74 Ca 0.12 0.01 -0.77 0.00 0.02 0.00 0.00 57.03 56.41 1hab h ASP 74 Cb 0.82 0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.14 1hab h ASP 74 CO -0.00 0.05 0.65 -0.67 -1.72 0.00 0.00 179.24 177.55 1hab n ASP 75 N -4.25 6.45 0.21 6.45 2.03 -0.52 -4.78 116.55 122.13 1hab n ASP 75 Ca -0.04 -3.57 0.06 0.00 0.52 0.00 0.00 54.79 51.77 1hab n ASP 75 Cb 0.13 -1.11 0.44 0.00 -0.72 0.00 0.00 41.12 39.86 1hab n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hab h MET 76 N 4.56 0.00 -0.47 -0.67 -0.00 -1.48 -2.64 114.93 114.23 1hab h MET 76 Ca 0.34 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 60.12 1hab h MET 76 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.01 1hab h MET 76 CO 1.18 0.31 0.07 -1.35 -0.00 0.00 0.00 176.91 177.12 1hab h PRO 77 N 0.00 0.19 0.00 -0.10 0.11 -1.88 1.05 132.00 131.37 1hab h PRO 77 Ca -0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1hab h PRO 77 Cb 0.68 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1hab h PRO 77 CO 0.04 0.13 -0.00 -0.97 -0.21 0.00 0.00 178.00 176.99 1hab h ASN 78 N 0.20 0.00 1.05 -2.05 -1.24 -1.97 -2.84 115.58 108.73 1hab h ASN 78 Ca 0.23 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.12 1hab h ASN 78 Cb 0.31 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1hab h ASN 78 CO -0.32 0.00 -0.58 0.00 -1.29 0.00 0.00 177.43 175.24 1hab h ALA 79 N 2.00 0.76 0.00 1.57 0.00 0.25 -3.35 119.26 120.49 1hab h ALA 79 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1hab h ALA 79 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1hab h ALA 79 CO 0.00 0.72 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1hab n LEU 80 N -3.44 1.28 -0.36 0.00 4.77 0.32 -4.80 117.00 114.77 1hab n LEU 80 Ca 0.00 -1.28 -0.01 0.00 -0.03 0.00 0.00 56.01 54.70 1hab n LEU 80 Cb 0.68 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1hab n LEU 80 CO 0.41 0.32 0.55 -1.20 -1.33 0.00 0.00 177.39 176.14 1hab n SER 81 N -0.18 -0.59 -0.17 -1.43 7.64 -1.08 0.66 113.62 118.47 1hab n SER 81 Ca 0.00 1.63 -0.04 0.00 1.01 0.00 0.00 58.87 61.46 1hab n SER 81 Cb 0.12 -0.38 0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1hab n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hab h ALA 82 N 1.33 0.09 -0.19 -0.43 0.00 -1.87 -0.56 119.26 117.63 1hab h ALA 82 Ca 0.33 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1hab h ALA 82 Cb 0.57 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1hab h ALA 82 CO -0.93 -0.59 0.02 -0.07 0.00 0.00 0.00 179.25 177.68 1hab h LEU 83 N -0.13 0.30 -0.59 0.00 -0.00 -0.13 -2.74 115.31 112.02 1hab h LEU 83 Ca 0.23 -0.27 0.12 0.00 -0.00 0.00 0.00 57.88 57.96 1hab h LEU 83 Cb 0.50 -0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 40.99 1hab h LEU 83 CO -0.60 0.49 0.05 -1.28 -0.00 0.00 0.00 178.44 177.11 1hab h SER 84 N 0.10 -0.15 0.05 -0.43 0.87 -0.51 0.11 113.55 113.58 1hab h SER 84 Ca 0.06 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1hab h SER 84 Cb 0.32 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1hab h SER 84 CO 0.00 -0.06 -0.03 0.44 -0.53 0.00 0.00 176.83 176.65 1hab h ASP 85 N 0.17 -0.08 -0.81 6.23 5.19 -1.09 0.95 116.42 126.98 1hab h ASP 85 Ca 0.31 0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.77 1hab h ASP 85 Cb 0.48 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.96 1hab h ASP 85 CO -0.46 -0.05 0.51 0.25 -3.12 0.00 0.00 179.24 176.37 1hab h LEU 86 N -0.08 0.82 0.15 1.55 5.85 -0.90 0.17 115.31 122.88 1hab h LEU 86 Ca -0.00 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1hab h LEU 86 Cb 0.07 -0.17 0.03 0.00 0.37 0.00 0.00 40.66 40.96 1hab h LEU 86 CO 0.00 0.55 -1.00 0.45 -0.34 0.00 0.00 178.44 178.10 1hab h HIS 87 N 0.96 0.71 0.00 1.25 3.86 -0.71 0.58 115.15 121.80 1hab h HIS 87 Ca 0.34 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1hab h HIS 87 Cb 0.08 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1hab h HIS 87 CO -0.03 1.37 0.00 0.00 0.86 0.00 0.00 177.93 180.13 1hab n ALA 88 N -2.67 -0.10 0.07 2.45 0.00 0.32 -1.29 120.51 119.28 1hab n ALA 88 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1hab n ALA 88 Cb 0.89 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.26 1hab n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1hab h HIS 89 N 0.00 -0.15 -0.06 0.00 3.86 -0.82 -2.44 115.15 115.55 1hab h HIS 89 Ca 0.00 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1hab h HIS 89 Cb 0.00 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1hab h HIS 89 CO 0.04 0.16 -0.13 -0.22 0.86 0.00 0.00 177.93 178.64 1hab h LYS 90 N -0.45 0.19 0.00 2.45 3.64 -0.91 -3.39 116.57 118.10 1hab h LYS 90 Ca -0.02 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1hab h LYS 90 Cb 0.37 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1hab h LYS 90 CO 0.03 0.72 -1.57 1.28 -2.27 0.00 0.00 179.45 177.64 1hab n LEU 91 N -4.63 0.43 -3.80 5.20 4.77 0.20 -4.97 117.00 114.19 1hab n LEU 91 Ca -0.08 -0.21 -0.27 0.00 -0.03 0.00 0.00 56.01 55.41 1hab n LEU 91 Cb 0.37 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1hab n LEU 91 CO 0.37 0.11 -0.14 0.54 -1.33 0.00 0.00 177.39 176.94 1hab n ARG 92 N -1.93 -2.66 -2.32 3.23 1.74 -0.41 -4.87 116.66 109.44 1hab n ARG 92 Ca -0.01 0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 57.13 1hab n ARG 92 Cb 0.47 -4.45 -0.03 0.00 -1.02 0.00 0.00 32.46 27.43 1hab n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hab s VAL 93 N -3.71 3.20 -0.08 1.55 1.01 -0.77 -4.93 120.40 116.67 1hab s VAL 93 Ca 0.20 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1hab s VAL 93 Cb -0.07 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1hab s VAL 93 CO 0.87 0.26 1.49 -0.62 0.00 0.00 0.00 175.10 177.10 1hab s ASP 94 N -0.53 6.78 0.25 3.32 -1.08 -1.26 -4.90 116.67 119.25 1hab s ASP 94 Ca 0.48 2.04 0.04 0.00 -0.52 0.00 0.00 52.55 54.59 1hab s ASP 94 Cb -0.35 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.25 1hab s ASP 94 CO 0.44 -0.84 1.20 -0.81 0.52 0.00 0.00 175.17 175.68 1hab n PRO 95 N 6.72 -0.06 -0.29 4.34 -0.04 -1.26 -1.10 135.00 143.32 1hab n PRO 95 Ca 0.16 1.13 0.22 0.00 -0.04 0.00 0.00 63.50 64.96 1hab n PRO 95 Cb 0.44 -1.83 0.52 0.00 -0.04 0.00 0.00 33.50 32.58 1hab n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1hab h VAL 96 N 0.00 0.59 0.00 0.52 2.07 -2.02 -0.27 116.25 117.14 1hab h VAL 96 Ca 0.50 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1hab h VAL 96 Cb 1.11 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1hab h VAL 96 CO -0.69 0.07 0.00 0.59 0.02 0.00 0.00 177.57 177.56 1hab n ASN 97 N -4.55 0.65 -0.07 0.57 4.13 -0.25 -1.28 115.26 114.46 1hab n ASN 97 Ca 0.23 0.70 -0.14 0.00 1.68 0.00 0.00 54.58 57.05 1hab n ASN 97 Cb 0.81 -0.82 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 1hab n ASN 97 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1hab h PHE 98 N 0.00 0.78 -0.74 3.10 0.04 -1.21 -1.77 116.94 117.14 1hab h PHE 98 Ca 0.00 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.53 1hab h PHE 98 Cb 0.24 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 1hab h PHE 98 CO 0.00 1.03 0.49 0.87 -0.60 0.00 0.00 178.31 180.09 1hab h LYS 99 N 0.32 0.86 0.38 1.51 1.57 -1.29 0.16 116.57 120.08 1hab h LYS 99 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1hab h LYS 99 Cb 0.96 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1hab h LYS 99 CO 0.08 0.57 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.28 1hab h LEU 100 N 0.89 -0.43 -1.80 2.94 3.38 -1.29 -2.05 115.31 116.95 1hab h LEU 100 Ca 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1hab h LEU 100 Cb 0.07 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hab h LEU 100 CO -0.09 -0.06 -0.11 0.25 0.09 0.00 0.00 178.44 178.52 1hab h LEU 101 N -0.84 0.00 -0.19 1.67 5.85 -0.48 -1.69 115.31 119.63 1hab h LEU 101 Ca -0.05 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1hab h LEU 101 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1hab h LEU 101 CO 0.08 0.11 -0.05 0.28 -0.34 0.00 0.00 178.44 178.53 1hab h SER 102 N 0.00 0.38 -0.24 1.25 0.02 -0.57 -0.67 113.55 113.71 1hab h SER 102 Ca -0.00 -0.37 0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1hab h SER 102 Cb 0.19 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 1hab h SER 102 CO 0.01 0.66 -0.25 -0.74 -1.14 0.00 0.00 176.83 175.37 1hab h HIS 103 N 0.09 -0.67 0.00 3.45 -0.00 -0.59 0.47 115.15 117.92 1hab h HIS 103 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1hab h HIS 103 Cb 0.49 0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1hab h HIS 103 CO 0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 177.93 177.66 1hab h LEU 105 N 0.00 0.01 -0.18 0.00 5.85 0.14 -1.73 115.31 119.41 1hab h LEU 105 Ca 0.00 -0.75 0.05 0.00 0.84 0.00 0.00 57.88 58.02 1hab h LEU 105 Cb 0.01 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1hab h LEU 105 CO 0.00 0.77 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.61 1hab h LEU 106 N -0.74 -0.59 -2.21 2.25 3.38 0.13 0.40 115.31 117.94 1hab h LEU 106 Ca -0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1hab h LEU 106 Cb 0.77 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1hab h LEU 106 CO 0.00 -0.23 -0.04 0.58 0.09 0.00 0.00 178.44 178.84 1hab h VAL 107 N -0.21 0.69 0.13 1.22 2.07 -0.86 0.16 116.25 119.44 1hab h VAL 107 Ca 0.12 -0.15 -0.28 0.00 0.82 0.00 0.00 66.70 67.20 1hab h VAL 107 Cb 0.38 1.09 0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1hab h VAL 107 CO -0.30 0.04 -1.18 0.74 0.02 0.00 0.00 177.57 176.88 1hab h THR 108 N 0.00 1.31 0.61 2.57 2.02 0.62 -3.19 112.91 116.85 1hab h THR 108 Ca -0.00 -2.46 -0.02 0.00 0.77 0.00 0.00 66.41 64.70 1hab h THR 108 Cb 0.09 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1hab h THR 108 CO 0.00 0.74 -0.41 -0.07 0.37 0.00 0.00 175.52 176.16 1hab h LEU 109 N 0.18 -1.05 -0.72 2.58 4.07 0.58 -2.97 115.31 117.99 1hab h LEU 109 Ca -0.18 0.07 0.14 0.00 0.08 0.00 0.00 57.88 57.98 1hab h LEU 109 Cb 1.87 0.32 -0.14 0.00 1.08 0.00 0.00 40.66 43.80 1hab h LEU 109 CO 0.23 -0.62 -0.20 0.00 -1.08 0.00 0.00 178.44 176.77 1hab h ALA 110 N -0.71 0.42 -0.00 1.53 0.00 -0.87 -0.76 119.26 118.86 1hab h ALA 110 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1hab h ALA 110 Cb 0.80 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1hab h ALA 110 CO 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 179.25 178.86 1hab h ALA 111 N 1.64 1.19 -0.09 0.00 0.00 -1.51 -2.63 119.26 117.86 1hab h ALA 111 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1hab h ALA 111 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1hab h ALA 111 CO -0.75 -0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.22 1hab n HIS 112 N -3.35 0.12 -2.65 0.00 -0.00 -0.36 -4.73 115.22 104.25 1hab n HIS 112 Ca -0.03 -0.37 -0.11 0.00 -0.00 0.00 0.00 57.72 57.22 1hab n HIS 112 Cb 0.08 -0.03 0.03 0.00 -0.00 0.00 0.00 29.99 30.07 1hab n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1hab n LEU 113 N -0.04 1.71 -0.40 2.41 4.77 -0.79 -4.95 117.00 119.71 1hab n LEU 113 Ca 0.04 -3.85 -0.11 0.00 -0.03 0.00 0.00 56.01 52.06 1hab n LEU 113 Cb 0.26 0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1hab n LEU 113 CO 0.03 1.62 0.48 1.55 -1.33 0.00 0.00 177.39 179.74 1hab h PRO 114 N 2.97 -0.01 0.00 3.23 0.13 -1.85 1.71 132.00 138.18 1hab h PRO 114 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1hab h PRO 114 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1hab h PRO 114 CO 0.53 -0.01 -0.10 0.00 -0.23 0.00 0.00 178.00 178.19 1hab h ALA 115 N 0.43 1.14 0.00 -0.56 0.00 -1.93 -3.22 119.26 115.12 1hab h ALA 115 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hab h ALA 115 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1hab h ALA 115 CO -0.90 0.12 -1.24 0.39 0.00 0.00 0.00 179.25 177.62 1hab n GLU 116 N -3.40 0.44 -2.18 0.00 -0.58 0.41 -4.74 120.64 110.59 1hab n GLU 116 Ca -0.01 -0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.25 1hab n GLU 116 Cb 0.26 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1hab n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1hab n PHE 117 N -1.69 3.65 -2.23 -0.32 7.35 0.48 -4.86 117.46 119.84 1hab n PHE 117 Ca 0.02 -2.94 -0.31 0.00 -0.76 0.00 0.00 57.45 53.46 1hab n PHE 117 Cb 0.38 -2.33 -0.01 0.00 0.35 0.00 0.00 39.48 37.87 1hab n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hab s THR 118 N 2.24 4.67 0.41 -2.13 -4.23 -1.26 -4.76 115.64 110.58 1hab s THR 118 Ca 0.45 0.93 0.17 0.00 -1.18 0.00 0.00 61.69 62.06 1hab s THR 118 Cb 0.09 -3.80 0.38 0.00 1.34 0.00 0.00 72.50 70.51 1hab s THR 118 CO -0.02 -0.89 1.84 -0.65 -0.54 0.00 0.00 174.62 174.35 1hab h PRO 119 N 0.35 0.42 0.03 3.99 0.11 -1.97 1.92 132.00 136.85 1hab h PRO 119 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1hab h PRO 119 Cb 1.19 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.21 1hab h PRO 119 CO 0.62 0.28 -0.32 0.00 -0.21 0.00 0.00 178.00 178.37 1hab h ALA 120 N 1.61 -0.01 -0.77 -0.75 0.00 -1.98 -1.52 119.26 115.85 1hab h ALA 120 Ca 0.50 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1hab h ALA 120 Cb 1.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1hab h ALA 120 CO -0.20 0.13 0.43 0.28 0.00 0.00 0.00 179.25 179.89 1hab h VAL 121 N -0.60 1.23 -0.73 0.00 2.07 -1.55 -0.65 116.25 116.02 1hab h VAL 121 Ca -0.05 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1hab h VAL 121 Cb 1.16 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1hab h VAL 121 CO 0.06 0.25 0.41 -0.74 0.02 0.00 0.00 177.57 177.57 1hab h HIS 122 N 1.06 0.75 -0.44 1.57 6.17 0.30 -0.03 115.15 124.53 1hab h HIS 122 Ca 0.27 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.24 1hab h HIS 122 Cb 0.01 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.70 1hab h HIS 122 CO -0.00 0.35 -0.27 0.00 0.71 0.00 0.00 177.93 178.72 1hab h ALA 123 N 1.38 0.63 -0.52 5.26 0.00 -0.49 -1.41 119.26 124.11 1hab h ALA 123 Ca 0.33 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1hab h ALA 123 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1hab h ALA 123 CO -0.20 0.65 -0.01 0.77 0.00 0.00 0.00 179.25 180.46 1hab h SER 124 N 0.80 0.87 -0.07 0.00 0.02 -0.64 -1.94 113.55 112.58 1hab h SER 124 Ca 0.09 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 1hab h SER 124 Cb 0.85 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1hab h SER 124 CO 0.07 0.94 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.32 1hab h LEU 125 N 0.82 0.55 -0.55 5.07 3.38 -0.83 -1.33 115.31 122.43 1hab h LEU 125 Ca 0.15 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1hab h LEU 125 Cb 0.51 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1hab h LEU 125 CO 0.03 0.83 0.32 -0.78 0.09 0.00 0.00 178.44 178.93 1hab h ASP 126 N 0.46 0.51 0.32 -0.43 3.58 -1.00 -1.83 116.42 118.02 1hab h ASP 126 Ca 0.06 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.32 1hab h ASP 126 Cb 0.77 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 1hab h ASP 126 CO 0.06 0.35 -0.80 0.11 -2.88 0.00 0.00 179.24 176.08 1hab h LYS 127 N 0.63 0.38 0.05 0.28 1.57 -0.78 -2.00 116.57 116.70 1hab h LYS 127 Ca 0.23 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1hab h LYS 127 Cb 0.05 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1hab h LYS 127 CO -0.11 1.00 -0.06 0.35 -0.57 0.00 0.00 179.45 180.06 1hab h PHE 128 N 0.24 -0.16 -0.93 -1.35 3.57 -1.03 0.54 116.94 117.83 1hab h PHE 128 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1hab h PHE 128 Cb 1.40 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 1hab h PHE 128 CO 0.05 -0.10 0.57 -0.07 -2.23 0.00 0.00 178.31 176.53 1hab h LEU 129 N -0.14 1.10 -0.76 0.59 3.38 -1.34 -1.07 115.31 117.07 1hab h LEU 129 Ca 0.01 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1hab h LEU 129 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1hab h LEU 129 CO -0.03 0.83 -0.29 0.00 0.09 0.00 0.00 178.44 179.04 1hab h ALA 130 N 1.36 0.93 -0.32 1.53 0.00 -0.93 -2.02 119.26 119.81 1hab h ALA 130 Ca 0.33 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1hab h ALA 130 Cb -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1hab h ALA 130 CO -0.07 0.61 0.05 0.77 0.00 0.00 0.00 179.25 180.62 1hab h SER 131 N 0.54 0.51 -0.70 0.00 0.02 -0.14 -2.21 113.55 111.56 1hab h SER 131 Ca 0.07 -0.26 0.06 0.00 -0.84 0.00 0.00 61.79 60.81 1hab h SER 131 Cb 0.77 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 1hab h SER 131 CO 0.06 0.64 0.40 0.58 -1.14 0.00 0.00 176.83 177.37 1hab h VAL 132 N 0.35 0.98 -0.66 2.27 2.07 -0.92 -1.57 116.25 118.79 1hab h VAL 132 Ca 0.10 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1hab h VAL 132 Cb 0.35 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1hab h VAL 132 CO 0.01 0.13 0.40 0.28 0.02 0.00 0.00 177.57 178.41 1hab h SER 133 N 0.73 0.63 0.02 0.57 0.02 -1.21 0.41 113.55 114.72 1hab h SER 133 Ca 0.31 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1hab h SER 133 Cb 0.18 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1hab h SER 133 CO -0.18 0.43 -0.31 0.74 -1.14 0.00 0.00 176.83 176.37 1hab h THR 134 N 0.76 0.32 -0.18 -2.27 2.02 -0.68 0.24 112.91 113.12 1hab h THR 134 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.50 1hab h THR 134 Cb 0.07 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1hab h THR 134 CO -0.13 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 176.22 1hab h VAL 135 N -0.47 0.64 0.00 3.16 2.07 -0.82 0.10 116.25 120.94 1hab h VAL 135 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1hab h VAL 135 Cb 0.55 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1hab h VAL 135 CO -0.25 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.58 1hab h LEU 136 N -0.12 0.00 -2.15 2.57 3.38 0.17 -1.27 115.31 117.89 1hab h LEU 136 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1hab h LEU 136 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1hab h LEU 136 CO -0.26 0.00 -0.06 0.35 0.09 0.00 0.00 178.44 178.57 1hab n THR 137 N -2.55 0.62 0.28 0.22 -2.24 0.13 -4.33 114.28 106.42 1hab n THR 137 Ca -0.02 -0.67 0.16 0.00 -2.27 0.00 0.00 64.05 61.25 1hab n THR 137 Cb 0.35 0.60 0.83 0.00 -2.10 0.00 0.00 70.33 70.00 1hab n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1hab h SER 138 N 0.00 0.00 0.54 3.42 4.64 0.29 -1.28 113.55 121.15 1hab h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hab h SER 138 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1hab h SER 138 CO 0.00 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1hab n LYS 139 N -3.40 0.12 -0.16 4.77 4.76 -1.26 -1.05 118.16 121.95 1hab n LYS 139 Ca -0.02 0.40 0.02 0.00 -2.87 0.00 0.00 58.31 55.84 1hab n LYS 139 Cb 0.22 -1.75 0.08 0.00 -1.84 0.00 0.00 35.03 31.74 1hab n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hab n TYR 140 N -1.98 0.37 -0.47 2.13 4.01 -0.48 -4.98 117.16 115.75 1hab n TYR 140 Ca 0.02 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1hab n TYR 140 Cb 0.18 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 1hab n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94