#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0d s LEU 2 N 0.00 4.24 0.73 6.55 1.43 -1.26 -5.04 118.68 125.33 1y0d s LEU 2 Ca 0.00 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.68 1y0d s LEU 2 Cb 0.00 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.73 1y0d s LEU 2 CO 0.00 -0.57 1.06 -0.94 0.23 0.00 0.00 176.35 176.14 1y0d s SER 3 N 1.38 4.81 0.34 2.29 1.04 -1.26 -4.87 113.70 117.41 1y0d s SER 3 Ca 0.52 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.58 1y0d s SER 3 Cb -0.21 -1.25 0.58 0.00 0.10 0.00 0.00 66.02 65.24 1y0d s SER 3 CO 0.18 -1.64 1.99 -0.65 0.98 0.00 0.00 173.24 174.10 1y0d h PRO 4 N -0.72 0.89 -0.62 4.02 0.11 -1.99 -1.13 132.00 132.56 1y0d h PRO 4 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1y0d h PRO 4 Cb 1.31 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1y0d h PRO 4 CO 0.62 0.60 0.25 0.00 -0.21 0.00 0.00 178.00 179.26 1y0d h ALA 5 N 1.56 0.81 0.01 -0.75 0.00 -1.99 -1.24 119.26 117.67 1y0d h ALA 5 Ca 0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y0d h ALA 5 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1y0d h ALA 5 CO -0.05 0.42 -0.00 -0.44 0.00 0.00 0.00 179.25 179.18 1y0d h ASP 6 N 0.87 -0.01 -0.63 0.00 3.32 -1.81 0.36 116.42 118.52 1y0d h ASP 6 Ca 0.21 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1y0d h ASP 6 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1y0d h ASP 6 CO -0.02 0.05 0.34 0.11 -1.72 0.00 0.00 179.24 178.00 1y0d h LYS 7 N -0.07 0.90 0.03 3.56 1.57 -1.00 0.20 116.57 121.77 1y0d h LYS 7 Ca -0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1y0d h LYS 7 Cb 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1y0d h LYS 7 CO 0.00 0.68 -0.01 1.15 -0.57 0.00 0.00 179.45 180.70 1y0d h THR 8 N 0.91 1.11 -0.49 -0.16 2.02 -0.82 0.87 112.91 116.35 1y0d h THR 8 Ca 0.23 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 67.05 1y0d h THR 8 Cb 0.05 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1y0d h THR 8 CO -0.04 0.11 0.21 0.78 0.37 0.00 0.00 175.52 176.95 1y0d h ASN 9 N -0.22 0.26 -0.36 4.18 2.35 0.26 -1.01 115.58 121.05 1y0d h ASN 9 Ca -0.00 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1y0d h ASN 9 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1y0d h ASN 9 CO 0.01 0.18 0.01 0.58 -1.65 0.00 0.00 177.43 176.56 1y0d h VAL 10 N 0.41 1.26 -0.76 2.81 2.07 -0.45 -1.69 116.25 119.89 1y0d h VAL 10 Ca 0.23 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1y0d h VAL 10 Cb 0.19 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1y0d h VAL 10 CO -0.20 0.32 0.45 0.11 0.02 0.00 0.00 177.57 178.27 1y0d h LYS 11 N 0.44 1.03 0.69 1.57 1.57 -0.46 -1.83 116.57 119.59 1y0d h LYS 11 Ca 0.10 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1y0d h LYS 11 Cb 0.44 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1y0d h LYS 11 CO 0.02 0.73 -0.33 0.00 -0.57 0.00 0.00 179.45 179.30 1y0d h ALA 12 N 1.44 -1.03 -0.47 3.86 0.00 -1.02 -1.05 119.26 120.99 1y0d h ALA 12 Ca 0.27 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1y0d h ALA 12 Cb -0.02 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1y0d h ALA 12 CO -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 179.25 178.20 1y0d h ALA 13 N -1.37 0.40 -0.41 0.00 0.00 -1.27 -0.13 119.26 116.47 1y0d h ALA 13 Ca -0.10 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1y0d h ALA 13 Cb 0.72 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1y0d h ALA 13 CO 0.16 -0.41 0.01 2.35 0.00 0.00 0.00 179.25 181.35 1y0d h TRP 14 N 0.07 0.69 -0.59 0.00 2.91 -1.41 -2.42 115.95 115.20 1y0d h TRP 14 Ca 0.23 -0.08 0.10 0.00 1.13 0.00 0.00 58.89 60.27 1y0d h TRP 14 Cb 0.36 -0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 28.74 1y0d h TRP 14 CO -0.34 0.65 0.19 0.78 -1.03 0.00 0.00 178.44 178.69 1y0d h GLY 15 N 0.91 0.80 2.00 2.65 0.00 0.35 -0.48 103.07 109.30 1y0d h GLY 15 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1y0d h GLY 15 CO 0.01 -0.05 -0.34 0.50 0.00 0.00 0.00 176.54 176.67 1y0d h LYS 16 N 0.35 0.00 -0.20 4.80 1.79 -0.90 -3.17 116.57 119.23 1y0d h LYS 16 Ca 0.30 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.81 1y0d h LYS 16 Cb 0.40 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1y0d h LYS 16 CO -0.33 0.34 -0.04 0.28 -1.08 0.00 0.00 179.45 178.62 1y0d h VAL 17 N 0.00 0.81 0.00 0.50 2.07 -0.90 -3.45 116.25 115.28 1y0d h VAL 17 Ca -0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1y0d h VAL 17 Cb 0.76 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1y0d h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1y0d n GLY 18 N -1.20 2.81 0.06 2.17 0.00 -1.16 -1.55 105.19 106.33 1y0d n GLY 18 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1y0d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0d n ALA 19 N 9.01 1.01 1.16 4.61 0.00 -1.26 -2.22 120.51 132.82 1y0d n ALA 19 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1y0d n ALA 19 Cb 0.00 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 18.62 1y0d n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0d n HIS 20 N -1.76 0.00 -0.26 0.00 8.25 -0.59 -4.52 115.22 116.33 1y0d n HIS 20 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1y0d n HIS 20 Cb 0.01 -0.11 0.18 0.00 1.12 0.00 0.00 29.99 31.20 1y0d n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y0d h ALA 21 N 3.62 0.89 -0.83 -1.41 0.00 -1.55 0.09 119.26 120.08 1y0d h ALA 21 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1y0d h ALA 21 Cb 0.55 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1y0d h ALA 21 CO 0.00 -0.42 0.55 0.78 0.00 0.00 0.00 179.25 180.16 1y0d h GLY 22 N 0.14 1.17 1.41 0.00 0.00 -1.85 0.22 103.07 104.16 1y0d h GLY 22 Ca 0.44 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1y0d h GLY 22 CO -0.64 0.42 -0.12 0.83 0.00 0.00 0.00 176.54 177.03 1y0d h GLU 23 N 1.12 0.70 -0.16 4.80 5.08 -1.33 -0.22 114.58 124.58 1y0d h GLU 23 Ca 0.30 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 1y0d h GLU 23 Cb -0.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1y0d h GLU 23 CO -0.07 0.80 -0.68 1.88 -1.00 0.00 0.00 179.01 179.94 1y0d h TYR 24 N 0.64 0.86 0.39 4.33 0.05 -0.76 -0.75 116.97 121.73 1y0d h TYR 24 Ca 0.11 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 1y0d h TYR 24 Cb 0.57 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1y0d h TYR 24 CO 0.03 1.14 -0.44 0.78 -1.05 0.00 0.00 178.16 178.62 1y0d h GLY 25 N 0.89 -1.19 0.15 3.88 0.00 -0.16 0.44 103.07 107.07 1y0d h GLY 25 Ca -0.02 0.57 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1y0d h GLY 25 CO 0.13 -0.35 0.09 0.00 0.00 0.00 0.00 176.54 176.42 1y0d h ALA 26 N -0.97 0.67 -0.26 3.60 0.00 -1.02 -2.24 119.26 119.03 1y0d h ALA 26 Ca -0.05 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1y0d h ALA 26 Cb 0.75 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1y0d h ALA 26 CO -0.08 -0.33 -0.19 1.49 0.00 0.00 0.00 179.25 180.14 1y0d h GLU 27 N 0.22 0.46 -0.66 0.00 4.81 -0.67 -1.55 114.58 117.19 1y0d h GLU 27 Ca 0.31 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1y0d h GLU 27 Cb 0.47 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1y0d h GLU 27 CO -0.42 0.63 0.18 0.00 -0.73 0.00 0.00 179.01 178.67 1y0d h ALA 28 N 1.39 0.86 -0.31 2.92 0.00 -0.34 -0.46 119.26 123.31 1y0d h ALA 28 Ca 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1y0d h ALA 28 Cb 0.57 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y0d h ALA 28 CO 0.04 0.56 0.05 -0.07 0.00 0.00 0.00 179.25 179.83 1y0d h LEU 29 N 0.97 0.50 -1.00 0.00 3.38 -1.21 -0.26 115.31 117.68 1y0d h LEU 29 Ca 0.21 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1y0d h LEU 29 Cb 0.34 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1y0d h LEU 29 CO -0.00 0.64 0.66 -0.08 0.09 0.00 0.00 178.44 179.75 1y0d h GLU 30 N 0.34 1.26 -0.23 1.13 4.81 -1.05 0.45 114.58 121.28 1y0d h GLU 30 Ca 0.09 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1y0d h GLU 30 Cb 0.36 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1y0d h GLU 30 CO 0.01 0.83 -0.43 0.00 -0.73 0.00 0.00 179.01 178.69 1y0d h ARG 31 N 1.29 0.57 -0.35 1.92 3.08 -0.71 -2.71 114.38 117.48 1y0d h ARG 31 Ca 0.39 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1y0d h ARG 31 Cb -0.04 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1y0d h ARG 31 CO -0.11 0.90 0.14 1.98 -1.07 0.00 0.00 179.97 181.80 1y0d h MET 32 N 0.47 0.53 -0.59 0.04 4.05 0.24 -0.51 114.93 119.16 1y0d h MET 32 Ca 0.03 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1y0d h MET 32 Cb 0.94 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 1y0d h MET 32 CO 0.08 0.52 0.27 0.74 0.23 0.00 0.00 176.91 178.76 1y0d h PHE 33 N 0.42 0.83 0.20 1.39 0.04 -0.91 0.46 116.94 119.37 1y0d h PHE 33 Ca 0.12 -0.03 -0.27 0.00 2.80 0.00 0.00 57.97 60.59 1y0d h PHE 33 Cb 0.19 -0.26 0.03 0.00 2.20 0.00 0.00 35.95 38.11 1y0d h PHE 33 CO -0.00 0.62 -1.19 -0.07 -0.60 0.00 0.00 178.31 177.07 1y0d h LEU 34 N 0.84 0.69 0.02 1.54 3.38 -1.37 -3.24 115.31 117.17 1y0d h LEU 34 Ca 0.21 -0.93 -0.26 0.00 0.09 0.00 0.00 57.88 56.98 1y0d h LEU 34 Cb 0.10 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1y0d h LEU 34 CO -0.03 1.57 -1.15 0.28 0.09 0.00 0.00 178.44 179.21 1y0d h SER 35 N -0.07 0.58 -2.55 -0.43 0.02 -0.90 -3.39 113.55 106.81 1y0d h SER 35 Ca -0.21 -0.54 -0.60 0.00 -0.84 0.00 0.00 61.79 59.61 1y0d h SER 35 Cb 1.94 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 63.89 1y0d h SER 35 CO 0.22 1.38 -0.81 0.49 -1.14 0.00 0.00 176.83 176.97 1y0d n PHE 36 N -3.67 1.16 0.29 3.45 3.01 0.16 -4.98 117.46 116.88 1y0d n PHE 36 Ca -0.09 -3.79 0.16 0.00 1.01 0.00 0.00 57.45 54.74 1y0d n PHE 36 Cb 0.95 -0.22 0.88 0.00 -0.01 0.00 0.00 39.48 41.08 1y0d n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0d h PRO 37 N 5.16 0.00 0.00 -1.08 0.13 -1.71 -1.05 132.00 133.45 1y0d h PRO 37 Ca 0.19 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1y0d h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1y0d h PRO 37 CO 0.56 0.00 -0.16 1.79 -0.23 0.00 0.00 178.00 179.96 1y0d h THR 38 N 0.00 0.53 0.00 1.56 1.35 -1.91 -2.54 112.91 111.90 1y0d h THR 38 Ca 0.00 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1y0d h THR 38 Cb 0.30 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1y0d h THR 38 CO 0.00 0.16 -0.04 0.71 -0.25 0.00 0.00 175.52 176.10 1y0d h THR 39 N 0.00 0.16 0.00 6.82 1.35 -1.51 -2.71 112.91 117.02 1y0d h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1y0d h THR 39 Cb 0.52 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1y0d h THR 39 CO 0.02 0.04 0.00 0.11 -0.25 0.00 0.00 175.52 175.44 1y0d h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.64 -3.00 116.57 118.23 1y0d h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0d h LYS 40 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1y0d h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1y0d h THR 41 N 0.00 0.00 -0.02 -0.16 1.35 -1.69 -1.27 112.91 111.12 1y0d h THR 41 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1y0d h THR 41 Cb 0.26 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1y0d h THR 41 CO 0.00 0.00 -0.24 -1.22 -0.25 0.00 0.00 175.52 173.81 1y0d n TYR 42 N -2.70 0.00 -2.53 4.73 4.01 -1.13 -4.36 117.16 115.18 1y0d n TYR 42 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1y0d n TYR 42 Cb 0.08 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 1y0d n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0d n PHE 43 N 0.05 2.10 0.28 -0.72 3.01 -0.48 -4.88 117.46 116.81 1y0d n PHE 43 Ca 0.13 -2.64 0.16 0.00 1.01 0.00 0.00 57.45 56.11 1y0d n PHE 43 Cb 0.43 -0.26 0.79 0.00 -0.01 0.00 0.00 39.48 40.43 1y0d n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0d h PRO 44 N 2.65 0.00 -0.24 -1.08 0.13 -1.76 -2.32 132.00 129.38 1y0d h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1y0d h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y0d h PRO 44 CO 0.58 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1y0d n HIS 45 N -3.31 0.31 -4.15 1.56 1.44 -1.26 -4.88 115.22 104.94 1y0d n HIS 45 Ca -0.01 -0.15 -0.22 0.00 -2.01 0.00 0.00 57.72 55.32 1y0d n HIS 45 Cb 0.25 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.30 1y0d n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0d s PHE 46 N -1.69 2.91 -0.35 -1.40 2.99 -0.87 -5.08 117.98 114.49 1y0d s PHE 46 Ca 0.28 -0.19 -0.16 0.00 0.00 0.00 0.00 56.93 56.86 1y0d s PHE 46 Cb 0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 43.02 41.77 1y0d s PHE 46 CO 0.21 0.51 0.38 0.34 -0.00 0.00 0.00 175.22 176.66 1y0d s ASP 47 N -3.80 6.19 0.00 1.36 2.15 -1.26 -4.95 116.67 116.36 1y0d s ASP 47 Ca 0.34 -0.25 0.20 0.00 0.43 0.00 0.00 52.55 53.27 1y0d s ASP 47 Cb -0.07 -2.21 0.53 0.00 -0.30 0.00 0.00 42.92 40.88 1y0d s ASP 47 CO 0.23 -0.37 1.45 0.18 -0.17 0.00 0.00 175.17 176.49 1y0d n LEU 48 N 5.43 3.09 -4.75 -1.34 4.77 -1.26 -4.47 117.00 118.47 1y0d n LEU 48 Ca -0.09 -1.46 -0.34 0.00 -0.03 0.00 0.00 56.01 54.09 1y0d n LEU 48 Cb 0.49 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1y0d n LEU 48 CO 0.41 0.73 0.76 -0.94 -1.33 0.00 0.00 177.39 177.03 1y0d s SER 49 N -1.20 4.71 0.16 -1.43 1.04 -1.26 -4.93 113.70 110.79 1y0d s SER 49 Ca 0.39 2.15 -0.31 0.00 0.48 0.00 0.00 55.95 58.66 1y0d s SER 49 Cb 0.21 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.65 1y0d s SER 49 CO 0.28 -1.91 1.74 -2.28 0.98 0.00 0.00 173.24 172.05 1y0d s HIS 50 N -2.18 2.61 -0.69 5.02 2.46 -1.26 -1.83 115.29 119.41 1y0d s HIS 50 Ca 0.70 0.24 0.00 0.00 0.47 0.00 0.00 55.06 56.47 1y0d s HIS 50 Cb -0.24 -4.12 0.00 0.00 -0.13 0.00 0.00 32.58 28.09 1y0d s HIS 50 CO 0.43 -4.38 0.00 0.41 -2.47 0.00 0.00 174.74 168.73 1y0d n GLY 51 N 4.05 0.85 3.76 1.59 0.00 -1.26 -4.99 105.19 109.18 1y0d n GLY 51 Ca 0.16 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1y0d n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y0d s SER 52 N -2.92 6.65 0.48 1.61 1.04 -0.76 -4.88 113.70 114.93 1y0d s SER 52 Ca 0.00 2.72 0.20 0.00 0.48 0.00 0.00 55.95 59.35 1y0d s SER 52 Cb 0.00 -2.64 1.21 0.00 0.10 0.00 0.00 66.02 64.69 1y0d s SER 52 CO 0.00 -0.67 2.03 0.00 0.98 0.00 0.00 173.24 175.59 1y0d h ALA 53 N 4.21 1.53 -0.27 5.32 0.00 -1.90 -0.93 119.26 127.22 1y0d h ALA 53 Ca -0.48 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 1y0d h ALA 53 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y0d h ALA 53 CO 0.72 0.19 -0.35 1.96 0.00 0.00 0.00 179.25 181.77 1y0d h GLN 54 N 0.00 0.71 -0.42 0.00 4.20 -1.90 0.17 115.11 117.87 1y0d h GLN 54 Ca -0.00 -0.41 -0.14 0.00 0.06 0.00 0.00 58.65 58.16 1y0d h GLN 54 Cb 0.31 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1y0d h GLN 54 CO 0.02 1.03 -0.28 0.28 -0.67 0.00 0.00 178.83 179.21 1y0d h VAL 55 N 0.45 1.27 0.36 -0.54 2.07 -1.71 -1.15 116.25 117.00 1y0d h VAL 55 Ca 0.03 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1y0d h VAL 55 Cb 0.93 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1y0d h VAL 55 CO 0.08 0.49 -0.18 0.11 0.02 0.00 0.00 177.57 178.09 1y0d h LYS 56 N 0.77 -0.48 -0.66 1.57 1.57 -1.08 0.23 116.57 118.50 1y0d h LYS 56 Ca 0.09 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1y0d h LYS 56 Cb 0.86 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.22 1y0d h LYS 56 CO 0.08 -0.32 0.36 0.78 -0.57 0.00 0.00 179.45 179.77 1y0d h GLY 57 N -0.49 0.96 1.46 3.86 0.00 -0.92 -1.56 103.07 106.38 1y0d h GLY 57 Ca -0.05 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1y0d h GLY 57 CO 0.08 0.14 -0.11 0.84 0.00 0.00 0.00 176.54 177.48 1y0d h HIS 58 N 0.65 0.71 -0.71 5.60 -0.00 -0.87 -2.07 115.15 118.46 1y0d h HIS 58 Ca 0.30 -0.12 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1y0d h HIS 58 Cb 0.21 -0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 1y0d h HIS 58 CO -0.09 0.74 0.45 0.78 -0.00 0.00 0.00 177.93 179.81 1y0d h GLY 59 N 0.96 1.03 0.93 5.26 0.00 0.38 0.14 103.07 111.77 1y0d h GLY 59 Ca 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1y0d h GLY 59 CO 0.03 0.30 -0.10 1.70 0.00 0.00 0.00 176.54 178.48 1y0d h LYS 60 N 0.89 -0.23 -0.51 4.80 3.64 -0.88 0.10 116.57 124.38 1y0d h LYS 60 Ca 0.28 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.78 1y0d h LYS 60 Cb -0.01 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.77 1y0d h LYS 60 CO -0.10 -0.15 -0.07 0.87 -2.27 0.00 0.00 179.45 177.73 1y0d h LYS 61 N -0.24 0.05 -0.44 1.90 1.57 -0.65 0.56 116.57 119.32 1y0d h LYS 61 Ca -0.01 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1y0d h LYS 61 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1y0d h LYS 61 CO 0.00 0.03 0.07 0.28 -0.57 0.00 0.00 179.45 179.26 1y0d h VAL 62 N 0.05 1.25 0.21 0.50 2.07 -0.45 -2.73 116.25 117.15 1y0d h VAL 62 Ca 0.25 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1y0d h VAL 62 Cb 0.39 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1y0d h VAL 62 CO -0.48 0.31 -0.18 0.00 0.02 0.00 0.00 177.57 177.24 1y0d h ALA 63 N 0.94 -0.39 -1.00 1.67 0.00 -0.25 -1.90 119.26 118.33 1y0d h ALA 63 Ca 0.13 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1y0d h ALA 63 Cb 0.39 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1y0d h ALA 63 CO 0.01 -0.74 0.62 -0.44 0.00 0.00 0.00 179.25 178.70 1y0d h ASP 64 N -0.41 0.85 0.06 0.00 5.19 -0.86 0.06 116.42 121.29 1y0d h ASP 64 Ca -0.01 0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 1y0d h ASP 64 Cb 0.38 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1y0d h ASP 64 CO -0.03 0.37 -0.43 0.00 -3.12 0.00 0.00 179.24 176.03 1y0d h ALA 65 N 1.60 0.91 -0.55 3.45 0.00 -1.16 -1.07 119.26 122.45 1y0d h ALA 65 Ca 0.54 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1y0d h ALA 65 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1y0d h ALA 65 CO -0.33 0.64 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1y0d h LEU 66 N 0.38 0.98 -0.14 0.00 3.38 -0.26 -1.46 115.31 118.19 1y0d h LEU 66 Ca 0.03 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1y0d h LEU 66 Cb 0.91 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1y0d h LEU 66 CO 0.08 1.07 0.08 0.74 0.09 0.00 0.00 178.44 180.50 1y0d h THR 67 N 0.89 1.08 -0.55 0.22 2.02 -0.92 -0.77 112.91 114.89 1y0d h THR 67 Ca 0.15 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1y0d h THR 67 Cb 0.61 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1y0d h THR 67 CO 0.04 0.07 0.36 -1.13 0.37 0.00 0.00 175.52 175.23 1y0d h ASN 68 N 0.15 0.55 0.52 4.18 -1.24 -1.05 -0.99 115.58 117.69 1y0d h ASN 68 Ca 0.05 -0.01 -0.19 0.00 0.71 0.00 0.00 56.30 56.87 1y0d h ASN 68 Cb 0.04 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1y0d h ASN 68 CO -0.01 0.38 -0.81 0.00 -1.29 0.00 0.00 177.43 175.70 1y0d h ALA 69 N 1.68 0.59 -0.31 1.57 0.00 -0.69 -1.91 119.26 120.19 1y0d h ALA 69 Ca 0.22 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1y0d h ALA 69 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y0d h ALA 69 CO -0.06 0.87 -0.23 0.28 0.00 0.00 0.00 179.25 180.11 1y0d h VAL 70 N 0.13 1.30 -0.22 0.00 2.07 -0.51 -0.19 116.25 118.83 1y0d h VAL 70 Ca -0.04 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1y0d h VAL 70 Cb 1.41 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1y0d h VAL 70 CO 0.13 0.44 0.03 0.00 0.02 0.00 0.00 177.57 178.18 1y0d h ALA 71 N 0.74 1.64 -0.67 1.67 0.00 -1.19 -2.62 119.26 118.83 1y0d h ALA 71 Ca 0.06 -0.12 -0.47 0.00 0.00 0.00 0.00 54.91 54.39 1y0d h ALA 71 Cb 0.78 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.15 1y0d h ALA 71 CO 0.06 0.28 -0.36 0.72 0.00 0.00 0.00 179.25 179.95 1y0d n HIS 72 N -4.38 2.33 -0.23 0.00 8.25 -0.72 -4.78 115.22 115.69 1y0d n HIS 72 Ca 0.00 -2.21 0.31 0.00 -0.26 0.00 0.00 57.72 55.56 1y0d n HIS 72 Cb 0.17 -0.56 0.73 0.00 1.12 0.00 0.00 29.99 31.45 1y0d n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0d h VAL 73 N 1.67 0.51 0.00 1.59 3.04 -0.63 0.23 116.25 122.65 1y0d h VAL 73 Ca 0.36 -0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.94 1y0d h VAL 73 Cb 1.39 0.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 1y0d h VAL 73 CO 0.79 0.00 -0.73 0.44 -1.01 0.00 0.00 177.57 177.06 1y0d h ASP 74 N 0.01 0.00 -0.68 3.17 3.32 -1.86 -3.37 116.42 117.01 1y0d h ASP 74 Ca 0.47 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.11 1y0d h ASP 74 Cb 1.89 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.02 1y0d h ASP 74 CO -0.01 0.47 -0.97 -0.67 -1.72 0.00 0.00 179.24 176.35 1y0d n ASP 75 N -3.11 3.27 -0.05 6.45 2.03 0.72 -4.95 116.55 120.91 1y0d n ASP 75 Ca -0.01 -2.95 -0.08 0.00 0.52 0.00 0.00 54.79 52.28 1y0d n ASP 75 Cb 0.74 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 1y0d n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0d h MET 76 N 2.44 -0.18 -1.03 -0.67 2.86 -1.46 0.26 114.93 117.15 1y0d h MET 76 Ca 0.12 0.01 0.26 0.00 -2.06 0.00 0.00 59.70 58.03 1y0d h MET 76 Cb 1.36 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.95 1y0d h MET 76 CO 0.50 -0.12 0.63 -1.35 1.06 0.00 0.00 176.91 177.63 1y0d h PRO 77 N -0.19 0.48 0.10 -0.22 0.11 -1.92 0.12 132.00 130.48 1y0d h PRO 77 Ca 0.14 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.00 1y0d h PRO 77 Cb 0.40 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1y0d h PRO 77 CO -0.36 0.32 -1.09 -0.91 -0.21 0.00 0.00 178.00 175.74 1y0d h ASN 78 N 0.49 0.34 0.31 -2.05 4.21 -1.67 -2.93 115.58 114.29 1y0d h ASN 78 Ca 0.64 -0.87 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 1y0d h ASN 78 Cb 1.38 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1y0d h ASN 78 CO -0.42 1.49 -0.09 0.00 -1.29 0.00 0.00 177.43 177.11 1y0d h ALA 79 N -0.04 1.31 -0.36 -0.83 0.00 0.53 -3.08 119.26 116.79 1y0d h ALA 79 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1y0d h ALA 79 Cb 1.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1y0d h ALA 79 CO 0.06 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1y0d n LEU 80 N -3.65 3.39 -0.18 0.00 4.77 0.31 -4.77 117.00 116.88 1y0d n LEU 80 Ca -0.02 -2.33 -0.03 0.00 -0.03 0.00 0.00 56.01 53.60 1y0d n LEU 80 Cb 0.21 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1y0d n LEU 80 CO 0.29 0.73 0.70 0.77 -1.33 0.00 0.00 177.39 178.55 1y0d h SER 81 N 2.21 -0.79 -0.84 -1.43 4.64 -1.42 0.70 113.55 116.63 1y0d h SER 81 Ca 0.00 0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1y0d h SER 81 Cb 1.00 0.44 -0.04 0.00 -0.31 0.00 0.00 62.40 63.49 1y0d h SER 81 CO 0.08 -0.25 0.55 0.00 -0.87 0.00 0.00 176.83 176.35 1y0d h ALA 82 N 1.29 1.44 -0.21 5.18 0.00 -1.86 -1.31 119.26 123.79 1y0d h ALA 82 Ca 0.25 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1y0d h ALA 82 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1y0d h ALA 82 CO -0.61 0.51 -0.54 -0.07 0.00 0.00 0.00 179.25 178.54 1y0d h LEU 83 N 1.10 0.68 -0.97 0.00 4.07 -1.60 -1.08 115.31 117.50 1y0d h LEU 83 Ca 0.32 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 57.95 1y0d h LEU 83 Cb -0.07 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.42 1y0d h LEU 83 CO -0.08 1.09 0.64 0.28 -1.08 0.00 0.00 178.44 179.28 1y0d h SER 84 N 0.48 1.06 0.68 -0.43 0.02 0.00 -1.98 113.55 113.38 1y0d h SER 84 Ca 0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1y0d h SER 84 Cb 1.09 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1y0d h SER 84 CO 0.11 0.73 -0.33 0.44 -1.14 0.00 0.00 176.83 176.64 1y0d h ASP 85 N 1.23 -0.78 -0.47 3.07 3.32 -1.16 -2.06 116.42 119.58 1y0d h ASP 85 Ca 0.39 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.53 1y0d h ASP 85 Cb -0.01 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 1y0d h ASP 85 CO -0.12 -0.42 -0.10 0.25 -1.72 0.00 0.00 179.24 177.12 1y0d h LEU 86 N -1.15 -0.41 -0.43 1.55 5.85 -1.06 0.20 115.31 119.86 1y0d h LEU 86 Ca -0.09 0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1y0d h LEU 86 Cb 0.73 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1y0d h LEU 86 CO 0.15 -0.15 -0.13 0.45 -0.34 0.00 0.00 178.44 178.43 1y0d h HIS 87 N 0.01 0.95 -0.28 1.25 3.86 -1.43 0.20 115.15 119.72 1y0d h HIS 87 Ca 0.23 -0.21 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1y0d h HIS 87 Cb 0.35 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 1y0d h HIS 87 CO -0.39 0.96 -0.40 0.00 0.86 0.00 0.00 177.93 178.97 1y0d h ALA 88 N 0.85 0.42 0.00 2.45 0.00 -0.85 0.51 119.26 122.64 1y0d h ALA 88 Ca 0.10 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1y0d h ALA 88 Cb 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1y0d h ALA 88 CO 0.05 0.53 -2.04 0.72 0.00 0.00 0.00 179.25 178.51 1y0d n HIS 89 N -4.17 0.00 -0.02 0.00 8.25 0.64 -4.54 115.22 115.39 1y0d n HIS 89 Ca -0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.39 1y0d n HIS 89 Cb 0.54 -0.65 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 1y0d n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0d n LYS 90 N -2.41 0.18 -0.08 -0.41 4.81 0.52 -4.84 118.16 115.94 1y0d n LYS 90 Ca -0.16 0.07 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 1y0d n LYS 90 Cb 0.79 -0.74 -0.04 0.00 0.02 0.00 0.00 35.03 35.06 1y0d n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0d h LEU 91 N -0.35 0.38 -1.45 3.14 3.38 -1.14 -3.48 115.31 115.80 1y0d h LEU 91 Ca 0.00 -0.27 -0.43 0.00 0.09 0.00 0.00 57.88 57.27 1y0d h LEU 91 Cb 0.35 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.03 1y0d h LEU 91 CO 0.00 0.55 -0.79 0.54 0.09 0.00 0.00 178.44 178.83 1y0d n ARG 92 N -4.69 -5.38 -2.29 1.13 1.74 0.18 -4.94 116.66 102.41 1y0d n ARG 92 Ca -0.04 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1y0d n ARG 92 Cb 0.20 -5.35 -0.03 0.00 -1.02 0.00 0.00 32.46 26.26 1y0d n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0d s VAL 93 N -3.51 3.31 0.24 1.55 1.01 -1.25 -4.96 120.40 116.78 1y0d s VAL 93 Ca 0.26 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 1y0d s VAL 93 Cb -0.13 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1y0d s VAL 93 CO 0.81 0.20 1.51 -0.62 0.00 0.00 0.00 175.10 176.99 1y0d s ASP 94 N 0.04 6.57 0.55 3.32 2.15 -1.26 -4.86 116.67 123.18 1y0d s ASP 94 Ca 0.53 2.72 0.33 0.00 0.43 0.00 0.00 52.55 56.57 1y0d s ASP 94 Cb -0.35 -2.62 1.49 0.00 -0.30 0.00 0.00 42.92 41.14 1y0d s ASP 94 CO 0.40 -0.78 1.82 -0.65 -0.17 0.00 0.00 175.17 175.79 1y0d h PRO 95 N 5.38 0.00 -0.25 4.34 0.11 -2.00 -1.59 132.00 138.00 1y0d h PRO 95 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1y0d h PRO 95 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1y0d h PRO 95 CO 0.81 0.00 0.07 0.28 -0.21 0.00 0.00 178.00 178.95 1y0d h VAL 96 N 0.00 1.12 0.00 3.15 2.07 -2.04 -2.39 116.25 118.16 1y0d h VAL 96 Ca 0.45 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1y0d h VAL 96 Cb 1.93 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1y0d h VAL 96 CO -0.00 0.14 -0.09 0.78 0.02 0.00 0.00 177.57 178.42 1y0d h ASN 97 N 0.35 0.00 -0.09 0.57 4.21 -1.65 -2.98 115.58 115.99 1y0d h ASN 97 Ca 0.09 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1y0d h ASN 97 Cb 0.12 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1y0d h ASN 97 CO -0.01 0.09 -0.06 -0.26 -1.29 0.00 0.00 177.43 175.90 1y0d h PHE 98 N 0.00 0.37 -0.00 1.19 0.04 -1.61 -2.21 116.94 114.71 1y0d h PHE 98 Ca -0.00 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1y0d h PHE 98 Cb 0.34 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1y0d h PHE 98 CO 0.00 0.42 -0.52 0.87 -0.60 0.00 0.00 178.31 178.48 1y0d h LYS 99 N 0.34 0.01 -0.08 1.51 1.57 -1.70 -1.97 116.57 116.25 1y0d h LYS 99 Ca 0.07 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 1y0d h LYS 99 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1y0d h LYS 99 CO 0.02 0.53 -0.67 -0.07 -0.57 0.00 0.00 179.45 178.68 1y0d h LEU 100 N 0.01 0.72 -0.07 2.94 3.38 -1.51 -2.43 115.31 118.34 1y0d h LEU 100 Ca -0.00 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1y0d h LEU 100 Cb 0.93 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1y0d h LEU 100 CO 0.07 1.29 -0.01 0.25 0.09 0.00 0.00 178.44 180.13 1y0d h LEU 101 N 0.21 0.14 -0.28 1.67 6.46 -1.46 -2.70 115.31 119.34 1y0d h LEU 101 Ca -0.06 -0.34 0.07 0.00 -0.12 0.00 0.00 57.88 57.43 1y0d h LEU 101 Cb 1.33 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.15 1y0d h LEU 101 CO 0.14 0.44 -0.24 0.28 -0.62 0.00 0.00 178.44 178.44 1y0d h SER 102 N -0.17 -0.76 -0.33 1.25 0.02 -1.41 -1.02 113.55 111.12 1y0d h SER 102 Ca 0.02 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1y0d h SER 102 Cb 0.38 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 1y0d h SER 102 CO 0.01 -0.27 -0.15 -0.74 -1.14 0.00 0.00 176.83 174.54 1y0d h HIS 103 N -0.22 -0.36 0.00 3.45 -0.00 -1.45 -1.62 115.15 114.95 1y0d h HIS 103 Ca 0.15 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1y0d h HIS 103 Cb 0.45 0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1y0d h HIS 103 CO -0.41 -0.22 -0.06 0.00 -0.00 0.00 0.00 177.93 177.24 1y0d h LEU 105 N 0.00 0.80 0.14 0.00 5.85 -0.31 -2.14 115.31 119.66 1y0d h LEU 105 Ca -0.00 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1y0d h LEU 105 Cb 0.12 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1y0d h LEU 105 CO 0.01 1.39 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.36 1y0d h LEU 106 N 0.40 -0.16 -0.56 2.25 3.38 -0.44 -1.43 115.31 118.75 1y0d h LEU 106 Ca -0.08 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.83 1y0d h LEU 106 Cb 1.54 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.24 1y0d h LEU 106 CO 0.17 0.08 0.02 0.58 0.09 0.00 0.00 178.44 179.39 1y0d h VAL 107 N -0.41 0.56 -0.60 1.22 2.07 -1.21 0.26 116.25 118.16 1y0d h VAL 107 Ca -0.02 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1y0d h VAL 107 Cb 0.32 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1y0d h VAL 107 CO 0.03 0.03 0.37 0.74 0.02 0.00 0.00 177.57 178.76 1y0d h THR 108 N 0.14 1.09 -0.36 2.57 2.02 -1.23 -2.34 112.91 114.80 1y0d h THR 108 Ca 0.29 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 1y0d h THR 108 Cb 0.45 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1y0d h THR 108 CO -0.46 0.14 -0.20 -0.07 0.37 0.00 0.00 175.52 175.29 1y0d h LEU 109 N 0.74 0.80 -0.15 2.58 3.38 -0.08 -2.82 115.31 119.76 1y0d h LEU 109 Ca 0.24 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1y0d h LEU 109 Cb -0.00 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1y0d h LEU 109 CO -0.09 1.04 -0.17 0.00 0.09 0.00 0.00 178.44 179.32 1y0d h ALA 110 N 0.78 -0.07 0.00 1.53 0.00 -0.23 0.35 119.26 121.62 1y0d h ALA 110 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1y0d h ALA 110 Cb 0.75 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1y0d h ALA 110 CO 0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 179.25 178.64 1y0d h ALA 111 N 0.87 1.30 0.00 0.00 0.00 -1.44 -3.19 119.26 116.79 1y0d h ALA 111 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y0d h ALA 111 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1y0d h ALA 111 CO -0.27 0.08 -0.96 0.72 0.00 0.00 0.00 179.25 178.81 1y0d n HIS 112 N -3.59 0.00 -3.05 0.00 -0.00 -0.80 -4.77 115.22 103.01 1y0d n HIS 112 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 1y0d n HIS 112 Cb 0.17 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.99 30.03 1y0d n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y0d n LEU 113 N -1.53 3.04 -0.05 2.41 4.77 0.12 -4.95 117.00 120.79 1y0d n LEU 113 Ca -0.00 -5.41 -0.14 0.00 -0.03 0.00 0.00 56.01 50.42 1y0d n LEU 113 Cb 0.14 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1y0d n LEU 113 CO 0.13 2.32 0.50 1.55 -1.33 0.00 0.00 177.39 180.56 1y0d h PRO 114 N 3.04 -0.48 -0.56 3.23 0.13 -1.79 0.06 132.00 135.63 1y0d h PRO 114 Ca 0.12 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.33 1y0d h PRO 114 Cb 0.69 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1y0d h PRO 114 CO 0.69 -0.32 0.37 0.00 -0.23 0.00 0.00 178.00 178.52 1y0d h ALA 115 N -0.26 1.80 0.00 -0.56 0.00 -1.92 -2.72 119.26 115.61 1y0d h ALA 115 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y0d h ALA 115 Cb 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1y0d h ALA 115 CO -0.48 0.11 -0.63 0.39 0.00 0.00 0.00 179.25 178.64 1y0d n GLU 116 N -4.47 0.08 -1.80 0.00 4.71 -0.83 -4.50 120.64 113.83 1y0d n GLU 116 Ca 0.07 0.01 -0.35 0.00 -0.01 0.00 0.00 57.16 56.89 1y0d n GLU 116 Cb 0.21 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.07 1y0d n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1y0d n PHE 117 N -1.65 2.19 -1.41 -0.32 7.35 -0.05 -4.76 117.46 118.81 1y0d n PHE 117 Ca 0.05 -2.48 -0.30 0.00 -0.76 0.00 0.00 57.45 53.97 1y0d n PHE 117 Cb 0.36 -1.66 0.12 0.00 0.35 0.00 0.00 39.48 38.66 1y0d n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0d s THR 118 N -1.56 2.64 0.24 -2.13 -4.23 -1.26 -4.71 115.64 104.64 1y0d s THR 118 Ca 0.56 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 61.24 1y0d s THR 118 Cb 0.26 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1y0d s THR 118 CO -0.14 -0.27 1.75 -0.65 -0.54 0.00 0.00 174.62 174.76 1y0d h PRO 119 N -1.39 0.49 -0.13 3.99 0.11 -1.98 0.27 132.00 133.37 1y0d h PRO 119 Ca -0.49 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 1y0d h PRO 119 Cb 1.29 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y0d h PRO 119 CO 0.58 0.33 -0.50 0.00 -0.21 0.00 0.00 178.00 178.20 1y0d h ALA 120 N 1.52 0.92 -0.12 -0.75 0.00 -1.97 -1.49 119.26 117.37 1y0d h ALA 120 Ca 0.40 -0.48 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1y0d h ALA 120 Cb 0.57 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1y0d h ALA 120 CO -0.36 0.66 -0.78 0.28 0.00 0.00 0.00 179.25 179.04 1y0d h VAL 121 N 0.27 1.31 -0.34 0.00 2.07 -1.39 -2.54 116.25 115.64 1y0d h VAL 121 Ca 0.01 -2.05 0.02 0.00 0.82 0.00 0.00 66.70 65.50 1y0d h VAL 121 Cb 0.97 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1y0d h VAL 121 CO 0.08 0.64 0.17 -0.74 0.02 0.00 0.00 177.57 177.75 1y0d h HIS 122 N 0.44 0.32 -0.42 1.57 6.17 -0.44 -0.12 115.15 122.68 1y0d h HIS 122 Ca -0.05 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 1y0d h HIS 122 Cb 1.40 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 31.21 1y0d h HIS 122 CO 0.07 0.18 0.24 0.00 0.71 0.00 0.00 177.93 179.14 1y0d h ALA 123 N 1.17 0.53 -0.07 5.26 0.00 -1.22 -1.90 119.26 123.02 1y0d h ALA 123 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1y0d h ALA 123 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1y0d h ALA 123 CO -0.09 0.04 0.03 0.77 0.00 0.00 0.00 179.25 180.00 1y0d h SER 124 N 0.55 0.10 -0.75 0.00 0.02 -1.12 -2.45 113.55 109.89 1y0d h SER 124 Ca 0.15 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1y0d h SER 124 Cb 0.02 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1y0d h SER 124 CO -0.03 0.21 0.48 -0.07 -1.14 0.00 0.00 176.83 176.29 1y0d h LEU 125 N -0.02 0.88 -0.07 5.07 3.38 -0.99 -1.81 115.31 121.75 1y0d h LEU 125 Ca 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1y0d h LEU 125 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1y0d h LEU 125 CO -0.00 0.65 -0.07 -0.78 0.09 0.00 0.00 178.44 178.33 1y0d h ASP 126 N 1.02 -0.22 -0.49 -0.43 3.58 -1.20 -0.74 116.42 117.93 1y0d h ASP 126 Ca 0.27 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 1y0d h ASP 126 Cb -0.09 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1y0d h ASP 126 CO -0.06 -0.10 0.25 0.11 -2.88 0.00 0.00 179.24 176.57 1y0d h LYS 127 N -0.09 0.73 -0.04 0.28 1.57 -1.23 -0.90 116.57 116.90 1y0d h LYS 127 Ca 0.05 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1y0d h LYS 127 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1y0d h LYS 127 CO -0.12 0.57 0.00 0.35 -0.57 0.00 0.00 179.45 179.68 1y0d h PHE 128 N 0.74 0.07 -0.55 -1.35 3.57 -0.98 0.15 116.94 118.60 1y0d h PHE 128 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1y0d h PHE 128 Cb 0.08 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1y0d h PHE 128 CO 0.01 0.35 0.22 -0.07 -2.23 0.00 0.00 178.31 176.59 1y0d h LEU 129 N -0.23 0.72 -0.38 0.59 3.38 -0.89 0.84 115.31 119.34 1y0d h LEU 129 Ca 0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1y0d h LEU 129 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1y0d h LEU 129 CO 0.00 0.65 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 1y0d h ALA 130 N 1.46 0.51 -0.46 1.53 0.00 -0.95 -1.06 119.26 120.30 1y0d h ALA 130 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0d h ALA 130 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1y0d h ALA 130 CO -0.02 0.32 0.29 0.77 0.00 0.00 0.00 179.25 180.61 1y0d h SER 131 N 0.50 0.53 -0.79 0.00 0.02 0.12 -1.02 113.55 112.91 1y0d h SER 131 Ca 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1y0d h SER 131 Cb 0.52 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 1y0d h SER 131 CO 0.03 0.41 0.44 0.58 -1.14 0.00 0.00 176.83 177.14 1y0d h VAL 132 N 0.61 1.24 -0.39 2.27 2.07 -0.71 -1.93 116.25 119.42 1y0d h VAL 132 Ca 0.17 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1y0d h VAL 132 Cb -0.04 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1y0d h VAL 132 CO -0.03 0.26 -0.05 0.28 0.02 0.00 0.00 177.57 178.05 1y0d h SER 133 N 1.12 0.71 -0.21 0.57 0.02 -0.71 -1.42 113.55 113.64 1y0d h SER 133 Ca 0.28 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1y0d h SER 133 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1y0d h SER 133 CO -0.05 0.88 0.07 0.74 -1.14 0.00 0.00 176.83 177.33 1y0d h THR 134 N 0.53 0.94 -0.27 -2.27 2.02 -0.99 -1.22 112.91 111.64 1y0d h THR 134 Ca 0.10 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1y0d h THR 134 Cb 0.55 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1y0d h THR 134 CO 0.03 0.03 0.15 0.58 0.37 0.00 0.00 175.52 176.68 1y0d h VAL 135 N 0.16 1.12 0.00 3.16 2.07 -1.24 0.16 116.25 121.68 1y0d h VAL 135 Ca 0.09 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1y0d h VAL 135 Cb 0.07 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1y0d h VAL 135 CO -0.10 0.12 -0.05 -0.07 0.02 0.00 0.00 177.57 177.49 1y0d h LEU 136 N 0.33 0.00 -2.93 2.57 3.38 -0.91 -2.46 115.31 115.29 1y0d h LEU 136 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1y0d h LEU 136 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y0d h LEU 136 CO -0.02 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1y0d n THR 137 N -3.40 1.02 0.22 0.22 -2.24 -0.49 -4.53 114.28 105.07 1y0d n THR 137 Ca -0.02 -1.02 0.08 0.00 -2.27 0.00 0.00 64.05 60.82 1y0d n THR 137 Cb 0.19 0.49 0.48 0.00 -2.10 0.00 0.00 70.33 69.39 1y0d n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y0d h SER 138 N 1.30 0.00 -0.61 3.42 4.64 -0.47 -3.10 113.55 118.73 1y0d h SER 138 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1y0d h SER 138 Cb 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 1y0d h SER 138 CO 0.00 0.27 0.08 0.29 -0.87 0.00 0.00 176.83 176.60 1y0d n LYS 139 N -3.67 4.53 0.00 4.77 5.02 -1.26 -5.10 118.16 122.44 1y0d n LYS 139 Ca -0.01 -3.08 0.08 0.00 -2.02 0.00 0.00 58.31 53.28 1y0d n LYS 139 Cb 0.39 -2.25 0.45 0.00 -0.02 0.00 0.00 35.03 33.60 1y0d n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54