#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d60 s LEU 2 N 0.00 3.73 0.84 6.55 1.43 -1.26 -5.03 118.68 124.94 2d60 s LEU 2 Ca 0.00 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 2d60 s LEU 2 Cb 0.00 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.77 2d60 s LEU 2 CO 0.00 -1.16 1.14 -0.94 0.23 0.00 0.00 176.35 175.63 2d60 s SER 3 N 2.43 4.17 0.25 2.29 1.04 -1.26 -4.86 113.70 117.77 2d60 s SER 3 Ca 0.49 0.96 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 2d60 s SER 3 Cb -0.10 -1.54 0.37 0.00 0.10 0.00 0.00 66.02 64.85 2d60 s SER 3 CO 0.27 -2.13 1.86 -0.65 0.98 0.00 0.00 173.24 173.57 2d60 h PRO 4 N -1.21 1.02 -0.82 4.02 0.11 -1.99 -1.62 132.00 131.51 2d60 h PRO 4 Ca -0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2d60 h PRO 4 Cb 1.32 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2d60 h PRO 4 CO 0.63 0.67 0.38 0.00 -0.21 0.00 0.00 178.00 179.48 2d60 h ALA 5 N 1.43 1.06 -0.51 -0.75 0.00 -1.99 -1.20 119.26 117.30 2d60 h ALA 5 Ca 0.40 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2d60 h ALA 5 Cb 0.18 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2d60 h ALA 5 CO -0.18 0.63 0.18 -0.44 0.00 0.00 0.00 179.25 179.45 2d60 h ASP 6 N 1.17 0.19 -0.67 0.00 3.32 -1.79 0.10 116.42 118.73 2d60 h ASP 6 Ca 0.28 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 2d60 h ASP 6 Cb 0.14 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2d60 h ASP 6 CO -0.03 0.13 0.25 0.11 -1.72 0.00 0.00 179.24 177.98 2d60 h LYS 7 N 0.36 1.05 -0.21 3.56 1.57 -0.38 -0.20 116.57 122.32 2d60 h LYS 7 Ca 0.24 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2d60 h LYS 7 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2d60 h LYS 7 CO -0.24 0.87 0.08 1.15 -0.57 0.00 0.00 179.45 180.74 2d60 h THR 8 N 1.02 1.17 -0.33 -0.16 2.02 -1.00 -2.06 112.91 113.56 2d60 h THR 8 Ca 0.23 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2d60 h THR 8 Cb 0.24 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2d60 h THR 8 CO -0.01 0.16 0.21 0.78 0.37 0.00 0.00 175.52 177.03 2d60 h ASN 9 N 0.18 0.38 -0.25 4.18 2.35 -0.49 -1.33 115.58 120.60 2d60 h ASN 9 Ca 0.07 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2d60 h ASN 9 Cb 0.18 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2d60 h ASN 9 CO -0.01 0.29 0.08 0.58 -1.65 0.00 0.00 177.43 176.73 2d60 h VAL 10 N 0.44 1.19 -0.72 2.81 2.07 -1.04 -1.60 116.25 119.40 2d60 h VAL 10 Ca 0.12 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2d60 h VAL 10 Cb -0.04 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2d60 h VAL 10 CO -0.03 0.20 0.48 0.11 0.02 0.00 0.00 177.57 178.35 2d60 h LYS 11 N 0.25 0.94 0.41 1.57 1.57 -1.24 0.77 116.57 120.84 2d60 h LYS 11 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2d60 h LYS 11 Cb 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2d60 h LYS 11 CO -0.00 0.62 -0.24 0.00 -0.57 0.00 0.00 179.45 179.26 2d60 h ALA 12 N 1.26 -0.61 -0.50 3.86 0.00 -1.16 0.14 119.26 122.25 2d60 h ALA 12 Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2d60 h ALA 12 Cb -0.11 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2d60 h ALA 12 CO -0.06 -0.85 0.04 0.00 0.00 0.00 0.00 179.25 178.38 2d60 h ALA 13 N -0.04 0.67 0.00 0.00 0.00 -1.09 -2.81 119.26 115.99 2d60 h ALA 13 Ca -0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2d60 h ALA 13 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2d60 h ALA 13 CO 0.05 0.45 -0.70 2.35 0.00 0.00 0.00 179.25 181.40 2d60 h TRP 14 N 0.73 0.00 -0.70 0.00 2.91 -0.84 -2.90 115.95 115.15 2d60 h TRP 14 Ca 0.15 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 2d60 h TRP 14 Cb 0.46 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 2d60 h TRP 14 CO 0.03 0.53 0.31 0.78 -1.03 0.00 0.00 178.44 179.07 2d60 h GLY 15 N 3.52 1.07 2.00 2.65 0.00 -0.58 -1.36 103.07 110.38 2d60 h GLY 15 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2d60 h GLY 15 CO 0.06 0.50 -0.18 0.50 0.00 0.00 0.00 176.54 177.43 2d60 h LYS 16 N 0.99 0.00 -0.43 4.80 1.79 -1.30 -2.71 116.57 119.71 2d60 h LYS 16 Ca 0.24 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.74 2d60 h LYS 16 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2d60 h LYS 16 CO -0.03 0.18 0.24 0.28 -1.08 0.00 0.00 179.45 179.04 2d60 h VAL 17 N 0.00 1.01 0.00 0.50 2.07 -1.17 -3.45 116.25 115.20 2d60 h VAL 17 Ca -0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2d60 h VAL 17 Cb 0.34 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2d60 h VAL 17 CO 0.02 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2d60 n GLY 18 N -1.22 2.81 0.00 2.17 0.00 -1.02 -1.32 105.19 106.60 2d60 n GLY 18 Ca 0.02 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2d60 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d60 n ALA 19 N 9.65 1.93 1.51 4.61 0.00 -1.26 -2.49 120.51 134.46 2d60 n ALA 19 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2d60 n ALA 19 Cb 0.00 -1.23 0.51 0.00 0.00 0.00 0.00 19.45 18.73 2d60 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2d60 n HIS 20 N -1.13 0.09 0.14 0.00 -0.00 -0.43 -4.55 115.22 109.34 2d60 n HIS 20 Ca 0.09 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.72 57.62 2d60 n HIS 20 Cb 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.00 2d60 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d60 h ALA 21 N 4.06 -0.64 -0.74 -1.41 0.00 -1.64 0.16 119.26 119.06 2d60 h ALA 21 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2d60 h ALA 21 Cb 0.36 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 2d60 h ALA 21 CO 0.00 -0.91 -0.54 0.78 0.00 0.00 0.00 179.25 178.58 2d60 h GLY 22 N -0.61 -1.00 0.84 0.00 0.00 -1.84 -0.22 103.07 100.24 2d60 h GLY 22 Ca 0.01 0.79 0.04 0.00 0.00 0.00 0.00 47.33 48.17 2d60 h GLY 22 CO -0.16 -0.07 0.47 -2.09 0.00 0.00 0.00 176.54 174.70 2d60 h GLU 23 N -0.14 0.89 -0.26 4.80 4.81 -1.45 -0.97 114.58 122.25 2d60 h GLU 23 Ca 0.12 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 2d60 h GLU 23 Cb 0.45 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2d60 h GLU 23 CO -0.77 0.59 -0.31 1.88 -0.73 0.00 0.00 179.01 179.67 2d60 h TYR 24 N 0.91 0.82 -0.29 0.92 0.99 -0.28 -1.33 116.97 118.72 2d60 h TYR 24 Ca 0.31 -0.26 0.07 0.00 2.00 0.00 0.00 58.73 60.85 2d60 h TYR 24 Cb 0.05 -0.17 -0.08 0.00 1.00 0.00 0.00 36.73 37.53 2d60 h TYR 24 CO -0.04 1.00 -0.27 0.78 -0.00 0.00 0.00 178.16 179.64 2d60 h GLY 25 N 0.41 -0.19 0.56 3.88 0.00 -0.84 0.53 103.07 107.42 2d60 h GLY 25 Ca 0.04 0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.77 2d60 h GLY 25 CO 0.07 -0.21 0.19 0.00 0.00 0.00 0.00 176.54 176.60 2d60 h ALA 26 N 0.78 0.62 -0.25 3.60 0.00 -1.07 -1.98 119.26 120.95 2d60 h ALA 26 Ca 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2d60 h ALA 26 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2d60 h ALA 26 CO -0.44 -0.20 0.15 1.49 0.00 0.00 0.00 179.25 180.26 2d60 h GLU 27 N 0.38 0.35 -0.62 0.00 4.81 -0.89 -0.93 114.58 117.67 2d60 h GLU 27 Ca 0.24 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 2d60 h GLU 27 Cb 0.24 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2d60 h GLU 27 CO -0.23 0.27 0.24 0.00 -0.73 0.00 0.00 179.01 178.56 2d60 h ALA 28 N 1.05 0.81 -0.65 2.92 0.00 -0.63 -0.05 119.26 122.71 2d60 h ALA 28 Ca 0.09 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2d60 h ALA 28 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2d60 h ALA 28 CO -0.02 -0.18 0.09 -0.07 0.00 0.00 0.00 179.25 179.08 2d60 h LEU 29 N 0.42 1.04 -0.42 0.00 3.38 -0.97 0.11 115.31 118.87 2d60 h LEU 29 Ca 0.32 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2d60 h LEU 29 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2d60 h LEU 29 CO -0.31 1.04 -0.26 -0.08 0.09 0.00 0.00 178.44 178.92 2d60 h GLU 30 N 1.01 0.92 -0.56 1.13 4.81 -0.56 -0.11 114.58 121.22 2d60 h GLU 30 Ca 0.20 -0.43 0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2d60 h GLU 30 Cb 0.45 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2d60 h GLU 30 CO 0.01 1.08 0.27 0.00 -0.73 0.00 0.00 179.01 179.65 2d60 h ARG 31 N 0.74 0.50 -0.20 1.92 3.08 -0.72 -1.37 114.38 118.34 2d60 h ARG 31 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2d60 h ARG 31 Cb 0.84 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2d60 h ARG 31 CO 0.07 0.33 0.10 1.98 -1.07 0.00 0.00 179.97 181.38 2d60 h MET 32 N 0.51 0.20 -0.21 0.04 4.05 -0.25 0.24 114.93 119.51 2d60 h MET 32 Ca 0.26 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.56 2d60 h MET 32 Cb 0.20 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2d60 h MET 32 CO -0.20 0.14 -0.31 0.74 0.23 0.00 0.00 176.91 177.51 2d60 h PHE 33 N 0.21 0.49 0.19 1.39 0.04 -0.79 0.22 116.94 118.70 2d60 h PHE 33 Ca 0.08 -0.12 -0.29 0.00 2.80 0.00 0.00 57.97 60.44 2d60 h PHE 33 Cb 0.02 -0.12 0.03 0.00 2.20 0.00 0.00 35.95 38.08 2d60 h PHE 33 CO -0.09 0.70 -1.25 -0.07 -0.60 0.00 0.00 178.31 177.00 2d60 h LEU 34 N 0.37 0.77 -0.12 1.54 3.38 -1.18 -3.23 115.31 116.84 2d60 h LEU 34 Ca 0.05 -0.90 -0.24 0.00 0.09 0.00 0.00 57.88 56.88 2d60 h LEU 34 Cb 0.74 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2d60 h LEU 34 CO 0.06 1.61 -0.94 0.28 0.09 0.00 0.00 178.44 179.53 2d60 h SER 35 N 0.05 0.75 -2.75 -0.43 0.02 -0.41 -3.39 113.55 107.39 2d60 h SER 35 Ca -0.21 -0.57 -0.61 0.00 -0.84 0.00 0.00 61.79 59.56 2d60 h SER 35 Cb 1.97 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.88 2d60 h SER 35 CO 0.24 1.37 -0.72 0.49 -1.14 0.00 0.00 176.83 177.07 2d60 n PHE 36 N -3.83 1.86 0.01 3.45 3.01 0.76 -4.99 117.46 117.74 2d60 n PHE 36 Ca -0.08 -3.96 0.22 0.00 1.01 0.00 0.00 57.45 54.63 2d60 n PHE 36 Cb 0.83 -0.34 0.73 0.00 -0.01 0.00 0.00 39.48 40.69 2d60 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2d60 h PRO 37 N 5.31 0.00 -0.06 -1.08 0.11 -1.73 -0.68 132.00 133.86 2d60 h PRO 37 Ca 0.19 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 2d60 h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2d60 h PRO 37 CO 0.61 0.00 0.08 1.79 -0.21 0.00 0.00 178.00 180.27 2d60 h THR 38 N 0.00 0.46 0.00 -1.15 1.35 -1.92 -1.75 112.91 109.90 2d60 h THR 38 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.10 2d60 h THR 38 Cb 1.15 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2d60 h THR 38 CO -0.00 0.00 -0.07 0.71 -0.25 0.00 0.00 175.52 175.91 2d60 h THR 39 N 0.00 0.29 0.00 6.82 1.35 -1.44 -2.10 112.91 117.82 2d60 h THR 39 Ca 0.03 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2d60 h THR 39 Cb 0.18 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2d60 h THR 39 CO -0.00 0.07 -0.13 0.11 -0.25 0.00 0.00 175.52 175.32 2d60 h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.50 -2.42 116.57 118.94 2d60 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2d60 h LYS 40 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2d60 h LYS 40 CO 0.01 0.13 0.16 1.79 -0.57 0.00 0.00 179.45 180.97 2d60 h THR 41 N 0.00 0.01 -0.00 -0.16 1.35 -1.55 0.43 112.91 112.98 2d60 h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2d60 h THR 41 Cb 0.44 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2d60 h THR 41 CO 0.02 0.00 -0.34 -1.22 -0.25 0.00 0.00 175.52 173.73 2d60 n TYR 42 N -3.00 0.00 -2.42 4.73 4.01 -0.91 -4.40 117.16 115.17 2d60 n TYR 42 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 2d60 n TYR 42 Cb 0.22 -0.31 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 2d60 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2d60 n PHE 43 N -1.44 2.30 0.32 -0.72 3.01 0.15 -4.81 117.46 116.27 2d60 n PHE 43 Ca 0.07 -2.47 0.15 0.00 1.01 0.00 0.00 57.45 56.21 2d60 n PHE 43 Cb 0.33 -0.26 0.64 0.00 -0.01 0.00 0.00 39.48 40.18 2d60 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2d60 h PRO 44 N 2.49 0.00 -0.00 -1.08 0.13 -1.76 -1.95 132.00 129.83 2d60 h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2d60 h PRO 44 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2d60 h PRO 44 CO 0.60 0.00 -0.04 -2.39 -0.23 0.00 0.00 178.00 175.93 2d60 n HIS 45 N -2.73 0.00 -3.83 1.56 1.44 -1.26 -4.86 115.22 105.55 2d60 n HIS 45 Ca 0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.37 2d60 n HIS 45 Cb 0.25 -0.41 -0.05 0.00 0.12 0.00 0.00 29.99 29.90 2d60 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d60 s PHE 46 N -2.86 3.58 -0.29 -1.40 2.99 -0.73 -5.03 117.98 114.23 2d60 s PHE 46 Ca 0.18 0.51 -0.29 0.00 0.00 0.00 0.00 56.93 57.34 2d60 s PHE 46 Cb 0.19 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 41.26 2d60 s PHE 46 CO 0.52 0.66 1.50 0.34 -0.00 0.00 0.00 175.22 178.24 2d60 s ASP 47 N -1.56 6.42 0.00 1.36 2.15 -1.26 -4.86 116.67 118.92 2d60 s ASP 47 Ca 0.24 1.32 0.24 0.00 0.43 0.00 0.00 52.55 54.78 2d60 s ASP 47 Cb -0.13 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.26 2d60 s ASP 47 CO 0.13 -1.27 1.33 0.18 -0.17 0.00 0.00 175.17 175.37 2d60 n LEU 48 N 8.41 3.07 -4.68 -1.34 4.77 -1.26 -4.34 117.00 121.64 2d60 n LEU 48 Ca 0.17 -1.12 -0.36 0.00 -0.03 0.00 0.00 56.01 54.67 2d60 n LEU 48 Cb 0.46 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2d60 n LEU 48 CO 0.65 0.56 0.73 -1.54 -1.33 0.00 0.00 177.39 176.46 2d60 n SER 49 N 1.34 1.27 -4.66 -1.43 3.41 -1.26 -4.88 113.62 107.40 2d60 n SER 49 Ca 0.16 0.73 -0.46 0.00 -0.26 0.00 0.00 58.87 59.04 2d60 n SER 49 Cb 0.59 -1.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.02 2d60 n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2d60 n HIS 50 N -2.32 2.16 -1.00 7.33 -0.00 -1.26 -1.70 115.22 118.44 2d60 n HIS 50 Ca 0.14 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.68 2d60 n HIS 50 Cb 0.49 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 2d60 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2d60 n GLY 51 N 2.93 0.92 3.70 1.57 0.00 -1.26 -5.01 105.19 108.04 2d60 n GLY 51 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2d60 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d60 n SER 52 N -0.00 2.30 0.08 1.61 3.41 -0.69 -4.86 113.62 115.46 2d60 n SER 52 Ca 0.00 1.01 -0.07 0.00 -0.26 0.00 0.00 58.87 59.56 2d60 n SER 52 Cb 0.00 -1.51 0.08 0.00 -0.26 0.00 0.00 64.21 62.52 2d60 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d60 h ALA 53 N 1.60 0.74 -0.59 7.33 0.00 -1.91 -2.35 119.26 124.08 2d60 h ALA 53 Ca -0.49 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 53.90 2d60 h ALA 53 Cb 1.31 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2d60 h ALA 53 CO 0.57 0.77 0.29 1.96 0.00 0.00 0.00 179.25 182.84 2d60 h GLN 54 N 0.19 0.52 -0.11 0.00 4.20 -1.90 0.33 115.11 118.33 2d60 h GLN 54 Ca -0.02 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 2d60 h GLN 54 Cb 1.22 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2d60 h GLN 54 CO 0.11 0.34 -0.60 0.28 -0.67 0.00 0.00 178.83 178.28 2d60 h VAL 55 N 0.53 1.36 -0.32 -0.54 2.07 -1.70 -1.31 116.25 116.34 2d60 h VAL 55 Ca 0.28 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.79 2d60 h VAL 55 Cb 0.23 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2d60 h VAL 55 CO -0.21 0.58 -0.09 0.11 0.02 0.00 0.00 177.57 177.98 2d60 h LYS 56 N 0.29 0.63 -0.26 1.57 1.57 -1.16 0.12 116.57 119.34 2d60 h LYS 56 Ca -0.01 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 2d60 h LYS 56 Cb 1.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2d60 h LYS 56 CO 0.10 0.82 0.10 0.78 -0.57 0.00 0.00 179.45 180.68 2d60 h GLY 57 N 0.41 0.42 1.00 3.86 0.00 -0.90 -1.07 103.07 106.78 2d60 h GLY 57 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2d60 h GLY 57 CO 0.03 0.22 0.31 0.84 0.00 0.00 0.00 176.54 177.95 2d60 h HIS 58 N 0.26 0.90 -0.59 5.60 -0.00 -1.19 -1.34 115.15 118.79 2d60 h HIS 58 Ca 0.09 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.53 2d60 h HIS 58 Cb 0.19 -0.28 -0.09 0.00 -0.00 0.00 0.00 27.41 27.24 2d60 h HIS 58 CO -0.01 0.67 0.10 0.78 -0.00 0.00 0.00 177.93 179.48 2d60 h GLY 59 N 0.86 0.72 1.35 5.26 0.00 -0.49 0.04 103.07 110.82 2d60 h GLY 59 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 2d60 h GLY 59 CO -0.03 -0.13 0.03 1.70 0.00 0.00 0.00 176.54 178.11 2d60 h LYS 60 N 0.22 0.80 -0.55 4.80 3.64 -0.75 -0.89 116.57 123.85 2d60 h LYS 60 Ca 0.31 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2d60 h LYS 60 Cb 0.46 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2d60 h LYS 60 CO -0.42 0.79 0.11 0.87 -2.27 0.00 0.00 179.45 178.54 2d60 h LYS 61 N 0.76 0.89 -0.05 1.90 1.57 0.00 -0.55 116.57 121.08 2d60 h LYS 61 Ca 0.15 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2d60 h LYS 61 Cb 0.42 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2d60 h LYS 61 CO 0.02 0.85 0.02 0.28 -0.57 0.00 0.00 179.45 180.04 2d60 h VAL 62 N 0.78 1.17 -0.35 0.50 2.07 -0.79 -1.57 116.25 118.06 2d60 h VAL 62 Ca 0.17 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2d60 h VAL 62 Cb 0.38 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2d60 h VAL 62 CO 0.01 0.14 0.02 0.00 0.02 0.00 0.00 177.57 177.76 2d60 h ALA 63 N 0.81 0.34 -0.08 1.67 0.00 -1.12 -1.11 119.26 119.77 2d60 h ALA 63 Ca 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2d60 h ALA 63 Cb 0.22 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2d60 h ALA 63 CO -0.00 -0.38 -0.17 -0.44 0.00 0.00 0.00 179.25 178.26 2d60 h ASP 64 N 0.13 0.12 -0.26 0.00 3.32 -0.95 0.62 116.42 119.40 2d60 h ASP 64 Ca 0.17 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2d60 h ASP 64 Cb 0.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2d60 h ASP 64 CO -0.27 0.31 -0.31 0.00 -1.72 0.00 0.00 179.24 177.26 2d60 h ALA 65 N 1.70 0.79 -0.49 3.45 0.00 -0.78 -0.73 119.26 123.20 2d60 h ALA 65 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2d60 h ALA 65 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2d60 h ALA 65 CO 0.03 0.65 0.04 -0.07 0.00 0.00 0.00 179.25 179.90 2d60 h LEU 66 N 0.66 0.80 -0.47 0.00 3.38 -0.06 0.29 115.31 119.91 2d60 h LEU 66 Ca 0.07 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2d60 h LEU 66 Cb 0.84 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2d60 h LEU 66 CO 0.07 0.89 0.30 0.74 0.09 0.00 0.00 178.44 180.53 2d60 h THR 67 N 0.69 1.09 -0.19 0.22 2.02 -0.76 0.14 112.91 116.13 2d60 h THR 67 Ca 0.14 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.16 2d60 h THR 67 Cb 0.45 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 2d60 h THR 67 CO 0.02 0.11 -0.08 -1.13 0.37 0.00 0.00 175.52 174.81 2d60 h ASN 68 N 0.60 -0.27 -0.43 4.18 -1.24 -0.81 -0.31 115.58 117.30 2d60 h ASN 68 Ca 0.18 0.07 0.08 0.00 0.71 0.00 0.00 56.30 57.34 2d60 h ASN 68 Cb -0.03 0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.10 2d60 h ASN 68 CO -0.06 -0.10 0.03 0.00 -1.29 0.00 0.00 177.43 176.01 2d60 h ALA 69 N 1.12 0.43 -0.40 1.57 0.00 -0.21 -1.16 119.26 120.61 2d60 h ALA 69 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2d60 h ALA 69 Cb 0.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2d60 h ALA 69 CO -0.22 -0.37 0.22 0.28 0.00 0.00 0.00 179.25 179.16 2d60 h VAL 70 N 0.15 1.02 0.00 0.00 2.07 -0.36 0.12 116.25 119.24 2d60 h VAL 70 Ca 0.21 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2d60 h VAL 70 Cb 0.30 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2d60 h VAL 70 CO -0.33 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.34 2d60 h ALA 71 N 1.19 1.00 -0.53 1.67 0.00 -0.64 -2.78 119.26 119.17 2d60 h ALA 71 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.71 2d60 h ALA 71 Cb 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.43 2d60 h ALA 71 CO -0.09 0.00 -0.95 0.72 0.00 0.00 0.00 179.25 178.93 2d60 n HIS 72 N -2.51 1.81 0.11 0.00 8.25 -0.48 -4.92 115.22 117.49 2d60 n HIS 72 Ca 0.00 -2.07 0.17 0.00 -0.26 0.00 0.00 57.72 55.56 2d60 n HIS 72 Cb 0.18 -0.28 0.71 0.00 1.12 0.00 0.00 29.99 31.73 2d60 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2d60 h VAL 73 N 3.93 0.72 0.00 1.59 3.04 -0.69 0.17 116.25 125.01 2d60 h VAL 73 Ca 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 2d60 h VAL 73 Cb 1.41 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2d60 h VAL 73 CO 0.43 0.00 0.00 0.44 -1.01 0.00 0.00 177.57 177.43 2d60 h ASP 74 N 0.00 0.00 -1.02 3.17 3.32 -1.88 -3.35 116.42 116.66 2d60 h ASP 74 Ca 0.16 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.85 2d60 h ASP 74 Cb 0.68 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.90 2d60 h ASP 74 CO -0.00 0.00 -0.98 -0.67 -1.72 0.00 0.00 179.24 175.87 2d60 n ASP 75 N -2.80 0.29 -0.15 6.45 2.03 0.60 -4.98 116.55 117.99 2d60 n ASP 75 Ca 0.00 -2.87 -0.10 0.00 0.52 0.00 0.00 54.79 52.34 2d60 n ASP 75 Cb 0.23 -0.03 -0.01 0.00 -0.72 0.00 0.00 41.12 40.59 2d60 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2d60 h MET 76 N 2.84 0.78 -0.79 -0.67 2.86 -1.67 -1.85 114.93 116.42 2d60 h MET 76 Ca -0.07 -0.26 0.16 0.00 -2.06 0.00 0.00 59.70 57.46 2d60 h MET 76 Cb 1.13 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.63 2d60 h MET 76 CO 0.37 0.87 0.33 -1.35 1.06 0.00 0.00 176.91 178.19 2d60 h PRO 77 N 0.61 0.45 0.07 -0.22 0.11 -1.93 -1.24 132.00 129.85 2d60 h PRO 77 Ca 0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 2d60 h PRO 77 Cb 0.54 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2d60 h PRO 77 CO 0.03 0.30 -0.04 -0.97 -0.21 0.00 0.00 178.00 177.11 2d60 h ASN 78 N 0.46 -0.08 -0.28 -2.05 -1.24 -1.93 -1.84 115.58 108.62 2d60 h ASN 78 Ca 0.45 -0.41 0.06 0.00 0.71 0.00 0.00 56.30 57.11 2d60 h ASN 78 Cb 0.70 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 2d60 h ASN 78 CO -0.42 0.39 0.19 0.00 -1.29 0.00 0.00 177.43 176.30 2d60 h ALA 79 N 0.28 2.14 -0.44 1.57 0.00 -0.93 -2.33 119.26 119.55 2d60 h ALA 79 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2d60 h ALA 79 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2d60 h ALA 79 CO 0.02 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2d60 n LEU 80 N -4.47 3.43 -0.26 0.00 4.77 -0.51 -4.72 117.00 115.24 2d60 n LEU 80 Ca 0.03 -2.17 0.02 0.00 -0.03 0.00 0.00 56.01 53.87 2d60 n LEU 80 Cb 0.29 -0.35 0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2d60 n LEU 80 CO 0.35 0.78 0.74 -1.28 -1.33 0.00 0.00 177.39 176.65 2d60 h SER 81 N 2.64 -0.62 -0.56 -1.43 0.87 -0.75 0.17 113.55 113.87 2d60 h SER 81 Ca 0.00 0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 2d60 h SER 81 Cb 0.94 0.44 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2d60 h SER 81 CO 0.05 -0.24 -0.08 0.00 -0.53 0.00 0.00 176.83 176.04 2d60 h ALA 82 N 1.75 0.79 -0.50 6.23 0.00 -1.84 -1.81 119.26 123.87 2d60 h ALA 82 Ca 0.37 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2d60 h ALA 82 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2d60 h ALA 82 CO -0.75 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.00 2d60 h LEU 83 N 0.94 0.93 -0.34 0.00 3.38 -1.60 -0.88 115.31 117.74 2d60 h LEU 83 Ca 0.15 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2d60 h LEU 83 Cb 0.65 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 2d60 h LEU 83 CO 0.04 1.05 -0.19 -1.28 0.09 0.00 0.00 178.44 178.15 2d60 h SER 84 N 0.83 -0.63 -0.30 -0.43 0.87 -0.52 -1.54 113.55 111.84 2d60 h SER 84 Ca 0.13 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2d60 h SER 84 Cb 0.64 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2d60 h SER 84 CO 0.04 -0.22 0.18 0.44 -0.53 0.00 0.00 176.83 176.74 2d60 h ASP 85 N -0.14 0.35 -0.61 6.23 3.32 -0.65 -0.79 116.42 124.14 2d60 h ASP 85 Ca 0.17 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2d60 h ASP 85 Cb 0.41 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2d60 h ASP 85 CO -0.43 0.30 0.37 0.25 -1.72 0.00 0.00 179.24 178.01 2d60 h LEU 86 N 0.38 0.73 -0.20 1.55 5.85 -1.02 0.18 115.31 122.78 2d60 h LEU 86 Ca 0.11 -0.06 -0.22 0.00 0.84 0.00 0.00 57.88 58.55 2d60 h LEU 86 Cb 0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2d60 h LEU 86 CO -0.02 0.57 -0.92 0.45 -0.34 0.00 0.00 178.44 178.18 2d60 h HIS 87 N 0.83 0.56 -0.14 1.25 3.86 -1.17 -0.79 115.15 119.55 2d60 h HIS 87 Ca 0.22 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.08 2d60 h HIS 87 Cb -0.03 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 2d60 h HIS 87 CO -0.02 1.12 -0.09 0.00 0.86 0.00 0.00 177.93 179.80 2d60 h ALA 88 N 0.78 0.20 0.00 2.45 0.00 -0.58 0.12 119.26 122.23 2d60 h ALA 88 Ca -0.07 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.23 2d60 h ALA 88 Cb 1.55 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2d60 h ALA 88 CO 0.16 0.01 -2.04 0.72 0.00 0.00 0.00 179.25 178.10 2d60 n HIS 89 N -4.64 0.50 -0.00 0.00 8.25 0.58 -4.51 115.22 115.39 2d60 n HIS 89 Ca -0.06 0.18 -0.03 0.00 -0.26 0.00 0.00 57.72 57.55 2d60 n HIS 89 Cb 0.31 -1.09 -0.01 0.00 1.12 0.00 0.00 29.99 30.32 2d60 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2d60 n LYS 90 N -2.89 0.17 -0.13 -0.41 0.00 -0.84 -4.86 118.16 109.19 2d60 n LYS 90 Ca -0.25 0.07 -0.11 0.00 0.00 0.00 0.00 58.31 58.03 2d60 n LYS 90 Cb 1.10 -0.75 -0.02 0.00 0.00 0.00 0.00 35.03 35.36 2d60 n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2d60 h LEU 91 N -0.32 0.72 -1.41 3.14 3.38 -1.28 -3.47 115.31 116.06 2d60 h LEU 91 Ca 0.00 -0.33 -0.45 0.00 0.09 0.00 0.00 57.88 57.19 2d60 h LEU 91 Cb 0.32 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2d60 h LEU 91 CO 0.00 0.88 -0.80 0.54 0.09 0.00 0.00 178.44 179.15 2d60 n ARG 92 N -4.41 -5.20 -2.28 1.13 1.74 0.03 -4.93 116.66 102.74 2d60 n ARG 92 Ca -0.01 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 2d60 n ARG 92 Cb 0.32 -5.31 -0.03 0.00 -1.02 0.00 0.00 32.46 26.42 2d60 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2d60 s VAL 93 N -3.51 3.76 0.21 1.55 1.01 -1.26 -4.94 120.40 117.21 2d60 s VAL 93 Ca 0.31 1.20 -0.32 0.00 0.00 0.00 0.00 61.98 63.17 2d60 s VAL 93 Cb -0.15 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 2d60 s VAL 93 CO 0.82 0.04 1.41 -0.67 0.00 0.00 0.00 175.10 176.71 2d60 n ASP 94 N 4.69 2.64 0.11 3.32 2.03 -1.26 -4.83 116.55 123.24 2d60 n ASP 94 Ca 0.11 1.13 0.19 0.00 0.52 0.00 0.00 54.79 56.75 2d60 n ASP 94 Cb 0.44 -1.40 0.67 0.00 -0.72 0.00 0.00 41.12 40.11 2d60 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2d60 h PRO 95 N 4.48 0.00 0.00 -0.67 0.11 -2.00 -1.81 132.00 132.11 2d60 h PRO 95 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2d60 h PRO 95 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2d60 h PRO 95 CO 0.78 0.00 -0.26 -0.39 -0.21 0.00 0.00 178.00 177.92 2d60 h VAL 96 N 0.00 1.04 0.00 3.15 -1.51 -2.03 -2.64 116.25 114.26 2d60 h VAL 96 Ca 0.19 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 64.72 2d60 h VAL 96 Cb 1.36 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 32.04 2d60 h VAL 96 CO -0.00 0.25 -0.06 0.78 -1.23 0.00 0.00 177.57 177.31 2d60 h ASN 97 N 0.00 0.00 0.10 4.19 2.35 -1.68 -2.41 115.58 118.13 2d60 h ASN 97 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 2d60 h ASN 97 Cb 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2d60 h ASN 97 CO 0.03 0.06 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.30 2d60 h PHE 98 N 0.00 0.36 -0.80 1.19 0.04 -1.65 -1.98 116.94 114.10 2d60 h PHE 98 Ca -0.00 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2d60 h PHE 98 Cb 0.32 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 2d60 h PHE 98 CO 0.00 0.60 0.38 0.87 -0.60 0.00 0.00 178.31 179.56 2d60 h LYS 99 N 0.28 1.16 -0.08 1.51 1.57 -1.58 -0.27 116.57 119.15 2d60 h LYS 99 Ca 0.04 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2d60 h LYS 99 Cb 0.69 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2d60 h LYS 99 CO 0.05 0.90 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.73 2d60 h LEU 100 N 1.14 0.17 -0.92 2.94 3.38 -1.40 -1.78 115.31 118.84 2d60 h LEU 100 Ca 0.28 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2d60 h LEU 100 Cb 0.13 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2d60 h LEU 100 CO -0.03 0.54 0.42 0.25 0.09 0.00 0.00 178.44 179.70 2d60 h LEU 101 N -0.19 1.08 -0.54 1.67 5.85 -1.37 -2.01 115.31 119.80 2d60 h LEU 101 Ca 0.02 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2d60 h LEU 101 Cb 0.47 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2d60 h LEU 101 CO 0.01 0.89 0.33 0.28 -0.34 0.00 0.00 178.44 179.61 2d60 h SER 102 N 1.19 0.53 -0.67 1.25 0.02 -0.90 0.17 113.55 115.13 2d60 h SER 102 Ca 0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 2d60 h SER 102 Cb 0.09 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2d60 h SER 102 CO -0.04 0.37 0.13 -0.74 -1.14 0.00 0.00 176.83 175.41 2d60 h HIS 103 N 0.65 1.16 -0.30 3.45 -0.00 -1.24 -0.63 115.15 118.23 2d60 h HIS 103 Ca 0.22 -0.15 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 2d60 h HIS 103 Cb 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 2d60 h HIS 103 CO -0.06 0.97 -0.24 0.00 -0.00 0.00 0.00 177.93 178.59 2d60 h LEU 105 N 0.52 1.06 -0.20 0.00 3.38 -0.36 -1.54 115.31 118.17 2d60 h LEU 105 Ca 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2d60 h LEU 105 Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2d60 h LEU 105 CO 0.05 0.88 0.06 -0.07 0.09 0.00 0.00 178.44 179.45 2d60 h LEU 106 N 1.18 0.29 -0.54 1.67 3.38 -0.76 -1.22 115.31 119.31 2d60 h LEU 106 Ca 0.29 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2d60 h LEU 106 Cb 0.07 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2d60 h LEU 106 CO -0.04 0.42 0.27 0.58 0.09 0.00 0.00 178.44 179.76 2d60 h VAL 107 N 0.14 0.93 -0.12 1.22 2.07 -1.07 -1.24 116.25 118.18 2d60 h VAL 107 Ca 0.06 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2d60 h VAL 107 Cb 0.24 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2d60 h VAL 107 CO -0.00 0.09 -0.03 0.74 0.02 0.00 0.00 177.57 178.39 2d60 h THR 108 N 0.51 0.87 -0.64 2.57 2.02 -0.98 -0.22 112.91 117.05 2d60 h THR 108 Ca 0.25 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.42 2d60 h THR 108 Cb 0.17 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2d60 h THR 108 CO -0.18 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.01 2d60 h LEU 109 N -0.00 0.76 -0.26 2.58 3.38 -1.11 -1.64 115.31 119.00 2d60 h LEU 109 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2d60 h LEU 109 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2d60 h LEU 109 CO -0.13 0.59 0.10 0.00 0.09 0.00 0.00 178.44 179.09 2d60 h ALA 110 N 1.54 0.34 0.00 1.53 0.00 -0.54 0.45 119.26 122.59 2d60 h ALA 110 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2d60 h ALA 110 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2d60 h ALA 110 CO -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.16 2d60 h ALA 111 N 0.93 1.00 0.00 0.00 0.00 -0.69 -3.31 119.26 117.20 2d60 h ALA 111 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2d60 h ALA 111 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2d60 h ALA 111 CO -0.01 0.00 -1.62 0.72 0.00 0.00 0.00 179.25 178.34 2d60 n HIS 112 N -2.50 0.00 -2.97 0.00 -0.00 -0.65 -4.77 115.22 104.33 2d60 n HIS 112 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.49 2d60 n HIS 112 Cb 0.32 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.99 29.90 2d60 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2d60 n LEU 113 N -2.11 3.88 -0.32 2.41 4.77 0.13 -4.95 117.00 120.81 2d60 n LEU 113 Ca -0.08 -5.56 0.03 0.00 -0.03 0.00 0.00 56.01 50.37 2d60 n LEU 113 Cb 0.53 -0.34 0.21 0.00 -2.33 0.00 0.00 43.42 41.49 2d60 n LEU 113 CO 0.24 2.34 1.26 1.55 -1.33 0.00 0.00 177.39 181.45 2d60 h PRO 114 N 2.98 1.06 -0.18 3.23 0.13 -1.81 -1.87 132.00 135.55 2d60 h PRO 114 Ca 0.13 -0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 2d60 h PRO 114 Cb 0.59 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2d60 h PRO 114 CO 0.77 0.70 -0.31 0.00 -0.23 0.00 0.00 178.00 178.93 2d60 h ALA 115 N 1.48 1.15 0.00 -0.56 0.00 -1.94 -3.27 119.26 116.12 2d60 h ALA 115 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2d60 h ALA 115 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2d60 h ALA 115 CO -0.14 0.55 -0.81 0.93 0.00 0.00 0.00 179.25 179.78 2d60 h GLU 116 N 0.30 0.00 -2.75 0.00 3.07 -1.80 -3.41 114.58 109.99 2d60 h GLU 116 Ca 0.04 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.21 2d60 h GLU 116 Cb 0.70 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.55 2d60 h GLU 116 CO 0.05 0.00 2.92 0.34 -1.40 0.00 0.00 179.01 180.92 2d60 n PHE 117 N -2.76 2.41 -1.34 4.33 7.35 -0.77 -4.74 117.46 121.94 2d60 n PHE 117 Ca 0.01 -2.88 -0.31 0.00 -0.76 0.00 0.00 57.45 53.51 2d60 n PHE 117 Cb 0.55 -2.11 0.09 0.00 0.35 0.00 0.00 39.48 38.36 2d60 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2d60 s THR 118 N 0.35 3.38 0.25 -2.13 -4.23 -1.26 -4.71 115.64 107.28 2d60 s THR 118 Ca 0.62 0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 61.54 2d60 s THR 118 Cb 0.19 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 71.25 2d60 s THR 118 CO -0.08 -0.58 1.72 -0.65 -0.54 0.00 0.00 174.62 174.48 2d60 h PRO 119 N -1.09 0.39 -0.47 3.99 0.11 -1.99 0.13 132.00 133.07 2d60 h PRO 119 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2d60 h PRO 119 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2d60 h PRO 119 CO 0.54 0.26 -0.00 0.00 -0.21 0.00 0.00 178.00 178.58 2d60 h ALA 120 N 1.57 1.11 -0.31 -0.75 0.00 -1.96 -1.35 119.26 117.57 2d60 h ALA 120 Ca 0.42 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2d60 h ALA 120 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2d60 h ALA 120 CO -0.43 0.57 -0.44 0.28 0.00 0.00 0.00 179.25 179.23 2d60 h VAL 121 N 0.73 1.28 -0.51 0.00 2.07 -1.73 -1.49 116.25 116.60 2d60 h VAL 121 Ca 0.14 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 66.09 2d60 h VAL 121 Cb 0.45 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2d60 h VAL 121 CO 0.02 0.53 0.24 -0.74 0.02 0.00 0.00 177.57 177.64 2d60 h HIS 122 N 0.64 0.44 -0.23 1.57 6.17 -0.35 0.13 115.15 123.52 2d60 h HIS 122 Ca 0.04 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.09 2d60 h HIS 122 Cb 1.01 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.81 2d60 h HIS 122 CO 0.06 0.20 -0.06 0.00 0.71 0.00 0.00 177.93 178.84 2d60 h ALA 123 N 1.29 0.32 -0.29 5.26 0.00 -0.99 -1.18 119.26 123.67 2d60 h ALA 123 Ca 0.23 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2d60 h ALA 123 Cb 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2d60 h ALA 123 CO -0.18 0.11 0.03 0.77 0.00 0.00 0.00 179.25 179.98 2d60 h SER 124 N 0.18 -0.04 -0.85 0.00 0.02 -1.06 -0.34 113.55 111.45 2d60 h SER 124 Ca 0.06 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2d60 h SER 124 Cb 0.51 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 2d60 h SER 124 CO 0.02 0.01 0.52 -0.07 -1.14 0.00 0.00 176.83 176.18 2d60 h LEU 125 N 0.13 1.01 -0.23 5.07 3.38 -0.61 0.03 115.31 124.09 2d60 h LEU 125 Ca 0.13 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2d60 h LEU 125 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2d60 h LEU 125 CO -0.20 0.77 0.13 -0.78 0.09 0.00 0.00 178.44 178.46 2d60 h ASP 126 N 1.17 0.28 -0.89 -0.43 3.58 -0.72 0.36 116.42 119.76 2d60 h ASP 126 Ca 0.31 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2d60 h ASP 126 Cb -0.07 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2d60 h ASP 126 CO -0.06 0.26 0.55 0.11 -2.88 0.00 0.00 179.24 177.23 2d60 h LYS 127 N 0.27 1.20 -0.00 0.28 1.57 -0.89 -1.30 116.57 117.71 2d60 h LYS 127 Ca 0.08 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2d60 h LYS 127 Cb 0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 2d60 h LYS 127 CO -0.01 0.83 0.00 0.35 -0.57 0.00 0.00 179.45 180.04 2d60 h PHE 128 N 1.23 0.00 -0.64 -1.35 3.57 -0.22 -0.31 116.94 119.22 2d60 h PHE 128 Ca 0.32 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2d60 h PHE 128 Cb -0.08 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2d60 h PHE 128 CO 0.00 0.16 0.27 -0.07 -2.23 0.00 0.00 178.31 176.45 2d60 h LEU 129 N -0.16 0.84 -1.26 0.59 3.38 -0.80 -0.74 115.31 117.15 2d60 h LEU 129 Ca 0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2d60 h LEU 129 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2d60 h LEU 129 CO -0.00 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.28 2d60 h ALA 130 N 1.39 1.40 -0.15 1.53 0.00 -1.05 0.14 119.26 122.52 2d60 h ALA 130 Ca 0.22 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 2d60 h ALA 130 Cb 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2d60 h ALA 130 CO -0.02 0.42 -0.77 0.77 0.00 0.00 0.00 179.25 179.65 2d60 h SER 131 N 0.49 0.94 -0.36 0.00 0.02 -0.15 -1.31 113.55 113.18 2d60 h SER 131 Ca 0.11 -0.63 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 2d60 h SER 131 Cb 0.30 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2d60 h SER 131 CO 0.01 1.42 -0.04 0.58 -1.14 0.00 0.00 176.83 177.66 2d60 h VAL 132 N 0.53 1.27 -0.57 2.27 2.07 -1.01 -1.35 116.25 119.46 2d60 h VAL 132 Ca -0.05 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.50 2d60 h VAL 132 Cb 1.40 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 2d60 h VAL 132 CO 0.16 0.35 0.18 0.28 0.02 0.00 0.00 177.57 178.56 2d60 h SER 133 N 0.47 0.15 -0.72 0.57 0.02 -0.59 0.15 113.55 113.61 2d60 h SER 133 Ca 0.10 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 2d60 h SER 133 Cb 0.52 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2d60 h SER 133 CO 0.03 0.10 0.30 0.74 -1.14 0.00 0.00 176.83 176.86 2d60 h THR 134 N 0.35 1.25 -0.22 -2.27 2.02 -0.96 -1.54 112.91 111.53 2d60 h THR 134 Ca 0.28 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2d60 h THR 134 Cb 0.36 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2d60 h THR 134 CO -0.31 0.31 0.11 0.58 0.37 0.00 0.00 175.52 176.57 2d60 h VAL 135 N 1.02 0.99 0.00 3.16 2.07 -0.60 -1.30 116.25 121.60 2d60 h VAL 135 Ca 0.24 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2d60 h VAL 135 Cb 0.19 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2d60 h VAL 135 CO -0.02 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 2d60 h LEU 136 N 0.23 0.00 -2.02 2.57 3.38 -0.05 -2.31 115.31 117.10 2d60 h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2d60 h LEU 136 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2d60 h LEU 136 CO -0.07 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.81 2d60 n THR 137 N -2.98 0.35 -0.30 0.22 -2.24 -0.64 -4.45 114.28 104.24 2d60 n THR 137 Ca -0.00 -0.67 0.33 0.00 -2.27 0.00 0.00 64.05 61.43 2d60 n THR 137 Cb 0.24 1.03 0.71 0.00 -2.10 0.00 0.00 70.33 70.22 2d60 n THR 137 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2d60 h SER 138 N 2.88 0.06 -0.03 3.42 0.02 -0.64 -2.65 113.55 116.61 2d60 h SER 138 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2d60 h SER 138 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2d60 h SER 138 CO 0.00 0.01 0.00 0.29 -1.14 0.00 0.00 176.83 175.99 2d60 n LYS 139 N -4.26 2.52 0.07 3.45 5.02 -1.26 -4.72 118.16 118.98 2d60 n LYS 139 Ca 0.24 -1.87 0.11 0.00 -2.02 0.00 0.00 58.31 54.77 2d60 n LYS 139 Cb 1.15 -1.18 0.58 0.00 -0.02 0.00 0.00 35.03 35.56 2d60 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2d60 h TYR 140 N 0.19 0.20 0.00 2.13 0.99 -1.79 -3.46 116.97 115.23 2d60 h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2d60 h TYR 140 Cb 0.68 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.34 2d60 h TYR 140 CO 0.03 0.11 0.00 2.89 -0.00 0.00 0.00 178.16 181.19