#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b86 s LEU 2 N 0.00 4.31 0.53 6.55 1.43 -1.26 -5.05 118.68 125.19 1b86 s LEU 2 Ca 0.00 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1b86 s LEU 2 Cb 0.00 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 43.09 1b86 s LEU 2 CO 0.00 -0.16 0.76 -0.94 0.23 0.00 0.00 176.35 176.23 1b86 s SER 3 N 0.86 5.36 0.44 2.29 1.04 -1.26 -4.88 113.70 117.55 1b86 s SER 3 Ca 0.39 0.01 0.18 0.00 0.48 0.00 0.00 55.95 57.02 1b86 s SER 3 Cb -0.18 -0.95 1.12 0.00 0.10 0.00 0.00 66.02 66.11 1b86 s SER 3 CO 0.19 -1.08 1.90 -0.65 0.98 0.00 0.00 173.24 174.59 1b86 h PRO 4 N 0.13 0.34 0.00 4.02 0.11 -2.00 0.31 132.00 134.91 1b86 h PRO 4 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1b86 h PRO 4 Cb 1.29 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1b86 h PRO 4 CO 0.53 0.22 -0.50 0.00 -0.21 0.00 0.00 178.00 178.03 1b86 h ALA 5 N 1.63 0.77 -0.11 -0.75 0.00 -1.99 -2.98 119.26 115.82 1b86 h ALA 5 Ca 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1b86 h ALA 5 Cb 1.03 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1b86 h ALA 5 CO -0.12 0.19 -0.06 -0.44 0.00 0.00 0.00 179.25 178.82 1b86 h ASP 6 N 0.00 0.25 -0.77 0.00 3.32 -0.88 0.43 116.42 118.77 1b86 h ASP 6 Ca -0.02 -0.42 0.08 0.00 0.02 0.00 0.00 57.03 56.69 1b86 h ASP 6 Cb 1.12 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 1b86 h ASP 6 CO 0.02 0.62 0.44 0.11 -1.72 0.00 0.00 179.24 178.70 1b86 h LYS 7 N -0.11 0.75 -0.36 3.56 1.57 -0.82 0.13 116.57 121.28 1b86 h LYS 7 Ca 0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1b86 h LYS 7 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1b86 h LYS 7 CO 0.02 0.50 0.04 1.15 -0.57 0.00 0.00 179.45 180.58 1b86 h THR 8 N 0.77 1.25 -0.50 -0.16 2.02 -1.51 1.03 112.91 115.81 1b86 h THR 8 Ca 0.36 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1b86 h THR 8 Cb 0.27 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1b86 h THR 8 CO -0.22 0.30 0.11 0.78 0.37 0.00 0.00 175.52 176.87 1b86 h ASN 9 N 0.44 0.76 0.62 4.18 2.35 0.15 -0.65 115.58 123.44 1b86 h ASN 9 Ca 0.11 -0.24 -0.19 0.00 -0.55 0.00 0.00 56.30 55.43 1b86 h ASN 9 Cb 0.40 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1b86 h ASN 9 CO 0.01 0.80 -0.83 -0.37 -1.65 0.00 0.00 177.43 175.39 1b86 h VAL 10 N 0.69 1.51 -0.46 2.81 -1.51 -0.58 -1.69 116.25 117.02 1b86 h VAL 10 Ca 0.16 -2.59 -0.04 0.00 -1.23 0.00 0.00 66.70 62.99 1b86 h VAL 10 Cb 0.34 2.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 1b86 h VAL 10 CO 0.00 0.75 0.11 0.11 -1.23 0.00 0.00 177.57 177.32 1b86 h LYS 11 N 0.08 0.73 0.21 5.19 1.57 0.14 -0.65 116.57 123.84 1b86 h LYS 11 Ca -0.03 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1b86 h LYS 11 Cb 1.45 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1b86 h LYS 11 CO 0.12 0.72 -0.10 0.00 -0.57 0.00 0.00 179.45 179.62 1b86 h ALA 12 N 0.98 -0.28 -0.53 3.86 0.00 -1.07 -1.97 119.26 120.23 1b86 h ALA 12 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1b86 h ALA 12 Cb 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1b86 h ALA 12 CO 0.00 -0.46 0.26 0.00 0.00 0.00 0.00 179.25 179.05 1b86 h ALA 13 N -0.02 0.69 -0.54 0.00 0.00 -1.36 -2.90 119.26 115.12 1b86 h ALA 13 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1b86 h ALA 13 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1b86 h ALA 13 CO 0.05 0.25 0.28 2.35 0.00 0.00 0.00 179.25 182.17 1b86 h TRP 14 N 0.72 0.73 -0.41 0.00 2.91 -1.16 -2.39 115.95 116.34 1b86 h TRP 14 Ca 0.18 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.27 1b86 h TRP 14 Cb 0.12 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 1b86 h TRP 14 CO -0.00 0.52 0.28 0.78 -1.03 0.00 0.00 178.44 178.99 1b86 h GLY 15 N 0.83 0.26 1.54 2.65 0.00 -1.14 -0.60 103.07 106.61 1b86 h GLY 15 Ca 0.19 -0.08 -0.27 0.00 0.00 0.00 0.00 47.33 47.17 1b86 h GLY 15 CO -0.03 0.06 -1.31 0.50 0.00 0.00 0.00 176.54 175.75 1b86 h LYS 16 N 0.20 0.17 -0.56 4.80 1.79 -1.42 -3.16 116.57 118.39 1b86 h LYS 16 Ca 0.19 -0.30 0.11 0.00 -2.18 0.00 0.00 60.65 58.46 1b86 h LYS 16 Cb 0.48 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 31.13 1b86 h LYS 16 CO -0.03 1.07 -0.29 0.28 -1.08 0.00 0.00 179.45 179.40 1b86 h VAL 17 N 0.05 0.23 0.00 0.50 2.07 -0.65 -3.41 116.25 115.04 1b86 h VAL 17 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1b86 h VAL 17 Cb 1.94 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1b86 h VAL 17 CO 0.16 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.36 1b86 n GLY 18 N -1.43 0.83 0.38 2.17 0.00 -0.91 -1.33 105.19 104.88 1b86 n GLY 18 Ca 0.05 0.64 0.14 0.00 0.00 0.00 0.00 46.02 46.85 1b86 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b86 n ALA 19 N 8.22 2.63 1.08 4.61 0.00 -1.26 -3.69 120.51 132.09 1b86 n ALA 19 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.16 1b86 n ALA 19 Cb 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.37 1b86 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b86 n HIS 20 N -0.10 0.00 -0.26 0.00 8.25 -0.44 -4.63 115.22 118.03 1b86 n HIS 20 Ca 0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.58 1b86 n HIS 20 Cb 0.31 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.28 1b86 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b86 n ALA 21 N -0.78 -0.40 -0.06 -1.41 0.00 -1.24 0.30 120.51 116.92 1b86 n ALA 21 Ca 0.08 0.53 -0.12 0.00 0.00 0.00 0.00 53.44 53.93 1b86 n ALA 21 Cb 0.38 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 1b86 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b86 h GLY 22 N 0.00 -0.76 -0.12 0.00 0.00 -1.82 0.82 103.07 101.18 1b86 h GLY 22 Ca 0.10 0.58 0.15 0.00 0.00 0.00 0.00 47.33 48.16 1b86 h GLY 22 CO -0.59 -0.19 0.06 0.83 0.00 0.00 0.00 176.54 176.65 1b86 h GLU 23 N -0.44 0.16 -0.35 4.80 3.07 -0.45 -0.56 114.58 120.81 1b86 h GLU 23 Ca 0.09 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.79 1b86 h GLU 23 Cb 0.62 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1b86 h GLU 23 CO -0.49 0.11 -0.38 1.88 -1.40 0.00 0.00 179.01 178.73 1b86 h TYR 24 N 0.17 1.05 -0.22 4.33 0.05 -0.01 -1.14 116.97 121.19 1b86 h TYR 24 Ca 0.37 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1b86 h TYR 24 Cb 0.63 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1b86 h TYR 24 CO -0.34 1.13 0.14 0.78 -1.05 0.00 0.00 178.16 178.82 1b86 h GLY 25 N 0.66 0.32 0.48 3.88 0.00 0.13 -1.66 103.07 106.88 1b86 h GLY 25 Ca 0.05 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1b86 h GLY 25 CO 0.09 0.13 -0.11 0.00 0.00 0.00 0.00 176.54 176.65 1b86 h ALA 26 N 1.04 0.03 -0.80 3.60 0.00 -1.03 -1.68 119.26 120.43 1b86 h ALA 26 Ca 0.08 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1b86 h ALA 26 Cb 0.02 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1b86 h ALA 26 CO -0.02 -0.55 0.51 1.49 0.00 0.00 0.00 179.25 180.69 1b86 h GLU 27 N -0.11 0.97 -0.97 0.00 4.81 -1.04 -2.23 114.58 116.02 1b86 h GLU 27 Ca 0.11 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1b86 h GLU 27 Cb 0.27 -0.22 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 1b86 h GLU 27 CO -0.25 0.64 0.62 0.00 -0.73 0.00 0.00 179.01 179.30 1b86 h ALA 28 N 1.33 1.50 -0.02 2.92 0.00 -0.99 -0.82 119.26 123.18 1b86 h ALA 28 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1b86 h ALA 28 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1b86 h ALA 28 CO -0.11 0.32 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 1b86 h LEU 29 N 1.05 0.07 -0.99 0.00 3.38 -0.80 -2.19 115.31 115.84 1b86 h LEU 29 Ca 0.44 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1b86 h LEU 29 Cb 0.31 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1b86 h LEU 29 CO -0.19 0.61 0.41 -0.08 0.09 0.00 0.00 178.44 179.28 1b86 h GLU 30 N -0.46 1.12 -0.49 1.13 4.81 -1.17 0.91 114.58 120.44 1b86 h GLU 30 Ca 0.00 -0.14 0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1b86 h GLU 30 Cb 0.60 -0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1b86 h GLU 30 CO 0.01 0.84 0.10 0.00 -0.73 0.00 0.00 179.01 179.23 1b86 h ARG 31 N 1.12 0.22 0.54 1.92 3.08 -1.03 -1.29 114.38 118.95 1b86 h ARG 31 Ca 0.28 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1b86 h ARG 31 Cb 0.07 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1b86 h ARG 31 CO -0.04 0.15 -0.26 1.98 -1.07 0.00 0.00 179.97 180.73 1b86 h MET 32 N 0.23 -0.71 -0.84 0.04 4.05 -0.94 -1.56 114.93 115.21 1b86 h MET 32 Ca 0.24 0.05 0.13 0.00 -0.28 0.00 0.00 59.70 59.85 1b86 h MET 32 Cb 0.32 0.16 -0.09 0.00 -0.80 0.00 0.00 31.60 31.19 1b86 h MET 32 CO -0.32 -0.44 0.44 0.74 0.23 0.00 0.00 176.91 177.57 1b86 h PHE 33 N -0.82 0.78 0.06 1.39 0.04 -0.44 0.86 116.94 118.81 1b86 h PHE 33 Ca -0.07 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.47 1b86 h PHE 33 Cb 0.60 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1b86 h PHE 33 CO -0.02 0.22 -1.08 -0.07 -0.60 0.00 0.00 178.31 176.76 1b86 h LEU 34 N 0.65 0.59 0.10 1.54 3.38 -1.25 -3.18 115.31 117.15 1b86 h LEU 34 Ca 0.45 -0.52 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 1b86 h LEU 34 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1b86 h LEU 34 CO -0.34 1.34 -1.78 0.28 0.09 0.00 0.00 178.44 178.04 1b86 h SER 35 N 0.21 0.34 -2.72 -0.43 0.02 -1.15 -3.40 113.55 106.42 1b86 h SER 35 Ca -0.12 -0.63 -0.61 0.00 -0.84 0.00 0.00 61.79 59.59 1b86 h SER 35 Cb 1.74 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 63.77 1b86 h SER 35 CO 0.19 1.55 -0.72 0.49 -1.14 0.00 0.00 176.83 177.20 1b86 n PHE 36 N -3.39 1.87 0.23 3.45 3.72 0.28 -4.96 117.46 118.67 1b86 n PHE 36 Ca -0.24 -3.96 0.14 0.00 -0.05 0.00 0.00 57.45 53.34 1b86 n PHE 36 Cb 1.05 -0.34 0.79 0.00 -0.94 0.00 0.00 39.48 40.04 1b86 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1b86 h PRO 37 N 5.25 0.00 -0.13 -1.08 0.11 -1.69 -2.14 132.00 132.32 1b86 h PRO 37 Ca 0.19 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.33 1b86 h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1b86 h PRO 37 CO 0.61 0.00 0.20 1.79 -0.21 0.00 0.00 178.00 180.39 1b86 h THR 38 N 0.00 0.31 0.00 -1.15 1.35 -1.91 0.04 112.91 111.55 1b86 h THR 38 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 1b86 h THR 38 Cb 0.24 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1b86 h THR 38 CO -0.00 0.00 -0.06 0.71 -0.25 0.00 0.00 175.52 175.92 1b86 h THR 39 N 0.00 0.16 0.00 6.82 1.35 -1.70 -2.77 112.91 116.77 1b86 h THR 39 Ca 0.06 -0.63 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1b86 h THR 39 Cb 0.45 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1b86 h THR 39 CO -0.00 0.06 -0.01 0.11 -0.25 0.00 0.00 175.52 175.42 1b86 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.18 -3.10 116.57 118.59 1b86 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b86 h LYS 40 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1b86 h LYS 40 CO 0.01 0.01 0.13 1.79 -0.57 0.00 0.00 179.45 180.82 1b86 h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.68 -1.08 112.91 111.33 1b86 h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1b86 h THR 41 Cb 0.42 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1b86 h THR 41 CO 0.00 0.00 -1.10 -1.22 -0.25 0.00 0.00 175.52 172.96 1b86 n TYR 42 N -2.28 0.10 -2.62 4.73 4.02 -1.17 -4.44 117.16 115.50 1b86 n TYR 42 Ca -0.01 0.03 -0.23 0.00 -0.01 0.00 0.00 57.90 57.67 1b86 n TYR 42 Cb 0.16 -0.26 -0.00 0.00 -0.02 0.00 0.00 39.34 39.22 1b86 n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1b86 n PHE 43 N -1.78 2.92 0.21 -0.72 3.01 -0.41 -4.83 117.46 115.86 1b86 n PHE 43 Ca 0.02 -3.23 0.09 0.00 1.01 0.00 0.00 57.45 55.35 1b86 n PHE 43 Cb 0.40 -0.22 0.30 0.00 -0.01 0.00 0.00 39.48 39.95 1b86 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1b86 h PRO 44 N 2.74 0.00 -0.61 -1.08 0.14 -1.78 -2.75 132.00 128.68 1b86 h PRO 44 Ca 0.19 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.33 1b86 h PRO 44 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.05 1b86 h PRO 44 CO 0.76 0.22 0.00 -2.39 0.14 0.00 0.00 178.00 176.73 1b86 n HIS 45 N -3.24 1.03 -3.94 1.56 1.44 -1.26 -4.89 115.22 105.93 1b86 n HIS 45 Ca 0.02 -0.44 -0.22 0.00 -2.01 0.00 0.00 57.72 55.07 1b86 n HIS 45 Cb 0.52 -0.13 -0.05 0.00 0.12 0.00 0.00 29.99 30.45 1b86 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1b86 s PHE 46 N -1.59 2.75 -0.25 -1.40 0.40 -1.04 -5.08 117.98 111.77 1b86 s PHE 46 Ca 0.39 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1b86 s PHE 46 Cb 0.24 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1b86 s PHE 46 CO 0.22 0.20 0.39 0.34 0.70 0.00 0.00 175.22 177.07 1b86 s ASP 47 N -3.94 6.33 -0.32 1.36 -1.08 -1.26 -4.97 116.67 112.79 1b86 s ASP 47 Ca 0.41 0.38 0.08 0.00 -0.52 0.00 0.00 52.55 52.90 1b86 s ASP 47 Cb -0.03 -2.22 0.50 0.00 -1.46 0.00 0.00 42.92 39.71 1b86 s ASP 47 CO 0.25 -0.16 1.47 0.18 0.52 0.00 0.00 175.17 177.43 1b86 n LEU 48 N 5.07 4.49 -4.86 -1.34 4.77 -1.26 -4.56 117.00 119.32 1b86 n LEU 48 Ca -0.08 -3.96 -0.32 0.00 -0.03 0.00 0.00 56.01 51.62 1b86 n LEU 48 Cb 0.51 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1b86 n LEU 48 CO 0.38 1.41 0.44 -0.94 -1.33 0.00 0.00 177.39 177.34 1b86 s SER 49 N -2.65 6.70 -0.28 -1.43 1.04 -1.26 -4.95 113.70 110.88 1b86 s SER 49 Ca 0.47 1.25 -0.42 0.00 0.48 0.00 0.00 55.95 57.73 1b86 s SER 49 Cb 0.42 -2.37 -0.18 0.00 0.10 0.00 0.00 66.02 63.99 1b86 s SER 49 CO -0.00 -0.27 1.58 1.57 0.98 0.00 0.00 173.24 177.10 1b86 n HIS 50 N -0.66 1.75 -1.00 5.02 -0.00 -1.26 0.12 115.22 119.20 1b86 n HIS 50 Ca 0.03 0.80 0.00 0.00 0.46 0.00 0.00 57.72 59.02 1b86 n HIS 50 Cb 0.53 -2.33 0.00 0.00 -0.12 0.00 0.00 29.99 28.07 1b86 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b86 n GLY 51 N 3.66 0.41 3.67 1.57 0.00 -1.26 -4.98 105.19 108.27 1b86 n GLY 51 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1b86 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b86 n SER 52 N -0.20 1.67 -0.16 1.61 3.41 0.33 -4.77 113.62 115.51 1b86 n SER 52 Ca 0.00 0.90 0.13 0.00 -0.26 0.00 0.00 58.87 59.64 1b86 n SER 52 Cb 0.10 -1.47 0.42 0.00 -0.26 0.00 0.00 64.21 63.00 1b86 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b86 n ALA 53 N -1.36 3.05 -0.02 7.33 0.00 -1.26 -2.54 120.51 125.71 1b86 n ALA 53 Ca 0.12 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 1b86 n ALA 53 Cb 0.45 -1.20 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 1b86 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1b86 h GLN 54 N 0.77 0.46 0.22 0.00 4.20 -1.86 -1.67 115.11 117.23 1b86 h GLN 54 Ca 0.00 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1b86 h GLN 54 Cb 0.47 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1b86 h GLN 54 CO 0.00 1.04 -0.11 0.28 -0.67 0.00 0.00 178.83 179.37 1b86 h VAL 55 N 0.01 0.77 -0.78 -0.54 2.07 -1.79 0.21 116.25 116.21 1b86 h VAL 55 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1b86 h VAL 55 Cb 1.16 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1b86 h VAL 55 CO 0.10 0.00 0.46 0.11 0.02 0.00 0.00 177.57 178.26 1b86 h LYS 56 N -0.30 0.80 -0.04 1.57 1.57 -1.59 0.24 116.57 118.81 1b86 h LYS 56 Ca -0.03 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1b86 h LYS 56 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1b86 h LYS 56 CO 0.04 0.53 -0.71 0.78 -0.57 0.00 0.00 179.45 179.52 1b86 h GLY 57 N 0.82 0.24 2.00 3.86 0.00 -1.00 -2.94 103.07 106.05 1b86 h GLY 57 Ca 0.35 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 1b86 h GLY 57 CO -0.20 0.31 -0.74 0.84 0.00 0.00 0.00 176.54 176.75 1b86 h HIS 58 N 0.15 0.00 -0.43 5.60 -0.00 0.64 -3.06 115.15 118.05 1b86 h HIS 58 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.26 1b86 h HIS 58 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.66 1b86 h HIS 58 CO 0.02 0.74 -0.07 0.78 -0.00 0.00 0.00 177.93 179.41 1b86 h GLY 59 N 3.17 0.87 1.52 5.26 0.00 -0.56 -0.64 103.07 112.70 1b86 h GLY 59 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1b86 h GLY 59 CO 0.10 0.64 -0.02 1.70 0.00 0.00 0.00 176.54 178.96 1b86 h LYS 60 N 0.63 0.60 0.36 4.80 3.64 -1.59 0.27 116.57 125.28 1b86 h LYS 60 Ca 0.11 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1b86 h LYS 60 Cb 0.60 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1b86 h LYS 60 CO 0.04 0.63 -0.17 0.87 -2.27 0.00 0.00 179.45 178.55 1b86 h LYS 61 N 0.57 -0.46 -0.05 1.90 1.57 -1.16 0.10 116.57 119.03 1b86 h LYS 61 Ca 0.12 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1b86 h LYS 61 Cb 0.39 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1b86 h LYS 61 CO 0.02 -0.23 -0.30 0.28 -0.57 0.00 0.00 179.45 178.65 1b86 h VAL 62 N -0.60 0.34 -0.40 0.50 2.07 -1.00 -0.39 116.25 116.77 1b86 h VAL 62 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1b86 h VAL 62 Cb 0.44 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1b86 h VAL 62 CO 0.08 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.94 1b86 h ALA 63 N 0.39 1.94 -0.01 1.67 0.00 -0.15 -1.88 119.26 121.22 1b86 h ALA 63 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1b86 h ALA 63 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1b86 h ALA 63 CO -0.29 -0.01 -0.61 -0.44 0.00 0.00 0.00 179.25 177.91 1b86 h ASP 64 N 0.34 0.05 0.27 0.00 3.32 0.92 -1.45 116.42 119.87 1b86 h ASP 64 Ca 0.17 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1b86 h ASP 64 Cb 0.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1b86 h ASP 64 CO -0.04 0.65 -0.65 0.00 -1.72 0.00 0.00 179.24 177.48 1b86 h ALA 65 N 1.35 0.72 -0.04 3.45 0.00 -0.86 -1.22 119.26 122.67 1b86 h ALA 65 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1b86 h ALA 65 Cb 1.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1b86 h ALA 65 CO 0.08 0.74 -0.00 -0.07 0.00 0.00 0.00 179.25 180.00 1b86 h LEU 66 N 0.26 0.07 -0.83 0.00 3.38 -0.95 -1.97 115.31 115.27 1b86 h LEU 66 Ca -0.01 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.74 1b86 h LEU 66 Cb 1.19 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1b86 h LEU 66 CO 0.11 0.39 0.45 0.74 0.09 0.00 0.00 178.44 180.21 1b86 h THR 67 N -0.25 0.82 -0.29 0.22 2.02 -1.25 0.79 112.91 114.97 1b86 h THR 67 Ca 0.01 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1b86 h THR 67 Cb 0.35 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1b86 h THR 67 CO 0.00 0.13 -0.29 -1.13 0.37 0.00 0.00 175.52 174.60 1b86 h ASN 68 N 0.70 0.60 -0.29 4.18 -1.24 -1.11 -2.81 115.58 115.61 1b86 h ASN 68 Ca 0.42 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 57.10 1b86 h ASN 68 Cb 0.49 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1b86 h ASN 68 CO -0.30 0.86 -0.23 0.00 -1.29 0.00 0.00 177.43 176.47 1b86 h ALA 69 N 1.18 0.42 -0.64 1.57 0.00 -0.34 -2.74 119.26 118.70 1b86 h ALA 69 Ca 0.06 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1b86 h ALA 69 Cb 0.76 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1b86 h ALA 69 CO 0.06 0.38 0.36 0.28 0.00 0.00 0.00 179.25 180.33 1b86 h VAL 70 N 0.41 0.98 0.00 0.00 2.07 -0.83 0.11 116.25 118.99 1b86 h VAL 70 Ca 0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1b86 h VAL 70 Cb 0.78 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1b86 h VAL 70 CO 0.06 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1b86 h ALA 71 N 1.33 1.00 0.00 1.67 0.00 -1.41 -2.13 119.26 119.72 1b86 h ALA 71 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1b86 h ALA 71 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1b86 h ALA 71 CO -0.17 0.00 -0.38 0.72 0.00 0.00 0.00 179.25 179.42 1b86 n HIS 72 N -2.60 0.00 0.01 0.00 8.25 -1.04 -4.86 115.22 114.97 1b86 n HIS 72 Ca 0.02 -1.06 0.22 0.00 -0.26 0.00 0.00 57.72 56.64 1b86 n HIS 72 Cb 0.30 -0.18 0.58 0.00 1.12 0.00 0.00 29.99 31.81 1b86 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1b86 h VAL 73 N 1.89 0.16 -0.02 1.59 3.04 -0.07 0.36 116.25 123.20 1b86 h VAL 73 Ca -0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1b86 h VAL 73 Cb 1.14 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1b86 h VAL 73 CO 0.01 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.04 1b86 n ASP 74 N -3.36 0.86 -2.84 3.17 8.00 -1.26 -4.24 116.55 116.88 1b86 n ASP 74 Ca 0.12 -1.33 -0.11 0.00 0.71 0.00 0.00 54.79 54.18 1b86 n ASP 74 Cb 0.99 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 42.14 1b86 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1b86 n ASP 75 N -0.31 -1.23 0.13 -2.24 2.03 0.13 -4.98 116.55 110.07 1b86 n ASP 75 Ca 0.20 -3.29 -0.02 0.00 0.52 0.00 0.00 54.79 52.20 1b86 n ASP 75 Cb 0.24 1.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.83 1b86 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1b86 h MET 76 N 2.86 0.07 -0.45 -0.67 2.86 -1.72 -2.22 114.93 115.66 1b86 h MET 76 Ca -0.07 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1b86 h MET 76 Cb 1.10 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 1b86 h MET 76 CO 0.22 0.61 0.10 -1.35 1.06 0.00 0.00 176.91 177.55 1b86 h PRO 77 N 0.06 0.23 -0.05 -0.22 0.11 -1.94 -1.50 132.00 128.69 1b86 h PRO 77 Ca -0.00 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1b86 h PRO 77 Cb 1.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1b86 h PRO 77 CO 0.08 0.15 -0.32 -0.91 -0.21 0.00 0.00 178.00 176.79 1b86 h ASN 78 N 0.24 0.37 -1.01 -2.05 4.21 -1.97 -2.59 115.58 112.77 1b86 h ASN 78 Ca 0.22 -0.68 0.26 0.00 1.21 0.00 0.00 56.30 57.31 1b86 h ASN 78 Cb 0.27 -0.11 -0.12 0.00 -1.12 0.00 0.00 38.32 37.24 1b86 h ASN 78 CO -0.28 0.99 0.61 0.00 -1.29 0.00 0.00 177.43 177.45 1b86 h ALA 79 N 0.39 1.88 -0.40 -0.83 0.00 -0.74 -2.61 119.26 116.94 1b86 h ALA 79 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b86 h ALA 79 Cb 0.99 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1b86 h ALA 79 CO 0.07 -0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1b86 n LEU 80 N -4.87 3.12 -0.26 0.00 4.77 -0.63 -4.74 117.00 114.40 1b86 n LEU 80 Ca 0.27 -2.04 0.06 0.00 -0.03 0.00 0.00 56.01 54.27 1b86 n LEU 80 Cb 0.80 -0.28 0.19 0.00 -2.33 0.00 0.00 43.42 41.80 1b86 n LEU 80 CO 0.17 0.77 0.99 0.77 -1.33 0.00 0.00 177.39 178.76 1b86 h SER 81 N 2.35 0.20 -0.28 -1.43 4.64 -1.05 0.22 113.55 118.20 1b86 h SER 81 Ca 0.00 0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1b86 h SER 81 Cb 0.80 0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 1b86 h SER 81 CO 0.01 0.06 -0.14 0.00 -0.87 0.00 0.00 176.83 175.89 1b86 h ALA 82 N 1.57 0.08 -0.10 5.18 0.00 -1.85 0.52 119.26 124.67 1b86 h ALA 82 Ca 0.42 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 1b86 h ALA 82 Cb 0.67 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1b86 h ALA 82 CO -0.44 -0.54 -0.35 1.25 0.00 0.00 0.00 179.25 179.18 1b86 h LEU 83 N -0.10 0.20 -0.40 0.00 5.85 -0.95 -2.58 115.31 117.33 1b86 h LEU 83 Ca 0.15 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1b86 h LEU 83 Cb 0.32 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1b86 h LEU 83 CO -0.34 0.54 -0.35 0.28 -0.34 0.00 0.00 178.44 178.23 1b86 h SER 84 N 0.17 1.00 0.08 1.25 0.02 -0.25 -1.73 113.55 114.08 1b86 h SER 84 Ca 0.02 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1b86 h SER 84 Cb 0.70 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1b86 h SER 84 CO 0.05 1.24 -0.43 0.44 -1.14 0.00 0.00 176.83 177.00 1b86 h ASP 85 N 0.76 -1.27 -0.56 3.07 3.32 0.37 0.32 116.42 122.43 1b86 h ASP 85 Ca 0.07 0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.38 1b86 h ASP 85 Cb 0.94 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 40.86 1b86 h ASP 85 CO 0.09 -0.48 -0.21 0.25 -1.72 0.00 0.00 179.24 177.17 1b86 h LEU 86 N -0.63 -0.73 -0.28 1.55 5.85 -1.43 0.52 115.31 120.16 1b86 h LEU 86 Ca 0.03 0.19 -0.20 0.00 0.84 0.00 0.00 57.88 58.74 1b86 h LEU 86 Cb 0.68 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1b86 h LEU 86 CO -0.27 -0.24 -0.71 0.45 -0.34 0.00 0.00 178.44 177.33 1b86 h HIS 87 N -0.07 0.90 -0.37 1.25 3.86 -1.05 0.01 115.15 119.69 1b86 h HIS 87 Ca 0.26 -0.38 -0.12 0.00 -1.16 0.00 0.00 60.37 58.97 1b86 h HIS 87 Cb 0.48 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1b86 h HIS 87 CO -0.52 1.18 -0.25 0.00 0.86 0.00 0.00 177.93 179.21 1b86 h ALA 88 N 0.72 0.53 0.00 2.45 0.00 -0.39 -0.79 119.26 121.77 1b86 h ALA 88 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1b86 h ALA 88 Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b86 h ALA 88 CO 0.14 0.52 -1.55 0.72 0.00 0.00 0.00 179.25 179.08 1b86 n HIS 89 N -4.22 0.00 0.03 0.00 8.25 0.13 -4.55 115.22 114.85 1b86 n HIS 89 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1b86 n HIS 89 Cb 0.46 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 1b86 n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1b86 n LYS 90 N -1.92 0.07 -0.06 -0.41 4.76 -0.12 -4.81 118.16 115.67 1b86 n LYS 90 Ca -0.02 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.41 1b86 n LYS 90 Cb 0.32 -0.59 0.19 0.00 -1.84 0.00 0.00 35.03 33.11 1b86 n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1b86 h LEU 91 N -0.14 0.65 -3.09 -0.35 3.38 -1.40 -3.48 115.31 110.89 1b86 h LEU 91 Ca 0.00 -0.17 -0.50 0.00 0.09 0.00 0.00 57.88 57.30 1b86 h LEU 91 Cb 0.14 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.73 1b86 h LEU 91 CO 0.00 0.77 -0.95 0.54 0.09 0.00 0.00 178.44 178.89 1b86 n ARG 92 N -4.20 -1.35 -2.65 1.13 1.74 -0.30 -4.90 116.66 106.12 1b86 n ARG 92 Ca 0.01 0.32 -0.43 0.00 -0.77 0.00 0.00 57.85 56.99 1b86 n ARG 92 Cb 0.32 -3.75 -0.02 0.00 -1.02 0.00 0.00 32.46 28.00 1b86 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1b86 s VAL 93 N -3.63 4.58 0.20 1.55 1.01 -1.25 -5.00 120.40 117.85 1b86 s VAL 93 Ca 0.36 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 63.88 1b86 s VAL 93 Cb -0.16 -4.37 -0.11 0.00 0.00 0.00 0.00 36.38 31.75 1b86 s VAL 93 CO 0.90 -0.36 1.60 -0.62 0.00 0.00 0.00 175.10 176.63 1b86 s ASP 94 N 1.47 6.52 0.35 3.32 -1.08 -1.26 -4.80 116.67 121.19 1b86 s ASP 94 Ca 0.45 2.72 0.18 0.00 -0.52 0.00 0.00 52.55 55.38 1b86 s ASP 94 Cb -0.13 -2.60 1.23 0.00 -1.46 0.00 0.00 42.92 39.95 1b86 s ASP 94 CO 0.12 -0.86 1.51 -2.65 0.52 0.00 0.00 175.17 173.80 1b86 n PRO 95 N 3.67 -0.06 -0.20 4.34 -0.02 -1.26 0.14 135.00 141.61 1b86 n PRO 95 Ca 0.13 1.33 0.09 0.00 -2.02 0.00 0.00 63.50 63.03 1b86 n PRO 95 Cb 0.38 -2.36 0.38 0.00 -0.02 0.00 0.00 33.50 31.87 1b86 n PRO 95 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1b86 h VAL 96 N 0.00 0.95 0.00 -1.45 3.04 -2.03 -1.51 116.25 115.26 1b86 h VAL 96 Ca 0.79 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 66.24 1b86 h VAL 96 Cb 2.05 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1b86 h VAL 96 CO -0.75 0.13 0.00 0.59 -1.01 0.00 0.00 177.57 176.53 1b86 n ASN 97 N -4.50 0.47 -0.15 3.17 4.13 0.36 -2.72 115.26 116.02 1b86 n ASN 97 Ca 0.13 0.63 -0.09 0.00 1.68 0.00 0.00 54.58 56.93 1b86 n ASN 97 Cb 0.32 -0.72 0.05 0.00 -1.54 0.00 0.00 39.78 37.88 1b86 n ASN 97 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 1b86 h PHE 98 N 0.00 1.06 -0.14 3.10 -1.00 -1.45 -2.52 116.94 115.99 1b86 h PHE 98 Ca 0.00 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.49 1b86 h PHE 98 Cb 0.27 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1b86 h PHE 98 CO 0.00 1.01 -0.22 0.87 -1.61 0.00 0.00 178.31 178.36 1b86 h LYS 99 N 0.83 0.24 0.15 1.51 6.56 -1.64 -0.77 116.57 123.45 1b86 h LYS 99 Ca 0.13 -0.07 -0.30 0.00 -1.06 0.00 0.00 60.65 59.35 1b86 h LYS 99 Cb 0.69 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.33 1b86 h LYS 99 CO 0.05 0.46 -1.39 -0.07 -2.06 0.00 0.00 179.45 176.44 1b86 h LEU 100 N 0.22 0.50 -0.00 2.94 3.38 -1.60 -3.23 115.31 117.52 1b86 h LEU 100 Ca 0.04 -0.58 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 1b86 h LEU 100 Cb 0.52 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1b86 h LEU 100 CO 0.04 1.46 -0.41 0.25 0.09 0.00 0.00 178.44 179.87 1b86 h LEU 101 N 0.09 0.36 -1.63 1.67 5.85 -1.42 -2.80 115.31 117.43 1b86 h LEU 101 Ca -0.19 -0.77 0.30 0.00 0.84 0.00 0.00 57.88 58.06 1b86 h LEU 101 Cb 2.03 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 1b86 h LEU 101 CO 0.21 1.08 0.74 0.28 -0.34 0.00 0.00 178.44 180.41 1b86 h SER 102 N -0.33 0.25 -0.04 1.25 0.02 -1.23 -0.41 113.55 113.07 1b86 h SER 102 Ca -0.05 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1b86 h SER 102 Cb 1.15 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.71 1b86 h SER 102 CO 0.08 0.04 -0.49 -0.74 -1.14 0.00 0.00 176.83 174.58 1b86 h HIS 103 N 0.22 0.57 0.00 3.45 -0.00 -1.57 -2.55 115.15 115.27 1b86 h HIS 103 Ca 0.58 -0.28 -0.03 0.00 -0.00 0.00 0.00 60.37 60.64 1b86 h HIS 103 Cb 1.83 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 29.16 1b86 h HIS 103 CO -0.00 1.07 -0.15 0.00 -0.00 0.00 0.00 177.93 178.85 1b86 h LEU 105 N 0.00 0.25 -0.49 0.00 4.07 -1.22 -1.40 115.31 116.53 1b86 h LEU 105 Ca -0.00 -0.66 0.01 0.00 0.08 0.00 0.00 57.88 57.30 1b86 h LEU 105 Cb 0.49 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1b86 h LEU 105 CO 0.02 0.87 0.32 0.25 -1.08 0.00 0.00 178.44 178.82 1b86 h LEU 106 N -0.35 0.55 0.14 1.67 5.85 -1.24 -0.95 115.31 120.97 1b86 h LEU 106 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1b86 h LEU 106 Cb 0.87 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1b86 h LEU 106 CO 0.04 0.40 -0.07 0.58 -0.34 0.00 0.00 178.44 179.06 1b86 h VAL 107 N 0.65 0.94 -0.32 1.05 2.07 -1.27 0.36 116.25 119.73 1b86 h VAL 107 Ca 0.18 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1b86 h VAL 107 Cb -0.07 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1b86 h VAL 107 CO -0.04 0.07 -0.01 0.74 0.02 0.00 0.00 177.57 178.34 1b86 h THR 108 N -0.32 0.75 -0.45 2.57 2.02 -0.98 0.12 112.91 116.63 1b86 h THR 108 Ca -0.02 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 1b86 h THR 108 Cb 0.25 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1b86 h THR 108 CO 0.03 0.01 -0.13 -0.07 0.37 0.00 0.00 175.52 175.73 1b86 h LEU 109 N 0.07 0.82 -0.44 2.58 3.38 -1.09 -1.93 115.31 118.70 1b86 h LEU 109 Ca 0.15 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1b86 h LEU 109 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1b86 h LEU 109 CO -0.27 0.96 0.21 0.00 0.09 0.00 0.00 178.44 179.43 1b86 h ALA 110 N 1.11 0.55 0.00 1.53 0.00 -0.37 -1.54 119.26 120.54 1b86 h ALA 110 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b86 h ALA 110 Cb 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1b86 h ALA 110 CO 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1b86 n ALA 111 N -2.33 1.59 0.03 0.00 0.00 0.38 -3.69 120.51 116.50 1b86 n ALA 111 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1b86 n ALA 111 Cb 0.13 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1b86 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1b86 n HIS 112 N -2.18 0.00 -2.52 0.00 -0.00 -0.97 -4.78 115.22 104.77 1b86 n HIS 112 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.48 1b86 n HIS 112 Cb 0.20 -0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.11 1b86 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1b86 n LEU 113 N -1.56 4.38 -0.37 2.41 4.77 -0.62 -4.94 117.00 121.08 1b86 n LEU 113 Ca -0.01 -5.10 -0.11 0.00 -0.03 0.00 0.00 56.01 50.77 1b86 n LEU 113 Cb 0.11 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1b86 n LEU 113 CO 0.09 2.18 0.48 1.55 -1.33 0.00 0.00 177.39 180.37 1b86 h PRO 114 N 2.64 -0.05 -0.98 3.23 0.13 -1.79 -0.56 132.00 134.62 1b86 h PRO 114 Ca 0.26 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.47 1b86 h PRO 114 Cb 0.93 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.00 1b86 h PRO 114 CO 0.81 -0.03 0.62 0.00 -0.23 0.00 0.00 178.00 179.17 1b86 h ALA 115 N 0.36 1.39 0.00 -0.56 0.00 -1.92 -3.17 119.26 115.36 1b86 h ALA 115 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1b86 h ALA 115 Cb 0.41 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1b86 h ALA 115 CO -0.85 0.34 -0.71 0.93 0.00 0.00 0.00 179.25 178.95 1b86 h GLU 116 N 1.07 0.00 -3.42 0.00 4.39 -1.73 -3.41 114.58 111.48 1b86 h GLU 116 Ca 0.44 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.41 1b86 h GLU 116 Cb 0.28 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.82 1b86 h GLU 116 CO -0.21 0.00 2.47 0.34 -1.16 0.00 0.00 179.01 180.45 1b86 n PHE 117 N -2.23 2.96 -1.56 4.33 7.35 -0.31 -4.75 117.46 123.25 1b86 n PHE 117 Ca 0.03 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.56 1b86 n PHE 117 Cb 0.46 -2.10 0.09 0.00 0.35 0.00 0.00 39.48 38.28 1b86 n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1b86 s THR 118 N 0.87 3.04 0.10 -2.13 2.01 -1.26 -4.77 115.64 113.49 1b86 s THR 118 Ca 0.46 0.34 -0.31 0.00 0.31 0.00 0.00 61.69 62.48 1b86 s THR 118 Cb 0.13 -3.09 -0.13 0.00 0.01 0.00 0.00 72.50 69.42 1b86 s THR 118 CO -0.04 -0.44 1.61 -0.65 -0.69 0.00 0.00 174.62 174.41 1b86 h PRO 119 N -1.09 -0.70 -0.45 4.92 0.11 -1.99 0.42 132.00 133.22 1b86 h PRO 119 Ca -0.47 0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1b86 h PRO 119 Cb 1.27 0.16 -0.09 0.00 0.11 0.00 0.00 31.00 32.45 1b86 h PRO 119 CO 0.59 -0.47 -0.20 0.00 -0.21 0.00 0.00 178.00 177.72 1b86 h ALA 120 N -0.26 0.14 -0.13 -0.75 0.00 -1.96 -0.26 119.26 116.03 1b86 h ALA 120 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1b86 h ALA 120 Cb 0.67 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1b86 h ALA 120 CO -0.10 -0.55 -0.45 0.28 0.00 0.00 0.00 179.25 178.44 1b86 h VAL 121 N -0.11 1.32 -0.52 0.00 2.07 -1.77 -2.40 116.25 114.84 1b86 h VAL 121 Ca 0.21 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1b86 h VAL 121 Cb 0.44 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1b86 h VAL 121 CO -0.51 0.49 0.26 -0.74 0.02 0.00 0.00 177.57 177.08 1b86 h HIS 122 N 0.25 0.75 0.14 1.57 6.17 0.75 -2.78 115.15 122.00 1b86 h HIS 122 Ca 0.02 -0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.07 1b86 h HIS 122 Cb 0.89 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 1b86 h HIS 122 CO 0.02 0.58 -0.17 0.00 0.71 0.00 0.00 177.93 179.07 1b86 h ALA 123 N 1.09 -0.32 -0.46 5.26 0.00 -0.96 -0.85 119.26 123.03 1b86 h ALA 123 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1b86 h ALA 123 Cb 0.11 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1b86 h ALA 123 CO -0.02 -0.71 0.15 0.77 0.00 0.00 0.00 179.25 179.44 1b86 h SER 124 N -0.36 0.14 -0.43 0.00 0.02 -1.29 -1.18 113.55 110.46 1b86 h SER 124 Ca 0.01 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1b86 h SER 124 Cb 0.35 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1b86 h SER 124 CO -0.07 0.11 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.49 1b86 h LEU 125 N 0.32 0.94 -0.62 5.07 3.38 -1.45 0.12 115.31 123.06 1b86 h LEU 125 Ca 0.22 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1b86 h LEU 125 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1b86 h LEU 125 CO -0.23 1.09 0.21 -0.78 0.09 0.00 0.00 178.44 178.83 1b86 h ASP 126 N 0.81 0.89 -0.30 -0.43 3.58 -0.11 0.25 116.42 121.10 1b86 h ASP 126 Ca 0.12 -0.19 -0.15 0.00 0.42 0.00 0.00 57.03 57.22 1b86 h ASP 126 Cb 0.73 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1b86 h ASP 126 CO 0.06 0.85 -0.38 0.11 -2.88 0.00 0.00 179.24 176.99 1b86 h LYS 127 N 0.89 0.84 0.46 0.28 1.57 -0.97 -2.37 116.57 117.27 1b86 h LYS 127 Ca 0.20 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1b86 h LYS 127 Cb 0.26 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1b86 h LYS 127 CO -0.01 1.08 -0.41 0.35 -0.57 0.00 0.00 179.45 179.89 1b86 h PHE 128 N 0.69 -1.12 -0.84 -1.35 3.57 -0.26 -1.55 116.94 116.09 1b86 h PHE 128 Ca 0.06 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1b86 h PHE 128 Cb 0.95 0.43 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 1b86 h PHE 128 CO 0.06 -0.55 0.55 -0.07 -2.23 0.00 0.00 178.31 176.06 1b86 h LEU 129 N -0.85 0.75 -1.22 0.59 3.38 -0.98 -0.76 115.31 116.22 1b86 h LEU 129 Ca -0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1b86 h LEU 129 Cb 0.72 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1b86 h LEU 129 CO -0.02 0.45 -0.06 0.00 0.09 0.00 0.00 178.44 178.90 1b86 h ALA 130 N 1.57 1.36 0.08 1.53 0.00 -1.18 -1.39 119.26 121.23 1b86 h ALA 130 Ca 0.38 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.81 1b86 h ALA 130 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1b86 h ALA 130 CO -0.15 0.44 -1.25 0.66 0.00 0.00 0.00 179.25 178.95 1b86 h SER 131 N 0.44 0.26 -0.57 0.00 4.64 -0.17 -2.47 113.55 115.67 1b86 h SER 131 Ca 0.09 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 1b86 h SER 131 Cb 0.38 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1b86 h SER 131 CO 0.02 1.24 0.16 0.58 -0.87 0.00 0.00 176.83 177.97 1b86 h VAL 132 N 0.05 1.24 -0.24 0.95 2.07 -1.03 -1.93 116.25 117.35 1b86 h VAL 132 Ca -0.13 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1b86 h VAL 132 Cb 1.92 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1b86 h VAL 132 CO 0.17 0.31 -0.20 0.28 0.02 0.00 0.00 177.57 178.15 1b86 h SER 133 N 0.81 0.42 -0.48 0.57 0.02 -1.23 -2.34 113.55 111.32 1b86 h SER 133 Ca 0.18 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1b86 h SER 133 Cb 0.31 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1b86 h SER 133 CO -0.00 0.63 -0.04 0.74 -1.14 0.00 0.00 176.83 177.02 1b86 h THR 134 N 0.39 1.27 0.57 -2.27 2.02 -1.38 -2.28 112.91 111.22 1b86 h THR 134 Ca 0.07 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 1b86 h THR 134 Cb 0.57 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1b86 h THR 134 CO 0.04 0.39 -0.27 0.58 0.37 0.00 0.00 175.52 176.63 1b86 h VAL 135 N 0.72 0.35 -0.13 3.16 2.07 -1.06 -2.78 116.25 118.58 1b86 h VAL 135 Ca 0.13 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1b86 h VAL 135 Cb 0.57 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1b86 h VAL 135 CO 0.03 0.04 0.20 -0.07 0.02 0.00 0.00 177.57 177.79 1b86 h LEU 136 N -0.96 0.00 -2.71 2.57 3.38 -1.40 -2.02 115.31 114.17 1b86 h LEU 136 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1b86 h LEU 136 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1b86 h LEU 136 CO 0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.01 1b86 n THR 137 N -3.55 0.88 0.24 0.22 -2.24 -0.86 -4.50 114.28 104.47 1b86 n THR 137 Ca 0.00 -0.94 0.09 0.00 -2.27 0.00 0.00 64.05 60.94 1b86 n THR 137 Cb 0.30 0.59 0.61 0.00 -2.10 0.00 0.00 70.33 69.73 1b86 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1b86 h SER 138 N 1.83 0.00 -0.43 3.42 4.64 -1.08 -3.06 113.55 118.87 1b86 h SER 138 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1b86 h SER 138 Cb 0.67 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.68 1b86 h SER 138 CO 0.00 0.17 0.07 0.29 -0.87 0.00 0.00 176.83 176.49 1b86 n LYS 139 N -3.92 2.62 -0.08 4.77 5.02 -1.26 -4.69 118.16 120.63 1b86 n LYS 139 Ca -0.02 -3.03 -0.05 0.00 -2.02 0.00 0.00 58.31 53.19 1b86 n LYS 139 Cb 0.26 -1.93 0.15 0.00 -0.02 0.00 0.00 35.03 33.49 1b86 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1b86 h TYR 140 N 1.61 0.79 0.00 2.13 -1.99 -1.85 -3.46 116.97 114.20 1b86 h TYR 140 Ca 0.18 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1b86 h TYR 140 Cb 1.79 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 40.32 1b86 h TYR 140 CO 0.91 0.80 0.00 2.89 -0.00 0.00 0.00 178.16 182.76