#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic0 s LEU 2 N 0.00 4.44 0.73 7.52 1.02 -1.26 -5.08 118.68 126.05 3ic0 s LEU 2 Ca 0.00 1.28 -0.07 0.00 0.02 0.00 0.00 54.13 55.37 3ic0 s LEU 2 Cb 0.00 -3.19 0.09 0.00 0.02 0.00 0.00 46.19 43.11 3ic0 s LEU 2 CO 0.00 0.17 1.04 -0.94 0.02 0.00 0.00 176.35 176.64 3ic0 s SER 3 N -1.40 4.52 0.29 2.29 1.04 -1.26 -4.88 113.70 114.30 3ic0 s SER 3 Ca 0.35 0.27 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 3ic0 s SER 3 Cb -0.18 -0.80 0.40 0.00 0.10 0.00 0.00 66.02 65.54 3ic0 s SER 3 CO 0.20 -1.78 1.93 -0.65 0.98 0.00 0.00 173.24 173.93 3ic0 h PRO 4 N -0.70 1.08 -0.43 4.02 0.11 -2.00 -1.26 132.00 132.83 3ic0 h PRO 4 Ca -0.43 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 3ic0 h PRO 4 Cb 1.30 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3ic0 h PRO 4 CO 0.53 0.75 -0.16 0.00 -0.21 0.00 0.00 178.00 178.92 3ic0 h ALA 5 N 1.43 0.91 -0.70 -0.75 0.00 -1.99 -2.25 119.26 115.91 3ic0 h ALA 5 Ca 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ic0 h ALA 5 Cb -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3ic0 h ALA 5 CO -0.05 0.62 0.46 -0.44 0.00 0.00 0.00 179.25 179.84 3ic0 h ASP 6 N 0.72 0.80 -0.64 0.00 3.32 -1.72 0.73 116.42 119.63 3ic0 h ASP 6 Ca 0.11 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3ic0 h ASP 6 Cb 0.67 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3ic0 h ASP 6 CO 0.05 0.58 0.28 0.11 -1.72 0.00 0.00 179.24 178.53 3ic0 h LYS 7 N 0.94 0.98 -0.31 3.56 1.57 -0.81 0.14 116.57 122.65 3ic0 h LYS 7 Ca 0.26 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 3ic0 h LYS 7 Cb -0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3ic0 h LYS 7 CO -0.06 0.79 -0.39 1.15 -0.57 0.00 0.00 179.45 180.37 3ic0 h THR 8 N 0.96 1.29 -0.43 -0.16 2.02 -1.00 -1.68 112.91 113.91 3ic0 h THR 8 Ca 0.23 -1.56 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 3ic0 h THR 8 Cb 0.17 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3ic0 h THR 8 CO -0.02 0.51 0.04 0.78 0.37 0.00 0.00 175.52 177.19 3ic0 h ASN 9 N 0.60 0.71 -0.39 4.18 2.35 -0.11 -1.00 115.58 121.92 3ic0 h ASN 9 Ca 0.05 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 3ic0 h ASN 9 Cb 0.94 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3ic0 h ASN 9 CO 0.09 0.81 0.10 0.58 -1.65 0.00 0.00 177.43 177.36 3ic0 h VAL 10 N 0.58 1.22 -0.56 2.81 2.07 -0.56 0.26 116.25 122.08 3ic0 h VAL 10 Ca 0.13 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3ic0 h VAL 10 Cb 0.43 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ic0 h VAL 10 CO 0.01 0.26 0.18 0.11 0.02 0.00 0.00 177.57 178.16 3ic0 h LYS 11 N 0.48 0.86 -0.05 1.57 1.57 -1.29 -0.68 116.57 119.04 3ic0 h LYS 11 Ca 0.12 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3ic0 h LYS 11 Cb 0.30 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3ic0 h LYS 11 CO 0.00 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3ic0 h ALA 12 N 1.04 0.07 -0.33 3.86 0.00 -1.01 -0.07 119.26 122.81 3ic0 h ALA 12 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ic0 h ALA 12 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ic0 h ALA 12 CO -0.01 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.15 3ic0 h ALA 13 N 0.72 0.43 -0.07 0.00 0.00 -0.93 -0.15 119.26 119.27 3ic0 h ALA 13 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ic0 h ALA 13 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ic0 h ALA 13 CO 0.00 -0.02 -0.26 2.35 0.00 0.00 0.00 179.25 181.32 3ic0 h TRP 14 N 0.40 0.13 -0.32 0.00 2.91 -1.11 -0.83 115.95 117.14 3ic0 h TRP 14 Ca 0.11 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 3ic0 h TRP 14 Cb 0.10 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 3ic0 h TRP 14 CO -0.02 0.38 0.13 0.78 -1.03 0.00 0.00 178.44 178.68 3ic0 h GLY 15 N 0.90 0.50 1.42 2.65 0.00 -0.43 -0.79 103.07 107.33 3ic0 h GLY 15 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3ic0 h GLY 15 CO 0.04 0.25 0.23 0.50 0.00 0.00 0.00 176.54 177.56 3ic0 h LYS 16 N 0.36 0.75 -0.93 4.80 1.79 -0.18 -1.22 116.57 121.94 3ic0 h LYS 16 Ca 0.11 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3ic0 h LYS 16 Cb 0.17 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 3ic0 h LYS 16 CO -0.01 0.60 0.56 0.28 -1.08 0.00 0.00 179.45 179.80 3ic0 h VAL 17 N 0.75 1.26 0.00 0.50 2.07 -0.60 -3.46 116.25 116.77 3ic0 h VAL 17 Ca 0.18 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ic0 h VAL 17 Cb 0.12 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3ic0 h VAL 17 CO -0.02 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.45 3ic0 n GLY 18 N -1.23 2.86 0.09 2.17 0.00 -0.35 -1.92 105.19 106.81 3ic0 n GLY 18 Ca 0.10 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3ic0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic0 n ALA 19 N 9.06 1.40 1.73 4.61 0.00 -1.26 -2.42 120.51 133.63 3ic0 n ALA 19 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3ic0 n ALA 19 Cb 0.00 -1.28 0.66 0.00 0.00 0.00 0.00 19.45 18.83 3ic0 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ic0 n HIS 20 N -1.98 0.03 -0.09 0.00 8.25 -0.81 -4.41 115.22 116.22 3ic0 n HIS 20 Ca 0.01 -0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3ic0 n HIS 20 Cb 0.13 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.25 3ic0 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ic0 h ALA 21 N 4.04 0.30 -0.46 -1.41 0.00 -1.61 -0.96 119.26 119.15 3ic0 h ALA 21 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ic0 h ALA 21 Cb 0.23 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3ic0 h ALA 21 CO 0.00 -0.41 0.15 0.78 0.00 0.00 0.00 179.25 179.78 3ic0 h GLY 22 N 0.09 0.60 1.00 0.00 0.00 -1.82 0.80 103.07 103.73 3ic0 h GLY 22 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ic0 h GLY 22 CO -0.28 0.00 0.40 0.83 0.00 0.00 0.00 176.54 177.50 3ic0 h GLU 23 N 0.32 0.82 -0.49 4.80 5.08 -1.73 -1.23 114.58 122.14 3ic0 h GLU 23 Ca 0.22 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3ic0 h GLU 23 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ic0 h GLU 23 CO -0.24 0.55 -0.10 1.88 -1.00 0.00 0.00 179.01 180.11 3ic0 h TYR 24 N 0.84 1.00 -0.61 4.33 0.05 -0.49 -0.01 116.97 122.08 3ic0 h TYR 24 Ca 0.23 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 3ic0 h TYR 24 Cb -0.08 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 3ic0 h TYR 24 CO -0.03 0.95 0.05 0.78 -1.05 0.00 0.00 178.16 178.86 3ic0 h GLY 25 N 0.97 1.10 0.98 3.88 0.00 -0.56 0.26 103.07 109.71 3ic0 h GLY 25 Ca 0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 3ic0 h GLY 25 CO 0.04 0.70 0.15 0.00 0.00 0.00 0.00 176.54 177.43 3ic0 h ALA 26 N 1.10 0.69 -0.37 3.60 0.00 -0.85 -1.15 119.26 122.27 3ic0 h ALA 26 Ca 0.18 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3ic0 h ALA 26 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ic0 h ALA 26 CO 0.02 0.37 -0.34 1.49 0.00 0.00 0.00 179.25 180.79 3ic0 h GLU 27 N 0.73 0.85 -0.63 0.00 4.81 -0.77 -1.11 114.58 118.47 3ic0 h GLU 27 Ca 0.17 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3ic0 h GLU 27 Cb 0.30 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 3ic0 h GLU 27 CO -0.00 1.06 0.40 0.00 -0.73 0.00 0.00 179.01 179.73 3ic0 h ALA 28 N 0.90 0.81 -0.67 2.92 0.00 -0.80 0.26 119.26 122.68 3ic0 h ALA 28 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ic0 h ALA 28 Cb 0.90 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3ic0 h ALA 28 CO 0.08 0.18 0.28 -0.07 0.00 0.00 0.00 179.25 179.72 3ic0 h LEU 29 N 0.80 0.91 -0.52 0.00 3.38 -0.93 -1.31 115.31 117.64 3ic0 h LEU 29 Ca 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3ic0 h LEU 29 Cb -0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ic0 h LEU 29 CO -0.08 0.82 0.10 -0.08 0.09 0.00 0.00 178.44 179.30 3ic0 h GLU 30 N 0.94 0.86 -0.72 1.13 4.81 -0.57 -0.90 114.58 120.13 3ic0 h GLU 30 Ca 0.22 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ic0 h GLU 30 Cb 0.19 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ic0 h GLU 30 CO -0.02 0.83 0.40 0.00 -0.73 0.00 0.00 179.01 179.49 3ic0 h ARG 31 N 0.74 1.00 -0.23 1.92 3.08 -0.32 -2.14 114.38 118.45 3ic0 h ARG 31 Ca 0.16 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3ic0 h ARG 31 Cb 0.38 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ic0 h ARG 31 CO 0.01 0.75 0.09 1.98 -1.07 0.00 0.00 179.97 181.73 3ic0 h MET 32 N 0.99 0.33 -0.46 0.04 4.05 -0.76 0.48 114.93 119.60 3ic0 h MET 32 Ca 0.25 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 3ic0 h MET 32 Cb 0.04 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3ic0 h MET 32 CO -0.04 0.38 0.21 0.74 0.23 0.00 0.00 176.91 178.43 3ic0 h PHE 33 N 0.22 0.63 0.07 1.39 0.04 -1.04 0.30 116.94 118.55 3ic0 h PHE 33 Ca 0.08 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.69 3ic0 h PHE 33 Cb 0.16 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.13 3ic0 h PHE 33 CO -0.01 0.48 -0.60 -0.07 -0.60 0.00 0.00 178.31 177.50 3ic0 h LEU 34 N 0.65 0.41 -0.69 1.54 3.38 -1.22 -3.23 115.31 116.14 3ic0 h LEU 34 Ca 0.16 -0.88 -0.14 0.00 0.09 0.00 0.00 57.88 57.11 3ic0 h LEU 34 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ic0 h LEU 34 CO -0.02 1.25 -0.65 0.28 0.09 0.00 0.00 178.44 179.38 3ic0 h SER 35 N -0.38 0.01 -2.38 -0.43 0.02 -0.68 -3.37 113.55 106.35 3ic0 h SER 35 Ca -0.09 -0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 60.26 3ic0 h SER 35 Cb 1.40 -0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.55 3ic0 h SER 35 CO 0.11 0.66 -0.93 0.49 -1.14 0.00 0.00 176.83 176.03 3ic0 n PHE 36 N -3.77 0.05 0.29 3.45 3.72 0.10 -4.99 117.46 116.32 3ic0 n PHE 36 Ca -0.01 -3.55 0.19 0.00 -0.05 0.00 0.00 57.45 54.02 3ic0 n PHE 36 Cb 0.65 -0.04 0.96 0.00 -0.94 0.00 0.00 39.48 40.10 3ic0 n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ic0 h PRO 37 N 5.15 0.00 0.00 -1.08 0.13 -1.73 -0.52 132.00 133.96 3ic0 h PRO 37 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 3ic0 h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ic0 h PRO 37 CO 0.47 0.00 -0.04 1.79 -0.23 0.00 0.00 178.00 179.99 3ic0 h THR 38 N 0.00 0.31 0.00 1.56 1.35 -1.92 -0.90 112.91 113.31 3ic0 h THR 38 Ca 0.03 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.65 3ic0 h THR 38 Cb 0.39 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3ic0 h THR 38 CO -0.00 0.04 -0.11 0.71 -0.25 0.00 0.00 175.52 175.90 3ic0 h THR 39 N 0.00 0.63 0.00 6.82 1.35 -1.41 -2.17 112.91 118.12 3ic0 h THR 39 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3ic0 h THR 39 Cb 0.16 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3ic0 h THR 39 CO 0.00 0.11 0.00 0.11 -0.25 0.00 0.00 175.52 175.50 3ic0 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.33 -1.91 116.57 119.61 3ic0 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ic0 h LYS 40 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3ic0 h LYS 40 CO 0.01 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.14 3ic0 n THR 41 N -3.02 0.90 0.80 -0.16 -2.24 -0.82 -0.60 114.28 109.14 3ic0 n THR 41 Ca -0.01 0.39 0.13 0.00 -2.27 0.00 0.00 64.05 62.29 3ic0 n THR 41 Cb 0.18 -1.35 0.38 0.00 -2.10 0.00 0.00 70.33 67.44 3ic0 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ic0 n TYR 42 N -2.25 0.37 -2.71 4.78 4.01 -0.72 -4.16 117.16 116.48 3ic0 n TYR 42 Ca 0.01 0.11 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 3ic0 n TYR 42 Cb 0.17 -0.60 -0.01 0.00 -0.31 0.00 0.00 39.34 38.59 3ic0 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ic0 n PHE 43 N -1.84 2.98 0.22 -0.72 3.01 0.23 -4.91 117.46 116.44 3ic0 n PHE 43 Ca 0.05 -3.40 0.07 0.00 1.01 0.00 0.00 57.45 55.19 3ic0 n PHE 43 Cb 0.39 -0.28 0.59 0.00 -0.01 0.00 0.00 39.48 40.18 3ic0 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3ic0 h PRO 44 N 2.80 0.07 -0.01 -1.08 0.13 -1.72 -2.63 132.00 129.55 3ic0 h PRO 44 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ic0 h PRO 44 Cb 0.84 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ic0 h PRO 44 CO 0.76 0.07 -0.08 0.72 -0.23 0.00 0.00 178.00 179.24 3ic0 n HIS 45 N -4.50 0.00 -2.93 1.56 8.25 -1.26 -4.92 115.22 111.42 3ic0 n HIS 45 Ca -0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 3ic0 n HIS 45 Cb 0.11 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 3ic0 n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3ic0 s PHE 46 N -2.23 3.41 -0.36 4.41 0.40 -0.99 -5.03 117.98 117.59 3ic0 s PHE 46 Ca 0.34 1.23 -0.25 0.00 -0.60 0.00 0.00 56.93 57.65 3ic0 s PHE 46 Cb 0.21 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 41.18 3ic0 s PHE 46 CO 0.41 -0.05 0.89 0.34 0.70 0.00 0.00 175.22 177.52 3ic0 s ASP 47 N -2.64 6.66 -0.12 1.36 2.15 -1.26 -4.91 116.67 117.91 3ic0 s ASP 47 Ca 0.55 0.56 0.15 0.00 0.43 0.00 0.00 52.55 54.23 3ic0 s ASP 47 Cb -0.10 -2.45 0.49 0.00 -0.30 0.00 0.00 42.92 40.56 3ic0 s ASP 47 CO 0.23 -0.82 1.41 0.18 -0.17 0.00 0.00 175.17 176.00 3ic0 n LEU 48 N 6.66 3.77 -4.75 -1.34 4.77 -1.26 -4.30 117.00 120.56 3ic0 n LEU 48 Ca 0.06 -2.61 -0.32 0.00 -0.03 0.00 0.00 56.01 53.11 3ic0 n LEU 48 Cb 0.48 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3ic0 n LEU 48 CO 0.57 0.71 0.72 -0.94 -1.33 0.00 0.00 177.39 177.11 3ic0 s SER 49 N -1.45 4.33 0.18 -1.43 1.04 -1.26 -4.89 113.70 110.21 3ic0 s SER 49 Ca 0.38 2.01 -0.33 0.00 0.48 0.00 0.00 55.95 58.48 3ic0 s SER 49 Cb 0.27 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.70 3ic0 s SER 49 CO 0.13 -2.15 1.47 1.57 0.98 0.00 0.00 173.24 175.24 3ic0 n HIS 50 N -3.26 2.08 -0.84 5.02 -0.00 -1.26 -1.18 115.22 115.79 3ic0 n HIS 50 Ca 0.10 0.39 0.00 0.00 0.46 0.00 0.00 57.72 58.68 3ic0 n HIS 50 Cb 0.52 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 3ic0 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ic0 n GLY 51 N 2.82 1.13 3.59 1.57 0.00 -1.26 -4.98 105.19 108.04 3ic0 n GLY 51 Ca 0.15 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 3ic0 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ic0 n SER 52 N 0.00 1.55 0.20 1.61 2.88 -0.32 -4.85 113.62 114.69 3ic0 n SER 52 Ca 0.00 1.12 0.04 0.00 -1.33 0.00 0.00 58.87 58.70 3ic0 n SER 52 Cb 0.00 -1.17 0.40 0.00 -0.75 0.00 0.00 64.21 62.68 3ic0 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ic0 h ALA 53 N 4.48 1.42 -0.43 -1.46 0.00 -1.90 -1.73 119.26 119.64 3ic0 h ALA 53 Ca -0.48 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 3ic0 h ALA 53 Cb 1.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3ic0 h ALA 53 CO 0.77 0.41 -0.14 0.37 0.00 0.00 0.00 179.25 180.66 3ic0 h GLN 54 N 0.00 0.79 -0.28 0.00 4.15 -1.89 -0.49 115.11 117.40 3ic0 h GLN 54 Ca -0.00 -0.28 -0.19 0.00 0.77 0.00 0.00 58.65 58.95 3ic0 h GLN 54 Cb 0.60 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3ic0 h GLN 54 CO 0.04 0.89 -0.57 0.28 -1.93 0.00 0.00 178.83 177.54 3ic0 h VAL 55 N 0.71 1.27 -0.99 2.39 2.07 -1.60 -0.29 116.25 119.81 3ic0 h VAL 55 Ca 0.11 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.90 3ic0 h VAL 55 Cb 0.63 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3ic0 h VAL 55 CO 0.04 0.57 0.66 0.11 0.02 0.00 0.00 177.57 178.97 3ic0 h LYS 56 N 0.66 1.28 -0.35 1.57 1.57 -1.17 0.63 116.57 120.76 3ic0 h LYS 56 Ca 0.01 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3ic0 h LYS 56 Cb 1.18 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3ic0 h LYS 56 CO 0.13 0.85 -0.38 0.78 -0.57 0.00 0.00 179.45 180.25 3ic0 h GLY 57 N 1.32 0.92 1.90 3.86 0.00 -0.92 -2.84 103.07 107.32 3ic0 h GLY 57 Ca 0.37 -0.93 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 3ic0 h GLY 57 CO -0.09 0.84 -0.63 0.84 0.00 0.00 0.00 176.54 177.50 3ic0 h HIS 58 N 0.70 0.14 -0.30 5.60 -0.00 -0.59 -3.04 115.15 117.65 3ic0 h HIS 58 Ca 0.06 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3ic0 h HIS 58 Cb 0.95 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 3ic0 h HIS 58 CO 0.06 0.70 0.03 0.78 -0.00 0.00 0.00 177.93 179.50 3ic0 h GLY 59 N 1.72 0.48 1.03 5.26 0.00 -0.70 -1.23 103.07 109.63 3ic0 h GLY 59 Ca -0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3ic0 h GLY 59 CO 0.09 0.24 -0.14 1.70 0.00 0.00 0.00 176.54 178.43 3ic0 h LYS 60 N 0.44 0.87 -0.20 4.80 3.64 -1.41 -0.78 116.57 123.93 3ic0 h LYS 60 Ca 0.10 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3ic0 h LYS 60 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ic0 h LYS 60 CO 0.00 0.99 0.12 0.87 -2.27 0.00 0.00 179.45 179.16 3ic0 h LYS 61 N 0.70 0.26 -0.25 1.90 1.57 -1.19 0.88 116.57 120.45 3ic0 h LYS 61 Ca 0.11 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3ic0 h LYS 61 Cb 0.69 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 3ic0 h LYS 61 CO 0.05 0.21 0.01 0.28 -0.57 0.00 0.00 179.45 179.43 3ic0 h VAL 62 N 0.24 0.83 -0.56 0.50 2.07 -1.16 -1.05 116.25 117.12 3ic0 h VAL 62 Ca 0.07 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3ic0 h VAL 62 Cb 0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3ic0 h VAL 62 CO -0.01 0.02 0.35 0.00 0.02 0.00 0.00 177.57 177.95 3ic0 h ALA 63 N 1.21 0.72 -0.15 1.67 0.00 -0.94 -1.01 119.26 120.76 3ic0 h ALA 63 Ca 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ic0 h ALA 63 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ic0 h ALA 63 CO -0.19 0.10 -0.17 -0.44 0.00 0.00 0.00 179.25 178.54 3ic0 h ASP 64 N 0.71 0.23 -0.11 0.00 3.32 -0.52 0.17 116.42 120.22 3ic0 h ASP 64 Ca 0.22 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3ic0 h ASP 64 Cb -0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3ic0 h ASP 64 CO -0.08 0.43 -0.37 0.00 -1.72 0.00 0.00 179.24 177.50 3ic0 h ALA 65 N 1.60 0.84 -0.35 3.45 0.00 -0.34 -1.78 119.26 122.68 3ic0 h ALA 65 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3ic0 h ALA 65 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ic0 h ALA 65 CO 0.03 0.64 -0.35 -0.07 0.00 0.00 0.00 179.25 179.50 3ic0 h LEU 66 N 0.52 0.91 -0.95 0.00 3.38 -0.57 -0.33 115.31 118.28 3ic0 h LEU 66 Ca 0.05 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.62 3ic0 h LEU 66 Cb 0.88 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3ic0 h LEU 66 CO 0.08 1.19 0.60 0.74 0.09 0.00 0.00 178.44 181.14 3ic0 h THR 67 N 0.65 1.06 -0.66 0.22 2.02 -0.80 0.23 112.91 115.63 3ic0 h THR 67 Ca 0.06 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 3ic0 h THR 67 Cb 0.94 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3ic0 h THR 67 CO 0.09 0.20 0.26 -1.13 0.37 0.00 0.00 175.52 175.30 3ic0 h ASN 68 N 1.09 0.92 -0.51 4.18 -1.24 -1.01 -1.56 115.58 117.44 3ic0 h ASN 68 Ca 0.41 -0.18 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 3ic0 h ASN 68 Cb 0.19 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 3ic0 h ASN 68 CO -0.18 0.85 0.19 0.00 -1.29 0.00 0.00 177.43 177.00 3ic0 h ALA 69 N 1.11 0.67 -0.86 1.57 0.00 0.77 -1.80 119.26 120.72 3ic0 h ALA 69 Ca 0.22 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ic0 h ALA 69 Cb 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3ic0 h ALA 69 CO -0.02 0.29 0.54 0.28 0.00 0.00 0.00 179.25 180.35 3ic0 h VAL 70 N 0.69 1.09 0.00 0.00 2.07 -0.25 0.13 116.25 119.98 3ic0 h VAL 70 Ca 0.17 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ic0 h VAL 70 Cb 0.22 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3ic0 h VAL 70 CO -0.01 0.19 -0.09 0.00 0.02 0.00 0.00 177.57 177.68 3ic0 h ALA 71 N 1.38 1.01 -0.26 1.67 0.00 -0.97 -3.00 119.26 119.08 3ic0 h ALA 71 Ca 0.36 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 3ic0 h ALA 71 Cb 0.08 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 3ic0 h ALA 71 CO -0.14 0.11 -0.67 0.72 0.00 0.00 0.00 179.25 179.26 3ic0 n HIS 72 N -3.21 0.94 -0.01 0.00 8.25 -0.71 -4.84 115.22 115.65 3ic0 n HIS 72 Ca 0.01 -1.68 0.23 0.00 -0.26 0.00 0.00 57.72 56.02 3ic0 n HIS 72 Cb 0.37 -0.27 0.72 0.00 1.12 0.00 0.00 29.99 31.93 3ic0 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3ic0 h VAL 73 N 2.06 0.42 0.00 1.59 3.04 -0.62 0.72 116.25 123.46 3ic0 h VAL 73 Ca 0.09 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.76 3ic0 h VAL 73 Cb 1.26 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 3ic0 h VAL 73 CO 0.26 0.00 -0.13 0.44 -1.01 0.00 0.00 177.57 177.13 3ic0 h ASP 74 N 0.00 0.00 -1.27 3.17 3.45 -1.88 -3.37 116.42 116.52 3ic0 h ASP 74 Ca 0.28 0.00 -0.43 0.00 0.43 0.00 0.00 57.03 57.31 3ic0 h ASP 74 Cb 1.37 0.00 -0.29 0.00 -0.56 0.00 0.00 39.33 39.84 3ic0 h ASP 74 CO -0.00 0.13 -0.87 -0.67 -1.57 0.00 0.00 179.24 176.26 3ic0 n ASP 75 N -3.18 -1.06 -0.03 6.45 2.03 0.22 -5.00 116.55 115.99 3ic0 n ASP 75 Ca 0.02 -2.91 -0.04 0.00 0.52 0.00 0.00 54.79 52.38 3ic0 n ASP 75 Cb 0.48 0.32 0.19 0.00 -0.72 0.00 0.00 41.12 41.38 3ic0 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3ic0 h MET 76 N 4.09 0.59 -0.54 -0.67 2.86 -1.67 -2.75 114.93 116.84 3ic0 h MET 76 Ca -0.00 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.49 3ic0 h MET 76 Cb 0.94 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 3ic0 h MET 76 CO 0.40 0.74 0.28 -1.35 1.06 0.00 0.00 176.91 178.03 3ic0 h PRO 77 N 0.54 0.52 0.17 -0.22 0.11 -1.94 0.26 132.00 131.43 3ic0 h PRO 77 Ca 0.09 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 3ic0 h PRO 77 Cb 0.59 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3ic0 h PRO 77 CO 0.04 0.34 -0.08 -0.97 -0.21 0.00 0.00 178.00 177.12 3ic0 h ASN 78 N 0.53 -0.19 -0.34 -2.05 -0.73 -1.95 -2.09 115.58 108.76 3ic0 h ASN 78 Ca 0.24 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 3ic0 h ASN 78 Cb 0.15 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 3ic0 h ASN 78 CO -0.16 0.04 0.19 0.00 -0.37 0.00 0.00 177.43 177.12 3ic0 h ALA 79 N 0.38 1.65 -0.41 1.57 0.00 -1.17 -2.99 119.26 118.29 3ic0 h ALA 79 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ic0 h ALA 79 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ic0 h ALA 79 CO 0.04 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.86 3ic0 n LEU 80 N -4.43 4.60 -0.27 0.00 4.77 0.89 -4.74 117.00 117.82 3ic0 n LEU 80 Ca 0.02 -2.89 0.03 0.00 -0.03 0.00 0.00 56.01 53.15 3ic0 n LEU 80 Cb 0.10 -0.58 0.17 0.00 -2.33 0.00 0.00 43.42 40.78 3ic0 n LEU 80 CO 0.36 0.67 1.09 0.77 -1.33 0.00 0.00 177.39 178.95 3ic0 h SER 81 N 2.81 0.52 -0.46 -1.43 4.64 -1.22 0.43 113.55 118.84 3ic0 h SER 81 Ca 0.00 0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3ic0 h SER 81 Cb 1.61 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 3ic0 h SER 81 CO 0.31 0.28 0.18 0.00 -0.87 0.00 0.00 176.83 176.73 3ic0 h ALA 82 N 1.47 0.60 -0.26 5.18 0.00 -1.86 -0.21 119.26 124.18 3ic0 h ALA 82 Ca 0.39 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ic0 h ALA 82 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ic0 h ALA 82 CO -0.29 0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 178.88 3ic0 h LEU 83 N 0.60 0.47 -0.45 0.00 3.38 -1.64 -0.63 115.31 117.05 3ic0 h LEU 83 Ca 0.15 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3ic0 h LEU 83 Cb 0.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ic0 h LEU 83 CO -0.01 0.69 0.00 -1.28 0.09 0.00 0.00 178.44 177.93 3ic0 h SER 84 N 0.43 0.77 -0.48 -0.43 0.87 -0.65 -0.27 113.55 113.79 3ic0 h SER 84 Ca 0.07 -0.31 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 3ic0 h SER 84 Cb 0.61 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3ic0 h SER 84 CO 0.04 0.89 0.23 -0.78 -0.53 0.00 0.00 176.83 176.68 3ic0 h ASP 85 N 0.63 0.32 0.18 6.23 1.82 -0.64 0.25 116.42 125.23 3ic0 h ASP 85 Ca 0.13 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 3ic0 h ASP 85 Cb 0.49 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.48 3ic0 h ASP 85 CO 0.02 0.23 -0.09 0.25 -1.61 0.00 0.00 179.24 178.04 3ic0 h LEU 86 N 0.46 -0.21 -0.06 2.28 5.85 -0.73 -1.49 115.31 121.41 3ic0 h LEU 86 Ca 0.21 -0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 3ic0 h LEU 86 Cb 0.14 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ic0 h LEU 86 CO -0.16 -0.03 -1.05 0.45 -0.34 0.00 0.00 178.44 177.31 3ic0 h HIS 87 N -0.38 0.39 0.05 1.25 3.86 -0.84 -0.10 115.15 119.38 3ic0 h HIS 87 Ca -0.03 -0.25 -0.38 0.00 -1.16 0.00 0.00 60.37 58.56 3ic0 h HIS 87 Cb 0.30 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 3ic0 h HIS 87 CO -0.02 1.13 -2.20 0.00 0.86 0.00 0.00 177.93 177.69 3ic0 n ALA 88 N -2.49 1.15 0.03 2.45 0.00 0.87 -1.35 120.51 121.17 3ic0 n ALA 88 Ca -0.06 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.33 3ic0 n ALA 88 Cb 0.92 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 3ic0 n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ic0 h HIS 89 N -0.12 0.51 0.02 0.00 3.86 -1.28 -3.35 115.15 114.79 3ic0 h HIS 89 Ca -0.51 -0.37 -0.33 0.00 -1.16 0.00 0.00 60.37 58.00 3ic0 h HIS 89 Cb 1.89 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 30.30 3ic0 h HIS 89 CO 0.05 1.64 -1.80 1.63 0.86 0.00 0.00 177.93 180.31 3ic0 n LYS 90 N -3.47 0.61 0.04 2.45 5.02 -0.64 -4.59 118.16 117.57 3ic0 n LYS 90 Ca -0.27 0.42 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 3ic0 n LYS 90 Cb 1.06 -1.66 -0.07 0.00 -0.02 0.00 0.00 35.03 34.34 3ic0 n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ic0 n LEU 91 N -4.17 0.84 -3.63 -0.35 4.77 -0.06 -5.00 117.00 109.40 3ic0 n LEU 91 Ca -0.39 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 3ic0 n LEU 91 Cb 0.81 0.06 0.04 0.00 -2.33 0.00 0.00 43.42 42.00 3ic0 n LEU 91 CO 0.19 0.09 -0.03 0.54 -1.33 0.00 0.00 177.39 176.84 3ic0 n ARG 92 N -2.85 -4.93 -2.05 3.23 1.74 -0.46 -4.91 116.66 106.44 3ic0 n ARG 92 Ca -0.08 0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 3ic0 n ARG 92 Cb 0.79 -5.28 -0.03 0.00 -1.02 0.00 0.00 32.46 26.93 3ic0 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ic0 s VAL 93 N -3.60 3.27 0.21 1.55 1.01 -0.74 -4.95 120.40 117.16 3ic0 s VAL 93 Ca 0.04 0.73 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 3ic0 s VAL 93 Cb -0.01 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 3ic0 s VAL 93 CO 0.80 0.00 1.61 -0.62 0.00 0.00 0.00 175.10 176.89 3ic0 s ASP 94 N 2.09 6.49 0.60 3.32 -1.08 -1.26 -4.87 116.67 121.97 3ic0 s ASP 94 Ca 0.70 2.76 0.30 0.00 -0.52 0.00 0.00 52.55 55.78 3ic0 s ASP 94 Cb -0.37 -2.60 1.64 0.00 -1.46 0.00 0.00 42.92 40.13 3ic0 s ASP 94 CO 0.30 -0.88 2.03 1.55 0.52 0.00 0.00 175.17 178.70 3ic0 h PRO 95 N 6.34 0.00 -0.79 4.34 0.13 -1.96 -1.10 132.00 138.96 3ic0 h PRO 95 Ca -0.44 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 3ic0 h PRO 95 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3ic0 h PRO 95 CO 0.90 0.00 0.52 -0.24 -0.23 0.00 0.00 178.00 178.94 3ic0 h VAL 96 N 0.00 0.93 0.00 1.56 3.04 -2.01 -1.21 116.25 118.57 3ic0 h VAL 96 Ca 0.10 -0.24 -0.06 0.00 -1.01 0.00 0.00 66.70 65.50 3ic0 h VAL 96 Cb 0.68 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 3ic0 h VAL 96 CO -0.00 0.13 -0.28 0.78 -1.01 0.00 0.00 177.57 177.19 3ic0 h ASN 97 N 0.70 0.00 -0.07 3.17 2.35 -1.56 -1.64 115.58 118.53 3ic0 h ASN 97 Ca 0.37 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.00 3ic0 h ASN 97 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3ic0 h ASN 97 CO -0.14 0.28 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.35 3ic0 h PHE 98 N 0.00 0.62 -0.71 1.19 -1.00 -1.34 -0.92 116.94 114.78 3ic0 h PHE 98 Ca -0.00 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 3ic0 h PHE 98 Cb 0.50 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 3ic0 h PHE 98 CO 0.00 0.79 0.16 0.87 -1.61 0.00 0.00 178.31 178.52 3ic0 h LYS 99 N 0.47 1.14 -0.14 1.51 1.57 -1.15 0.01 116.57 119.99 3ic0 h LYS 99 Ca 0.06 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3ic0 h LYS 99 Cb 0.77 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3ic0 h LYS 99 CO 0.06 1.01 0.02 -0.07 -0.57 0.00 0.00 179.45 179.91 3ic0 h LEU 100 N 1.08 0.22 -0.58 2.94 3.38 -0.92 -1.49 115.31 119.93 3ic0 h LEU 100 Ca 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3ic0 h LEU 100 Cb 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ic0 h LEU 100 CO 0.01 0.43 0.21 0.25 0.09 0.00 0.00 178.44 179.42 3ic0 h LEU 101 N 0.00 0.82 -0.56 1.67 5.85 -1.11 -1.12 115.31 120.86 3ic0 h LEU 101 Ca 0.04 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3ic0 h LEU 101 Cb 0.30 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3ic0 h LEU 101 CO 0.00 0.79 0.32 0.28 -0.34 0.00 0.00 178.44 179.49 3ic0 h SER 102 N 0.81 0.49 -0.48 1.25 0.02 -0.94 0.68 113.55 115.39 3ic0 h SER 102 Ca 0.19 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3ic0 h SER 102 Cb 0.24 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3ic0 h SER 102 CO -0.01 0.34 0.25 -0.74 -1.14 0.00 0.00 176.83 175.53 3ic0 h HIS 103 N 0.62 0.66 -0.22 3.45 -0.00 -0.97 -1.62 115.15 117.07 3ic0 h HIS 103 Ca 0.24 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 3ic0 h HIS 103 Cb 0.09 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3ic0 h HIS 103 CO -0.08 0.50 -0.12 0.00 -0.00 0.00 0.00 177.93 178.23 3ic0 h LEU 105 N 0.34 0.81 -0.91 0.00 5.85 -0.56 -0.26 115.31 120.58 3ic0 h LEU 105 Ca 0.07 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 3ic0 h LEU 105 Cb 0.43 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ic0 h LEU 105 CO 0.02 1.07 0.19 -0.07 -0.34 0.00 0.00 178.44 179.32 3ic0 h LEU 106 N 0.55 0.92 -0.73 2.25 3.38 -0.71 0.19 115.31 121.17 3ic0 h LEU 106 Ca 0.07 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ic0 h LEU 106 Cb 0.81 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3ic0 h LEU 106 CO 0.07 0.87 0.30 0.58 0.09 0.00 0.00 178.44 180.35 3ic0 h VAL 107 N 0.95 1.25 -0.23 1.22 2.07 -0.60 -0.05 116.25 120.87 3ic0 h VAL 107 Ca 0.21 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3ic0 h VAL 107 Cb 0.29 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3ic0 h VAL 107 CO -0.01 0.31 0.09 0.74 0.02 0.00 0.00 177.57 178.73 3ic0 h THR 108 N 1.04 1.17 -0.42 2.57 2.02 -0.22 -1.41 112.91 117.65 3ic0 h THR 108 Ca 0.24 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3ic0 h THR 108 Cb 0.20 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3ic0 h THR 108 CO -0.02 0.17 0.27 -0.07 0.37 0.00 0.00 175.52 176.24 3ic0 h LEU 109 N 0.21 0.49 -0.70 2.58 4.07 -0.27 -1.90 115.31 119.79 3ic0 h LEU 109 Ca 0.08 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.09 3ic0 h LEU 109 Cb 0.18 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.73 3ic0 h LEU 109 CO -0.01 0.37 0.37 0.00 -1.08 0.00 0.00 178.44 178.09 3ic0 h ALA 110 N 1.14 0.95 0.00 1.53 0.00 -0.82 0.51 119.26 122.57 3ic0 h ALA 110 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ic0 h ALA 110 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ic0 h ALA 110 CO -0.03 0.02 -0.26 0.00 0.00 0.00 0.00 179.25 178.98 3ic0 h ALA 111 N 1.39 1.50 0.00 0.00 0.00 -0.90 -3.26 119.26 118.00 3ic0 h ALA 111 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ic0 h ALA 111 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ic0 h ALA 111 CO -0.22 0.32 -1.71 0.72 0.00 0.00 0.00 179.25 178.36 3ic0 n HIS 112 N -4.13 0.15 -2.96 0.00 -0.00 -0.43 -4.72 115.22 103.14 3ic0 n HIS 112 Ca -0.02 0.04 -0.27 0.00 -0.00 0.00 0.00 57.72 57.47 3ic0 n HIS 112 Cb 0.32 -0.51 -0.04 0.00 -0.00 0.00 0.00 29.99 29.75 3ic0 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3ic0 n LEU 113 N -2.23 4.42 0.32 2.41 4.77 0.17 -4.86 117.00 122.00 3ic0 n LEU 113 Ca -0.02 -5.67 0.21 0.00 -0.03 0.00 0.00 56.01 50.49 3ic0 n LEU 113 Cb 0.54 -0.54 1.11 0.00 -2.33 0.00 0.00 43.42 42.20 3ic0 n LEU 113 CO 0.45 2.35 1.16 1.55 -1.33 0.00 0.00 177.39 181.56 3ic0 h PRO 114 N 3.01 0.00 0.00 3.23 0.13 -1.83 -1.15 132.00 135.38 3ic0 h PRO 114 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ic0 h PRO 114 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3ic0 h PRO 114 CO 0.82 0.01 -1.10 0.00 -0.23 0.00 0.00 178.00 177.49 3ic0 n ALA 115 N -2.13 4.13 0.00 -0.56 0.00 -1.26 -4.57 120.51 116.11 3ic0 n ALA 115 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3ic0 n ALA 115 Cb 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3ic0 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ic0 n GLU 116 N -1.69 5.50 -1.78 0.00 -0.58 -0.92 -4.86 120.64 116.30 3ic0 n GLU 116 Ca 0.03 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.36 3ic0 n GLU 116 Cb 0.38 -0.40 -0.01 0.00 -0.57 0.00 0.00 31.44 30.85 3ic0 n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3ic0 n PHE 117 N -0.79 2.98 -1.36 -0.32 7.35 -0.48 -4.88 117.46 119.96 3ic0 n PHE 117 Ca 0.00 -2.95 -0.31 0.00 -0.76 0.00 0.00 57.45 53.44 3ic0 n PHE 117 Cb 0.00 -2.32 0.09 0.00 0.35 0.00 0.00 39.48 37.60 3ic0 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ic0 s THR 118 N 1.75 3.32 0.32 -2.13 -4.23 -1.26 -4.79 115.64 108.63 3ic0 s THR 118 Ca 0.52 0.43 0.03 0.00 -1.18 0.00 0.00 61.69 61.49 3ic0 s THR 118 Cb 0.15 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 71.27 3ic0 s THR 118 CO -0.06 -0.56 1.92 -0.65 -0.54 0.00 0.00 174.62 174.72 3ic0 h PRO 119 N -1.11 0.88 -0.32 3.99 0.11 -1.99 0.13 132.00 133.69 3ic0 h PRO 119 Ca -0.45 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 3ic0 h PRO 119 Cb 1.24 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ic0 h PRO 119 CO 0.54 0.58 -0.51 0.00 -0.21 0.00 0.00 178.00 178.41 3ic0 h ALA 120 N 1.55 0.49 -0.23 -0.75 0.00 -1.98 -0.38 119.26 117.96 3ic0 h ALA 120 Ca 0.38 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ic0 h ALA 120 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ic0 h ALA 120 CO -0.14 0.68 0.11 0.28 0.00 0.00 0.00 179.25 180.17 3ic0 h VAL 121 N 0.70 1.14 -0.43 0.00 2.07 -1.79 -0.84 116.25 117.10 3ic0 h VAL 121 Ca 0.03 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3ic0 h VAL 121 Cb 1.12 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3ic0 h VAL 121 CO 0.12 0.14 0.17 -0.74 0.02 0.00 0.00 177.57 177.28 3ic0 h HIS 122 N 0.23 0.31 -0.28 1.57 6.17 -0.66 -0.48 115.15 122.02 3ic0 h HIS 122 Ca 0.08 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 3ic0 h HIS 122 Cb 0.13 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 29.97 3ic0 h HIS 122 CO -0.02 0.14 0.16 0.00 0.71 0.00 0.00 177.93 178.91 3ic0 h ALA 123 N 1.26 0.36 -0.35 5.26 0.00 -0.75 -0.83 119.26 124.21 3ic0 h ALA 123 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ic0 h ALA 123 Cb 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3ic0 h ALA 123 CO -0.18 -0.12 -0.13 0.77 0.00 0.00 0.00 179.25 179.59 3ic0 h SER 124 N 0.34 0.61 0.02 0.00 0.02 -0.85 -2.30 113.55 111.39 3ic0 h SER 124 Ca 0.10 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.69 3ic0 h SER 124 Cb 0.05 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3ic0 h SER 124 CO -0.02 0.77 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.70 3ic0 h LEU 125 N 0.56 0.70 -0.34 5.07 3.38 -0.91 -0.97 115.31 122.81 3ic0 h LEU 125 Ca 0.10 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3ic0 h LEU 125 Cb 0.56 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3ic0 h LEU 125 CO 0.04 1.18 0.11 -0.78 0.09 0.00 0.00 178.44 179.08 3ic0 h ASP 126 N 0.43 0.48 -0.70 -0.43 3.58 -0.97 -0.63 116.42 118.18 3ic0 h ASP 126 Ca -0.02 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 3ic0 h ASP 126 Cb 1.26 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 3ic0 h ASP 126 CO 0.13 0.55 0.17 0.11 -2.88 0.00 0.00 179.24 177.32 3ic0 h LYS 127 N 0.39 1.12 -0.73 0.28 1.57 -1.36 -0.84 116.57 117.02 3ic0 h LYS 127 Ca 0.11 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3ic0 h LYS 127 Cb 0.23 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3ic0 h LYS 127 CO -0.01 0.99 0.47 0.35 -0.57 0.00 0.00 179.45 180.68 3ic0 h PHE 128 N 1.06 0.88 -0.24 -1.35 3.57 -0.87 0.14 116.94 120.13 3ic0 h PHE 128 Ca 0.22 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.59 3ic0 h PHE 128 Cb 0.37 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3ic0 h PHE 128 CO 0.03 0.53 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.10 3ic0 h LEU 129 N 0.93 0.67 -0.92 0.59 3.38 -0.88 -0.70 115.31 118.39 3ic0 h LEU 129 Ca 0.28 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ic0 h LEU 129 Cb -0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3ic0 h LEU 129 CO -0.09 1.04 0.56 0.00 0.09 0.00 0.00 178.44 180.04 3ic0 h ALA 130 N 0.99 1.17 -0.09 1.53 0.00 -0.78 0.56 119.26 122.63 3ic0 h ALA 130 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ic0 h ALA 130 Cb 1.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ic0 h ALA 130 CO 0.09 0.63 0.04 1.03 0.00 0.00 0.00 179.25 181.04 3ic0 h SER 131 N 1.27 0.12 -0.58 0.00 0.87 -0.27 -0.95 113.55 114.01 3ic0 h SER 131 Ca 0.33 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3ic0 h SER 131 Cb -0.06 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3ic0 h SER 131 CO -0.06 0.22 0.29 0.58 -0.53 0.00 0.00 176.83 177.33 3ic0 h VAL 132 N 0.02 1.20 -1.00 2.23 2.07 -0.95 -2.39 116.25 117.44 3ic0 h VAL 132 Ca 0.03 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3ic0 h VAL 132 Cb 0.13 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3ic0 h VAL 132 CO -0.00 0.23 0.65 0.28 0.02 0.00 0.00 177.57 178.75 3ic0 h SER 133 N 0.79 1.10 -0.61 0.57 0.02 -0.71 -1.10 113.55 113.60 3ic0 h SER 133 Ca 0.20 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 3ic0 h SER 133 Cb 0.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3ic0 h SER 133 CO -0.03 0.77 0.28 0.74 -1.14 0.00 0.00 176.83 177.45 3ic0 h THR 134 N 1.28 1.22 -0.41 -2.27 2.02 -0.91 -0.74 112.91 113.10 3ic0 h THR 134 Ca 0.39 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3ic0 h THR 134 Cb -0.04 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3ic0 h THR 134 CO -0.11 0.26 0.06 0.58 0.37 0.00 0.00 175.52 176.68 3ic0 h VAL 135 N 0.84 1.24 0.00 3.16 2.07 -0.90 -2.36 116.25 120.30 3ic0 h VAL 135 Ca 0.21 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3ic0 h VAL 135 Cb 0.15 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ic0 h VAL 135 CO -0.02 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.80 3ic0 h LEU 136 N 0.53 0.00 -2.12 2.57 3.38 -1.07 -2.70 115.31 115.90 3ic0 h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ic0 h LEU 136 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ic0 h LEU 136 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 3ic0 n THR 137 N -2.56 0.36 -4.35 0.22 -2.24 -0.30 -2.86 114.28 102.55 3ic0 n THR 137 Ca 0.02 -0.68 -0.35 0.00 -2.27 0.00 0.00 64.05 60.77 3ic0 n THR 137 Cb 0.29 1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 3ic0 n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ic0 s SER 138 N -1.38 5.29 -0.44 3.42 0.01 -0.90 -4.88 113.70 114.82 3ic0 s SER 138 Ca 0.29 0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.55 3ic0 s SER 138 Cb 0.18 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.95 3ic0 s SER 138 CO 0.25 0.38 0.37 -0.54 0.41 0.00 0.00 173.24 174.11 3ic0 s LYS 139 N -0.90 3.00 -0.09 12.44 1.02 -1.26 -4.83 119.74 129.11 3ic0 s LYS 139 Ca 0.13 -1.08 0.14 0.00 0.02 0.00 0.00 55.97 55.18 3ic0 s LYS 139 Cb -0.11 -4.03 0.21 0.00 -0.52 0.00 0.00 37.83 33.37 3ic0 s LYS 139 CO 0.02 -0.88 1.10 2.48 -0.92 0.00 0.00 175.35 177.16 3ic0 n TYR 140 N 5.30 0.00 1.54 3.18 4.11 -1.26 -5.16 117.16 124.87 3ic0 n TYR 140 Ca -0.11 -0.74 0.12 0.00 -0.00 0.00 0.00 57.90 57.18 3ic0 n TYR 140 Cb 0.46 -0.12 0.73 0.00 -0.00 0.00 0.00 39.34 40.41 3ic0 n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40