#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pro h PRO 6 N 0.00 0.60 0.00 -0.67 0.13 -2.06 0.14 132.00 130.14 4pro h PRO 6 Ca 0.00 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 4pro h PRO 6 Cb 0.00 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 4pro h PRO 6 CO 0.00 0.44 -0.21 1.96 -0.23 0.00 0.00 178.00 179.96 4pro h GLN 7 N 0.59 0.00 -0.19 0.86 1.08 -2.05 -1.92 115.11 113.48 4pro h GLN 7 Ca 0.16 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.17 4pro h GLN 7 Cb -0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.43 4pro h GLN 7 CO -0.03 0.21 -0.62 1.25 -0.95 0.00 0.00 178.83 178.68 4pro h LEU 8 N 0.00 0.87 -0.19 1.46 5.85 -1.85 -1.06 115.31 120.39 4pro h LEU 8 Ca -0.00 -0.60 0.04 0.00 0.84 0.00 0.00 57.88 58.16 4pro h LEU 8 Cb 0.60 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 4pro h LEU 8 CO 0.03 1.32 -0.06 0.11 -0.34 0.00 0.00 178.44 179.50 4pro h LYS 9 N 0.47 -0.02 -0.58 1.25 1.57 -0.23 -0.18 116.57 118.85 4pro h LYS 9 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 4pro h LYS 9 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 4pro h LYS 9 CO 0.13 -0.01 0.12 0.74 -0.57 0.00 0.00 179.45 179.86 4pro h PHE 10 N -0.02 1.00 0.36 -1.35 0.04 -1.39 -2.16 116.94 113.41 4pro h PHE 10 Ca 0.09 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 4pro h PHE 10 Cb 0.16 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 4pro h PHE 10 CO -0.22 0.86 -0.32 0.00 -0.60 0.00 0.00 178.31 178.03 4pro h ALA 11 N 1.02 -0.71 -0.41 2.45 0.00 -0.63 -0.86 119.26 120.12 4pro h ALA 11 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.98 4pro h ALA 11 Cb 0.38 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 4pro h ALA 11 CO 0.01 -0.93 0.27 0.52 0.00 0.00 0.00 179.25 179.12 4pro h MET 12 N -0.69 0.53 0.35 0.00 2.86 -1.02 0.74 114.93 117.71 4pro h MET 12 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 4pro h MET 12 Cb 0.62 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 4pro h MET 12 CO -0.04 0.35 -0.20 0.37 1.06 0.00 0.00 176.91 178.45 4pro h GLN 13 N 0.55 -0.51 -0.39 1.72 -0.00 -0.72 0.26 115.11 116.02 4pro h GLN 13 Ca 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 4pro h GLN 13 Cb -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 4pro h GLN 13 CO -0.04 -0.34 0.18 -0.09 0.00 0.00 0.00 178.83 178.54 4pro h ARG 14 N -0.53 0.57 0.01 1.69 2.43 -1.01 -2.54 114.38 115.00 4pro h ARG 14 Ca -0.04 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 4pro h ARG 14 Cb 0.43 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 4pro h ARG 14 CO 0.05 0.51 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.53 4pro h ASP 15 N 0.49 0.03 -0.08 -3.80 3.32 0.61 -3.41 116.42 113.59 4pro h ASP 15 Ca 0.13 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.27 4pro h ASP 15 Cb 0.13 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.67 4pro h ASP 15 CO -0.02 0.94 0.00 0.18 -1.72 0.00 0.00 179.24 178.62 4pro n LEU 16 N -4.62 2.16 -0.46 1.55 7.99 0.91 -4.96 117.00 119.57 4pro n LEU 16 Ca -0.10 -1.19 -0.05 0.00 -0.01 0.00 0.00 56.01 54.66 4pro n LEU 16 Cb 0.46 -0.05 -0.01 0.00 -0.11 0.00 0.00 43.42 43.71 4pro n LEU 16 CO 0.35 0.44 -0.05 0.61 -1.51 0.00 0.00 177.39 177.23 4pro n GLY 17 N 0.63 0.52 3.30 -0.72 0.00 -0.96 -4.98 105.19 102.99 4pro n GLY 17 Ca 0.08 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 4pro n GLY 17 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4pro s ILE 18 N -2.21 4.66 0.63 -0.61 1.01 -1.14 -4.98 121.20 118.55 4pro s ILE 18 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 60.65 59.17 4pro s ILE 18 Cb 0.00 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 4pro s ILE 18 CO 0.00 -0.61 1.04 -0.36 0.00 0.00 0.00 174.94 175.01 4pro s PHE 19 N 1.50 3.35 0.29 3.97 0.40 -1.26 -1.96 117.98 124.27 4pro s PHE 19 Ca 0.04 1.39 0.04 0.00 -0.60 0.00 0.00 56.93 57.80 4pro s PHE 19 Cb -0.25 -2.82 0.75 0.00 0.51 0.00 0.00 43.02 41.21 4pro s PHE 19 CO 0.03 -0.88 1.69 -1.35 0.70 0.00 0.00 175.22 175.41 4pro h PRO 20 N -0.19 0.38 0.00 0.24 0.11 -1.98 0.56 132.00 131.11 4pro h PRO 20 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 4pro h PRO 20 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 4pro h PRO 20 CO 0.60 0.25 0.00 0.25 -0.21 0.00 0.00 178.00 178.89 4pro n THR 21 N -5.05 0.84 -0.05 -1.15 -2.24 -1.26 -2.85 114.28 102.51 4pro n THR 21 Ca 0.23 0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 62.24 4pro n THR 21 Cb 0.68 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 4pro n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4pro n GLN 22 N -2.23 0.95 -0.06 -0.78 6.02 0.17 -4.72 117.38 116.73 4pro n GLN 22 Ca 0.02 -0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 4pro n GLN 22 Cb 0.22 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 4pro n GLN 22 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 4pro h LEU 23 N 0.00 -0.99 -0.90 1.08 5.85 -0.58 -1.92 115.31 117.85 4pro h LEU 23 Ca -0.28 0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.71 4pro h LEU 23 Cb 1.56 0.45 -0.08 0.00 0.37 0.00 0.00 40.66 42.96 4pro h LEU 23 CO 0.02 -0.33 0.54 -0.65 -0.34 0.00 0.00 178.44 177.67 4pro h PRO 24 N -0.31 0.85 -0.19 5.25 0.11 -1.85 -0.27 132.00 135.59 4pro h PRO 24 Ca 0.13 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 4pro h PRO 24 Cb 0.53 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 4pro h PRO 24 CO -0.44 0.56 -0.31 0.37 -0.21 0.00 0.00 178.00 177.98 4pro h GLN 25 N 0.88 0.39 -0.07 1.05 -0.00 -1.78 -2.04 115.11 113.53 4pro h GLN 25 Ca 0.44 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.92 4pro h GLN 25 Cb 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 4pro h GLN 25 CO -0.26 0.66 0.00 -0.92 0.00 0.00 0.00 178.83 178.31 4pro h TYR 26 N 0.34 0.13 -0.92 3.99 3.20 -0.36 -2.06 116.97 121.29 4pro h TYR 26 Ca 0.04 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 4pro h TYR 26 Cb 0.71 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 4pro h TYR 26 CO 0.02 0.39 0.57 -0.07 -1.64 0.00 0.00 178.16 177.42 4pro h LEU 27 N -0.16 0.85 -0.39 2.82 4.07 -0.95 -0.26 115.31 121.28 4pro h LEU 27 Ca 0.02 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 4pro h LEU 27 Cb 0.33 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 4pro h LEU 27 CO 0.00 0.50 0.15 -0.61 -1.08 0.00 0.00 178.44 177.40 4pro h GLN 28 N 0.97 0.59 -0.50 1.13 4.15 -1.25 -1.49 115.11 118.70 4pro h GLN 28 Ca 0.43 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.68 4pro h GLN 28 Cb 0.32 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 4pro h GLN 28 CO -0.22 0.57 0.11 1.15 -1.93 0.00 0.00 178.83 178.51 4pro h THR 29 N 0.49 1.24 -0.39 2.39 2.02 -0.69 -0.39 112.91 117.58 4pro h THR 29 Ca 0.13 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.47 4pro h THR 29 Cb 0.21 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 4pro h THR 29 CO -0.01 0.31 0.20 -0.08 0.37 0.00 0.00 175.52 176.32 4pro h GLU 30 N 0.69 0.40 -0.29 6.66 4.22 -0.90 0.18 114.58 125.55 4pro h GLU 30 Ca 0.16 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 4pro h GLU 30 Cb 0.35 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 4pro h GLU 30 CO 0.00 0.27 0.05 -0.22 -2.18 0.00 0.00 179.01 176.93 4pro h LYS 31 N 0.41 0.48 -0.54 1.92 3.64 -1.13 -3.00 116.57 118.35 4pro h LYS 31 Ca 0.16 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 4pro h LYS 31 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 4pro h LYS 31 CO -0.11 0.58 0.17 -0.07 -2.27 0.00 0.00 179.45 177.75 4pro h LEU 32 N 0.30 0.74 -1.70 5.20 3.38 -0.69 -1.91 115.31 120.63 4pro h LEU 32 Ca 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 4pro h LEU 32 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 4pro h LEU 32 CO 0.01 0.70 0.13 0.00 0.09 0.00 0.00 178.44 179.36 4pro h ALA 33 N 1.40 1.77 0.02 1.53 0.00 -0.51 -2.19 119.26 121.28 4pro h ALA 33 Ca 0.18 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 4pro h ALA 33 Cb 0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 4pro h ALA 33 CO -0.01 0.20 -2.02 2.89 0.00 0.00 0.00 179.25 180.31 4pro n ARG 34 N -4.47 0.67 0.23 0.00 1.85 -1.04 -3.35 116.66 110.56 4pro n ARG 34 Ca 0.01 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 4pro n ARG 34 Cb 0.10 -1.68 0.35 0.00 -1.05 0.00 0.00 32.46 30.18 4pro n ARG 34 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 4pro h THR 35 N 0.01 0.10 -0.01 8.89 1.35 -1.29 -3.30 112.91 118.66 4pro h THR 35 Ca -0.41 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 4pro h THR 35 Cb 2.08 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 4pro h THR 35 CO 0.05 0.05 -0.05 0.00 -0.25 0.00 0.00 175.52 175.32 4pro n GLN 36 N -3.13 0.82 -0.16 4.72 6.02 -0.83 -4.69 117.38 120.14 4pro n GLN 36 Ca 0.02 -0.72 -0.02 0.00 -0.01 0.00 0.00 57.00 56.27 4pro n GLN 36 Cb 0.46 -1.06 0.05 0.00 1.02 0.00 0.00 30.24 30.72 4pro n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 4pro h ALA 37 N 1.16 0.44 -0.61 -1.58 0.00 -1.63 0.64 119.26 117.68 4pro h ALA 37 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 4pro h ALA 37 Cb 0.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 4pro h ALA 37 CO 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 179.25 178.96 4pro h ALA 38 N 1.45 0.81 -0.79 0.00 0.00 -1.83 -1.68 119.26 117.21 4pro h ALA 38 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 4pro h ALA 38 Cb 0.37 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 4pro h ALA 38 CO -0.43 0.56 0.49 0.00 0.00 0.00 0.00 179.25 179.88 4pro h ALA 39 N 1.02 1.00 -0.37 0.00 0.00 -1.60 -0.21 119.26 119.10 4pro h ALA 39 Ca 0.19 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 4pro h ALA 39 Cb 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 4pro h ALA 39 CO 0.01 0.45 -0.16 0.82 0.00 0.00 0.00 179.25 180.37 4pro h ILE 40 N 1.08 1.26 -0.11 0.00 2.04 -0.65 -1.52 117.51 119.60 4pro h ILE 40 Ca 0.29 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 4pro h ILE 40 Cb -0.07 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 4pro h ILE 40 CO -0.06 0.40 -0.01 -0.08 0.00 0.00 0.00 178.15 178.40 4pro h GLU 41 N 0.61 0.20 -0.49 2.37 4.81 -0.76 -2.62 114.58 118.70 4pro h GLU 41 Ca 0.10 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 4pro h GLU 41 Cb 0.62 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 4pro h GLU 41 CO 0.04 0.48 0.17 -0.09 -0.73 0.00 0.00 179.01 178.88 4pro h ARG 42 N -0.09 0.33 -0.45 1.92 2.43 -0.84 -2.06 114.38 115.62 4pro h ARG 42 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 4pro h ARG 42 Cb 0.39 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 4pro h ARG 42 CO 0.01 0.22 0.30 1.49 -1.51 0.00 0.00 179.97 180.48 4pro h GLU 43 N 0.34 0.60 -0.00 0.20 4.81 -1.21 -2.66 114.58 116.65 4pro h GLU 43 Ca 0.23 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 4pro h GLU 43 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.49 4pro h GLU 43 CO -0.24 0.39 -0.01 1.19 -0.73 0.00 0.00 179.01 179.61 4pro n PHE 44 N -4.77 0.00 -1.84 0.92 3.01 -1.00 -4.99 117.46 108.79 4pro n PHE 44 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 4pro n PHE 44 Cb 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 4pro n PHE 44 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4pro n GLY 45 N 1.20 1.56 0.25 1.37 0.00 -0.80 -2.16 105.19 106.61 4pro n GLY 45 Ca 0.17 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.95 4pro n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro h ALA 46 N -0.37 1.03 -0.19 4.61 0.00 -1.91 -0.55 119.26 121.88 4pro h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 4pro h ALA 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 4pro h ALA 46 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 4pro n GLN 47 N -2.64 2.00 -1.73 0.00 10.64 -0.92 -4.76 117.38 119.98 4pro n GLN 47 Ca -0.02 -1.50 -0.42 0.00 -1.83 0.00 0.00 57.00 53.23 4pro n GLN 47 Cb 0.08 -1.44 -0.02 0.00 -0.86 0.00 0.00 30.24 28.00 4pro n GLN 47 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 4pro n PHE 48 N 0.74 2.75 -1.38 2.61 7.35 -0.22 -1.07 117.46 128.24 4pro n PHE 48 Ca 0.17 0.17 0.08 0.00 -0.76 0.00 0.00 57.45 57.11 4pro n PHE 48 Cb 0.44 -2.62 0.14 0.00 0.35 0.00 0.00 39.48 37.78 4pro n PHE 48 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 4pro n ALA 49 N 2.95 2.60 0.00 3.13 0.00 0.11 -1.87 120.51 127.44 4pro n ALA 49 Ca 0.12 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.95 4pro n ALA 49 Cb 0.35 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.40 4pro n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4pro n GLY 50 N -1.10 2.12 3.06 0.00 0.00 -1.25 -4.54 105.19 103.48 4pro n GLY 50 Ca 0.15 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 4pro n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4pro s SER 51 N 0.00 -0.02 0.27 1.61 1.04 -1.26 -0.68 113.70 114.66 4pro s SER 51 Ca 0.00 -0.05 -0.20 0.00 0.48 0.00 0.00 55.95 56.18 4pro s SER 51 Cb 0.00 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.37 4pro s SER 51 CO 0.00 -0.24 0.69 -1.66 0.98 0.00 0.00 173.24 173.01 4pro s TRP 52 N -0.85 -0.14 -0.01 5.02 -2.14 -0.45 -5.00 118.94 115.37 4pro s TRP 52 Ca -0.09 -0.30 -0.14 0.00 2.66 0.00 0.00 56.10 58.23 4pro s TRP 52 Cb -0.05 0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 30.91 4pro s TRP 52 CO 0.01 -1.20 0.38 0.42 -2.66 0.00 0.00 176.95 173.90 4pro s ILE 53 N -3.93 5.08 0.05 0.66 1.01 -1.26 -0.98 121.20 121.84 4pro s ILE 53 Ca 0.12 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.59 4pro s ILE 53 Cb -0.05 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 4pro s ILE 53 CO 0.07 0.58 -0.13 -0.70 0.00 0.00 0.00 174.94 174.76 4pro s GLU 54 N -1.06 0.81 -0.30 2.79 2.12 -0.12 -4.95 118.70 117.97 4pro s GLU 54 Ca 0.23 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.67 4pro s GLU 54 Cb -0.16 -0.78 0.03 0.00 0.26 0.00 0.00 34.13 33.47 4pro s GLU 54 CO 0.12 0.18 0.06 0.50 -0.54 0.00 0.00 175.26 175.58 4pro s ARG 55 N -1.46 2.84 1.12 4.30 3.52 -1.26 -0.93 118.95 127.07 4pro s ARG 55 Ca -0.02 -1.02 -0.16 0.00 -0.13 0.00 0.00 55.73 54.41 4pro s ARG 55 Cb -0.09 -3.31 0.18 0.00 -1.56 0.00 0.00 34.95 30.16 4pro s ARG 55 CO 0.02 -0.52 0.48 0.09 -0.81 0.00 0.00 175.30 174.55 4pro n ASN 56 N 4.79 -2.00 0.15 -2.12 5.03 0.60 -4.88 115.26 116.83 4pro n ASN 56 Ca -0.14 -0.08 0.13 0.00 0.87 0.00 0.00 54.58 55.36 4pro n ASN 56 Cb 0.46 -1.12 0.40 0.00 -1.02 0.00 0.00 39.78 38.50 4pro n ASN 56 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 4pro h GLU 57 N -2.27 0.00 -0.06 3.52 4.11 -1.99 -2.72 114.58 115.17 4pro h GLU 57 Ca -0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.87 4pro h GLU 57 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 4pro h GLU 57 CO 0.42 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.10 4pro n ASP 58 N -2.51 0.39 0.00 3.06 5.75 -1.26 -4.89 116.55 117.09 4pro n ASP 58 Ca 0.04 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 4pro n ASP 58 Cb 0.40 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 4pro n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 4pro n GLY 59 N 0.71 1.91 3.92 6.12 0.00 -1.02 -5.04 105.19 111.79 4pro n GLY 59 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 4pro n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4pro s SER 60 N -3.40 5.80 0.15 1.61 1.04 -1.26 -4.84 113.70 112.81 4pro s SER 60 Ca 0.00 0.66 0.08 0.00 0.48 0.00 0.00 55.95 57.17 4pro s SER 60 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 4pro s SER 60 CO 0.00 -0.87 -0.11 -0.36 0.98 0.00 0.00 173.24 172.88 4pro s PHE 61 N -2.83 2.64 0.00 5.02 0.40 -1.26 -0.29 117.98 121.66 4pro s PHE 61 Ca 0.51 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 4pro s PHE 61 Cb -0.10 -1.33 0.01 0.00 0.51 0.00 0.00 43.02 42.11 4pro s PHE 61 CO 0.43 0.47 0.23 -1.59 0.70 0.00 0.00 175.22 175.47 4pro s LYS 62 N -2.58 0.61 -0.20 0.44 0.00 -0.11 -4.94 119.74 112.96 4pro s LYS 62 Ca 0.23 -0.34 -0.18 0.00 0.00 0.00 0.00 55.97 55.68 4pro s LYS 62 Cb -0.10 0.26 -0.03 0.00 0.00 0.00 0.00 37.83 37.96 4pro s LYS 62 CO 0.14 -0.16 0.50 -1.17 0.00 0.00 0.00 175.35 174.66 4pro s LEU 63 N -1.48 4.15 -0.04 2.77 2.96 -1.26 -0.95 118.68 124.83 4pro s LEU 63 Ca -0.13 0.65 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 4pro s LEU 63 Cb -0.05 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 4pro s LEU 63 CO 0.02 -0.17 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.05 4pro s VAL 64 N 1.59 3.04 -0.01 1.68 1.01 -0.15 -1.67 120.40 125.89 4pro s VAL 64 Ca 0.23 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.48 4pro s VAL 64 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 4pro s VAL 64 CO 0.09 0.57 -0.12 0.00 0.00 0.00 0.00 175.10 175.64 4pro s ALA 65 N -0.75 1.04 0.02 5.51 0.00 -0.57 -1.34 121.76 125.65 4pro s ALA 65 Ca 0.12 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.60 4pro s ALA 65 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 4pro s ALA 65 CO 0.01 0.24 -0.07 0.00 0.00 0.00 0.00 175.76 175.94 4pro s ALA 66 N -0.21 3.02 -0.01 0.00 0.00 0.14 -0.35 121.76 124.35 4pro s ALA 66 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.97 4pro s ALA 66 Cb -0.06 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 4pro s ALA 66 CO -0.00 0.62 -0.07 -0.08 0.00 0.00 0.00 175.76 176.23 4pro s THR 67 N -1.02 0.55 -2.24 0.00 -1.32 0.20 0.06 115.64 111.88 4pro s THR 67 Ca 0.18 -0.28 0.27 0.00 -1.21 0.00 0.00 61.69 60.64 4pro s THR 67 Cb -0.11 -0.47 0.38 0.00 -1.51 0.00 0.00 72.50 70.79 4pro s THR 67 CO 0.08 0.16 1.60 -1.54 -2.21 0.00 0.00 174.62 172.72 4pro n SER 68 N 3.00 1.47 -1.47 8.08 3.41 -0.23 0.12 113.62 127.99 4pro n SER 68 Ca -0.14 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 4pro n SER 68 Cb 0.57 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 4pro n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4pro n GLY 69 N 1.26 0.68 0.09 5.00 0.00 -1.26 -4.80 105.19 106.17 4pro n GLY 69 Ca 0.15 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 4pro n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro n ALA 70 N -3.00 1.49 -1.24 4.61 0.00 -1.26 -4.81 120.51 116.30 4pro n ALA 70 Ca 0.00 -1.12 -0.48 0.00 0.00 0.00 0.00 53.44 51.84 4pro n ALA 70 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.95 4pro n ALA 70 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 4pro n ARG 71 N -2.87 0.00 0.00 0.00 1.85 -1.26 -4.86 116.66 109.52 4pro n ARG 71 Ca -0.27 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.63 4pro n ARG 71 Cb 1.12 -1.21 0.01 0.00 -1.05 0.00 0.00 32.46 31.32 4pro n ARG 71 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 4pro n LYS 72 N 1.21 1.75 -3.86 2.89 4.76 -1.26 -4.87 118.16 118.78 4pro n LYS 72 Ca 0.16 -0.71 -0.09 0.00 -2.87 0.00 0.00 58.31 54.80 4pro n LYS 72 Cb 0.08 -1.10 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 4pro n LYS 72 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 4pro s SER 73 N -1.25 -0.12 0.08 4.39 0.15 -1.26 -4.63 113.70 111.06 4pro s SER 73 Ca 0.09 -0.68 0.10 0.00 0.70 0.00 0.00 55.95 56.16 4pro s SER 73 Cb 0.08 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 4pro s SER 73 CO 0.23 -1.01 -0.26 -0.55 1.20 0.00 0.00 173.24 172.84 4pro s SER 74 N -2.93 3.26 0.00 5.45 0.15 -1.26 -5.00 113.70 113.37 4pro s SER 74 Ca 0.14 -0.66 0.17 0.00 0.70 0.00 0.00 55.95 56.30 4pro s SER 74 Cb 0.01 -0.27 0.87 0.00 -1.71 0.00 0.00 66.02 64.91 4pro s SER 74 CO -0.00 0.22 1.52 0.35 1.20 0.00 0.00 173.24 176.53 4pro n THR 75 N 1.36 0.52 -2.34 6.45 -2.24 -1.26 -4.70 114.28 112.08 4pro n THR 75 Ca -0.17 0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 4pro n THR 75 Cb 0.52 -0.84 0.04 0.00 -2.10 0.00 0.00 70.33 67.95 4pro n THR 75 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 4pro s LEU 76 N -2.61 3.16 0.00 3.22 1.43 -1.26 -5.08 118.68 117.54 4pro s LEU 76 Ca 0.16 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 4pro s LEU 76 Cb 0.12 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.83 4pro s LEU 76 CO 0.27 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.31 4pro n GLY 77 N -2.65 -2.38 3.57 -3.19 0.00 -1.26 -4.55 105.19 94.73 4pro n GLY 77 Ca 0.05 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 4pro n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4pro s GLY 78 N 0.00 -0.45 -0.30 -0.02 0.00 -1.26 -4.87 107.32 100.42 4pro s GLY 78 Ca 0.00 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.35 4pro s GLY 78 CO 0.00 3.93 0.02 0.14 0.00 0.00 0.00 173.10 177.19 4pro s VAL 79 N 13.39 1.73 -0.25 1.40 1.01 -1.26 -4.48 120.40 131.95 4pro s VAL 79 Ca 0.80 -1.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 4pro s VAL 79 Cb -0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 4pro s VAL 79 CO 0.09 -0.45 1.79 -0.70 0.00 0.00 0.00 175.10 175.83 4pro s GLU 80 N 1.22 3.55 0.24 2.72 2.12 -0.67 -4.65 118.70 123.22 4pro s GLU 80 Ca 0.05 1.67 -0.17 0.00 0.36 0.00 0.00 54.97 56.88 4pro s GLU 80 Cb -0.19 -4.15 -0.08 0.00 0.26 0.00 0.00 34.13 29.97 4pro s GLU 80 CO -0.12 -1.60 0.70 0.08 -0.54 0.00 0.00 175.26 173.78 4pro s VAL 81 N 6.22 4.65 -0.04 3.70 1.01 -1.26 -1.51 120.40 133.17 4pro s VAL 81 Ca 0.80 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.88 4pro s VAL 81 Cb -0.26 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.38 4pro s VAL 81 CO 0.33 0.09 -0.04 -0.60 0.00 0.00 0.00 175.10 174.88 4pro s ARG 82 N -2.28 0.80 -0.06 2.72 3.52 0.52 -4.92 118.95 119.24 4pro s ARG 82 Ca 0.45 -0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 55.77 4pro s ARG 82 Cb -0.14 -0.81 -0.05 0.00 -1.56 0.00 0.00 34.95 32.39 4pro s ARG 82 CO 0.20 -0.08 0.52 -0.80 -0.81 0.00 0.00 175.30 174.33 4pro s ASN 83 N 0.90 6.82 0.15 -2.12 0.01 -1.26 0.62 114.94 120.06 4pro s ASN 83 Ca -0.11 0.98 0.00 0.00 -0.71 0.00 0.00 52.86 53.02 4pro s ASN 83 Cb -0.14 -2.31 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 4pro s ASN 83 CO 0.00 0.08 0.03 0.68 -1.51 0.00 0.00 177.10 176.38 4pro s VAL 84 N 0.08 0.35 0.00 1.60 -7.23 0.12 -4.89 120.40 110.43 4pro s VAL 84 Ca 0.28 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 4pro s VAL 84 Cb -0.17 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.71 4pro s VAL 84 CO 0.14 -0.49 0.79 -1.14 -0.31 0.00 0.00 175.10 174.09 4pro n ARG 85 N -0.15 0.00 -2.71 4.82 0.00 -1.26 -3.97 116.66 113.39 4pro n ARG 85 Ca -0.06 0.30 -0.28 0.00 -0.00 0.00 0.00 57.85 57.80 4pro n ARG 85 Cb 0.63 -1.29 -0.01 0.00 0.00 0.00 0.00 32.46 31.79 4pro n ARG 85 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 4pro s TYR 86 N -2.18 3.53 0.35 -0.14 2.02 -1.26 -4.79 117.35 114.88 4pro s TYR 86 Ca 0.00 0.89 0.07 0.00 -0.37 0.00 0.00 57.07 57.66 4pro s TYR 86 Cb 0.00 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.20 4pro s TYR 86 CO 0.00 -0.22 0.44 -1.54 -1.57 0.00 0.00 175.55 172.66 4pro s SER 87 N -3.78 5.74 0.12 2.29 1.04 -1.26 -4.62 113.70 113.23 4pro s SER 87 Ca 0.49 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.41 4pro s SER 87 Cb -0.10 -1.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.89 4pro s SER 87 CO 0.40 -0.46 1.74 0.25 0.98 0.00 0.00 173.24 176.15 4pro h LEU 88 N 0.95 0.02 -1.19 2.42 6.46 -1.66 -0.62 115.31 121.68 4pro h LEU 88 Ca -0.45 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.42 4pro h LEU 88 Cb 1.26 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 4pro h LEU 88 CO 0.53 0.04 0.57 0.11 -0.62 0.00 0.00 178.44 179.07 4pro h LYS 89 N 0.11 0.91 0.13 1.25 1.79 -1.86 0.69 116.57 119.60 4pro h LYS 89 Ca 0.08 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 4pro h LYS 89 Cb 0.07 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 4pro h LYS 89 CO -0.11 0.61 -0.06 1.96 -1.08 0.00 0.00 179.45 180.76 4pro h GLN 90 N 0.94 -0.17 -0.06 3.15 4.20 -1.68 -0.92 115.11 120.57 4pro h GLN 90 Ca 0.39 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.99 4pro h GLN 90 Cb 0.28 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 4pro h GLN 90 CO -0.15 -0.05 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.40 4pro h LEU 91 N -0.26 0.16 -0.59 1.46 3.38 -0.45 -2.81 115.31 116.20 4pro h LEU 91 Ca -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 4pro h LEU 91 Cb 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 4pro h LEU 91 CO 0.03 0.63 0.20 -0.61 0.09 0.00 0.00 178.44 178.78 4pro h GLN 92 N 0.12 0.91 -0.73 1.13 5.75 0.57 -1.19 115.11 121.67 4pro h GLN 92 Ca 0.00 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.25 4pro h GLN 92 Cb 0.91 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 4pro h GLN 92 CO 0.07 0.80 0.22 0.66 -2.65 0.00 0.00 178.83 177.93 4pro h SER 93 N 0.83 1.08 -0.49 -0.69 4.64 -0.99 -1.57 113.55 116.36 4pro h SER 93 Ca 0.19 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 4pro h SER 93 Cb 0.26 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 4pro h SER 93 CO -0.01 1.01 0.08 0.00 -0.87 0.00 0.00 176.83 177.04 4pro h ALA 94 N 1.11 1.11 -0.65 5.18 0.00 -1.24 -2.44 119.26 122.34 4pro h ALA 94 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 4pro h ALA 94 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 4pro h ALA 94 CO -0.00 0.58 0.15 1.98 0.00 0.00 0.00 179.25 181.95 4pro h MET 95 N 0.83 1.02 -0.22 0.00 -1.53 -0.74 -2.44 114.93 111.85 4pro h MET 95 Ca 0.17 -0.24 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 4pro h MET 95 Cb 0.38 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 4pro h MET 95 CO 0.01 0.91 -0.19 0.93 0.14 0.00 0.00 176.91 178.71 4pro h GLU 96 N 0.97 0.39 0.00 0.39 5.08 -0.93 -0.90 114.58 119.58 4pro h GLU 96 Ca 0.20 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 4pro h GLU 96 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 4pro h GLU 96 CO 0.00 0.57 -0.30 1.96 -1.00 0.00 0.00 179.01 180.25 4pro h GLN 97 N 0.35 0.00 0.04 2.33 4.20 -0.99 0.12 115.11 121.18 4pro h GLN 97 Ca 0.06 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.53 4pro h GLN 97 Cb 0.54 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 4pro h GLN 97 CO 0.04 0.30 -1.19 -0.07 -0.67 0.00 0.00 178.83 177.24 4pro h LEU 98 N 0.00 0.15 -0.29 1.46 3.38 -0.99 -1.53 115.31 117.48 4pro h LEU 98 Ca -0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 4pro h LEU 98 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 4pro h LEU 98 CO 0.04 1.14 -0.24 0.44 0.09 0.00 0.00 178.44 179.91 4pro h ASP 99 N 0.03 0.72 0.27 -0.43 3.32 -0.64 -2.38 116.42 117.30 4pro h ASP 99 Ca -0.09 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 4pro h ASP 99 Cb 1.87 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 41.22 4pro h ASP 99 CO 0.15 1.02 -0.13 0.00 -1.72 0.00 0.00 179.24 178.56 4pro h ALA 100 N 0.72 -0.36 0.00 3.45 0.00 -0.82 -1.05 119.26 121.20 4pro h ALA 100 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 4pro h ALA 100 Cb 0.80 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 4pro h ALA 100 CO 0.06 -0.59 0.23 0.78 0.00 0.00 0.00 179.25 179.73 4pro h GLY 101 N -0.57 0.00 0.25 0.00 0.00 -1.27 -0.71 103.07 100.76 4pro h GLY 101 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.06 4pro h GLY 101 CO 0.06 0.00 -1.25 0.00 0.00 0.00 0.00 176.54 175.35 4pro h ALA 102 N 1.49 0.23 0.00 3.60 0.00 -0.92 -3.21 119.26 120.46 4pro h ALA 102 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 4pro h ALA 102 Cb 0.46 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.82 4pro h ALA 102 CO 0.00 0.73 0.00 0.09 0.00 0.00 0.00 179.25 180.07 4pro n ASN 103 N -4.18 0.00 0.00 0.00 3.02 -0.31 -3.81 115.26 109.97 4pro n ASN 103 Ca -0.27 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 4pro n ASN 103 Cb 0.77 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 4pro n ASN 103 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4pro n ALA 104 N -0.69 0.61 -1.00 5.41 0.00 -0.95 -5.06 120.51 118.83 4pro n ALA 104 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 4pro n ALA 104 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 4pro n ALA 104 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 4pro n ARG 105 N -0.26 1.03 0.00 0.00 -4.01 -1.21 -5.12 116.66 107.08 4pro n ARG 105 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 4pro n ARG 105 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 4pro n ARG 105 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 4pro n LEU 113 N 0.00 0.00 -4.77 2.89 0.00 -1.26 -4.90 117.00 108.95 4pro n LEU 113 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 4pro n LEU 113 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.48 4pro n LEU 113 CO 0.00 0.00 0.73 1.51 0.00 0.00 0.00 177.39 179.63 4pro s ASP 114 N 0.00 5.02 0.00 1.96 -4.77 -1.26 -3.50 116.67 114.12 4pro s ASP 114 Ca 0.00 1.92 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 4pro s ASP 114 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 4pro s ASP 114 CO 0.00 -1.69 0.00 0.61 0.70 0.00 0.00 175.17 174.79 4pro n GLY 115 N -0.79 3.03 3.64 2.12 0.00 -1.26 -4.94 105.19 106.98 4pro n GLY 115 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 4pro n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4pro s VAL 116 N -2.58 5.07 -0.13 1.61 1.01 -1.23 -1.15 120.40 123.01 4pro s VAL 116 Ca 0.00 0.95 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 4pro s VAL 116 Cb 0.00 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 4pro s VAL 116 CO 0.00 0.12 0.27 1.56 0.00 0.00 0.00 175.10 177.04 4pro h GLN 117 N 7.75 0.00 -2.31 2.72 4.20 -0.38 -3.48 115.11 123.61 4pro h GLN 117 Ca -0.31 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.63 4pro h GLN 117 Cb 1.14 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.87 4pro h GLN 117 CO 0.73 0.44 0.67 -1.54 -0.67 0.00 0.00 178.83 178.46 4pro s SER 118 N -5.92 -0.02 0.01 1.46 1.04 -1.08 -4.98 113.70 104.21 4pro s SER 118 Ca -0.11 -0.48 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 4pro s SER 118 Cb -0.00 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.54 4pro s SER 118 CO 0.32 -0.75 0.46 -1.66 0.98 0.00 0.00 173.24 172.58 4pro s TRP 119 N -2.27 -0.35 -0.03 5.02 -2.14 -1.26 0.13 118.94 118.05 4pro s TRP 119 Ca 0.22 0.47 -0.29 0.00 2.66 0.00 0.00 56.10 59.16 4pro s TRP 119 Cb -0.01 0.25 0.11 0.00 -3.10 0.00 0.00 33.47 30.71 4pro s TRP 119 CO 0.03 -0.54 0.92 1.52 -2.66 0.00 0.00 176.95 176.22 4pro s TYR 120 N -1.86 -0.32 0.01 1.66 1.13 -0.59 -4.98 117.35 112.40 4pro s TYR 120 Ca -0.09 0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 55.47 4pro s TYR 120 Cb -0.02 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 4pro s TYR 120 CO 0.02 -0.51 1.13 0.08 -2.51 0.00 0.00 175.55 173.77 4pro s VAL 121 N -3.04 4.35 -0.56 -3.49 1.01 -1.26 -0.33 120.40 117.08 4pro s VAL 121 Ca 0.05 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.76 4pro s VAL 121 Cb -0.01 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.43 4pro s VAL 121 CO -0.09 0.09 0.33 -0.62 0.00 0.00 0.00 175.10 174.82 4pro s ASP 122 N 1.15 4.29 0.28 3.32 2.15 0.18 -4.91 116.67 123.13 4pro s ASP 122 Ca 0.56 -3.22 0.02 0.00 0.43 0.00 0.00 52.55 50.34 4pro s ASP 122 Cb -0.25 -1.52 0.64 0.00 -0.30 0.00 0.00 42.92 41.49 4pro s ASP 122 CO 0.26 -0.19 1.74 -0.65 -0.17 0.00 0.00 175.17 176.17 4pro h PRO 123 N 6.17 0.56 -1.00 4.34 0.11 -1.86 -0.66 132.00 139.65 4pro h PRO 123 Ca 0.01 -0.03 0.29 0.00 0.11 0.00 0.00 66.00 66.38 4pro h PRO 123 Cb 0.85 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 4pro h PRO 123 CO 0.66 0.37 0.74 -0.09 -0.21 0.00 0.00 178.00 179.47 4pro h ARG 124 N 0.57 0.00 -0.06 1.05 9.65 -1.93 0.20 114.38 123.86 4pro h ARG 124 Ca 0.52 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.40 4pro h ARG 124 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 4pro h ARG 124 CO -0.42 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 181.22 4pro n SER 125 N -4.16 2.24 -3.89 -3.80 3.41 -0.35 -5.01 113.62 102.06 4pro n SER 125 Ca 0.21 -2.17 -0.30 0.00 -0.26 0.00 0.00 58.87 56.35 4pro n SER 125 Cb 1.09 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 4pro n SER 125 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4pro n ASN 126 N -0.46 -2.39 -3.71 4.04 4.05 0.70 -4.95 115.26 112.55 4pro n ASN 126 Ca 0.04 -1.06 -0.02 0.00 0.45 0.00 0.00 54.58 53.99 4pro n ASN 126 Cb 0.34 -2.93 -0.01 0.00 1.23 0.00 0.00 39.78 38.42 4pro n ASN 126 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 4pro s ALA 127 N -3.76 -1.79 -0.21 5.20 0.00 -1.17 -4.79 121.76 115.24 4pro s ALA 127 Ca 0.22 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 4pro s ALA 127 Cb -0.09 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 4pro s ALA 127 CO 0.89 -1.05 0.16 0.08 0.00 0.00 0.00 175.76 175.84 4pro s VAL 128 N -3.03 5.38 -0.17 0.00 1.01 -0.06 -0.65 120.40 122.90 4pro s VAL 128 Ca 0.13 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 4pro s VAL 128 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 4pro s VAL 128 CO 0.01 0.41 0.19 -0.69 0.00 0.00 0.00 175.10 175.01 4pro s VAL 129 N 0.56 5.38 -0.18 2.92 1.01 0.55 0.64 120.40 131.29 4pro s VAL 129 Ca 0.09 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 4pro s VAL 129 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.75 4pro s VAL 129 CO 0.00 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.74 4pro s VAL 130 N 0.12 2.70 -0.17 2.92 1.01 0.54 -1.54 120.40 125.98 4pro s VAL 130 Ca 0.12 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 4pro s VAL 130 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 4pro s VAL 130 CO 0.01 0.50 0.12 -0.54 0.00 0.00 0.00 175.10 175.19 4pro s LYS 131 N 1.11 3.89 0.07 2.72 1.02 0.12 -0.74 119.74 127.93 4pro s LYS 131 Ca 0.00 -0.22 0.04 0.00 0.02 0.00 0.00 55.97 55.81 4pro s LYS 131 Cb -0.14 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 4pro s LYS 131 CO -0.04 0.45 -0.11 0.14 -0.92 0.00 0.00 175.35 174.87 4pro s VAL 132 N -0.09 0.92 0.71 3.17 -7.23 -0.58 0.41 120.40 117.70 4pro s VAL 132 Ca 0.09 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 4pro s VAL 132 Cb -0.11 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.81 4pro s VAL 132 CO 0.00 -0.36 1.22 0.47 -0.31 0.00 0.00 175.10 176.12 4pro n ASP 133 N 1.12 1.51 -4.68 4.85 8.00 -0.30 -0.84 116.55 126.22 4pro n ASP 133 Ca -0.20 0.73 -0.45 0.00 0.71 0.00 0.00 54.79 55.58 4pro n ASP 133 Cb 0.55 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.09 4pro n ASP 133 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 4pro n ASP 134 N -2.31 3.68 0.00 -2.24 9.92 -1.20 -1.28 116.55 123.12 4pro n ASP 134 Ca 0.15 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 4pro n ASP 134 Cb 0.49 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 4pro n ASP 134 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4pro n GLY 135 N 4.10 0.71 0.79 0.44 0.00 -1.26 -4.91 105.19 105.05 4pro n GLY 135 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 4pro n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro n ALA 136 N -0.86 2.85 0.02 4.61 0.00 -0.40 -4.65 120.51 122.08 4pro n ALA 136 Ca 0.00 -2.24 0.22 0.00 0.00 0.00 0.00 53.44 51.41 4pro n ALA 136 Cb 0.00 -0.65 0.73 0.00 0.00 0.00 0.00 19.45 19.52 4pro n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4pro h THR 137 N 1.63 0.53 -0.49 0.00 1.03 -1.91 0.25 112.91 113.95 4pro h THR 137 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.27 4pro h THR 137 Cb 1.34 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.07 4pro h THR 137 CO 0.18 0.00 -0.20 0.44 -0.01 0.00 0.00 175.52 175.94 4pro h ASP 138 N 0.00 1.00 0.22 0.00 5.19 -1.96 -2.80 116.42 118.07 4pro h ASP 138 Ca 0.25 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 4pro h ASP 138 Cb 1.15 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 4pro h ASP 138 CO -0.00 1.16 -0.17 0.00 -3.12 0.00 0.00 179.24 177.11 4pro h ALA 139 N 0.91 1.60 -0.53 3.45 0.00 -1.31 -2.08 119.26 121.30 4pro h ALA 139 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 4pro h ALA 139 Cb 0.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 4pro h ALA 139 CO 0.06 0.21 -0.07 0.78 0.00 0.00 0.00 179.25 180.24 4pro h GLY 140 N 0.61 1.06 0.97 0.00 0.00 -1.38 -0.81 103.07 103.52 4pro h GLY 140 Ca -0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.49 4pro h GLY 140 CO 0.02 0.76 0.13 -2.08 0.00 0.00 0.00 176.54 175.38 4pro h VAL 141 N 0.85 1.09 -0.50 4.60 2.07 -1.29 -1.16 116.25 121.90 4pro h VAL 141 Ca 0.14 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 4pro h VAL 141 Cb 0.62 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 4pro h VAL 141 CO 0.04 0.08 0.23 0.44 0.02 0.00 0.00 177.57 178.38 4pro h ASP 142 N 0.27 0.66 -0.78 0.57 3.32 -1.36 0.30 116.42 119.40 4pro h ASP 142 Ca 0.08 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.02 4pro h ASP 142 Cb 0.02 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 4pro h ASP 142 CO -0.02 0.62 0.50 0.15 -1.72 0.00 0.00 179.24 178.78 4pro h PHE 143 N 0.66 0.95 -0.36 4.55 3.57 -0.92 0.23 116.94 125.62 4pro h PHE 143 Ca 0.17 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 4pro h PHE 143 Cb 0.14 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 4pro h PHE 143 CO -0.00 0.56 -0.26 0.28 -2.23 0.00 0.00 178.31 176.66 4pro h VAL 144 N 1.00 1.28 0.36 1.41 2.07 -0.83 -0.17 116.25 121.37 4pro h VAL 144 Ca 0.31 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 4pro h VAL 144 Cb -0.02 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 4pro h VAL 144 CO -0.10 0.47 -0.34 0.00 0.02 0.00 0.00 177.57 177.61 4pro h ALA 145 N 0.77 -0.75 0.15 1.67 0.00 0.37 -1.68 119.26 119.80 4pro h ALA 145 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.87 4pro h ALA 145 Cb 0.82 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 4pro h ALA 145 CO 0.07 -0.95 -0.22 1.37 0.00 0.00 0.00 179.25 179.52 4pro h LEU 146 N -0.72 -0.60 -1.90 0.00 -0.00 -0.56 -2.15 115.31 109.37 4pro h LEU 146 Ca -0.02 0.06 0.31 0.00 -0.00 0.00 0.00 57.88 58.23 4pro h LEU 146 Cb 0.65 0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 41.48 4pro h LEU 146 CO -0.05 -0.31 0.76 0.28 -0.00 0.00 0.00 178.44 179.12 4pro h SER 147 N -0.43 0.07 0.00 0.17 0.02 -0.81 -3.45 113.55 109.12 4pro h SER 147 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 4pro h SER 147 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 4pro h SER 147 CO -0.10 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 4pro n GLY 148 N -1.71 0.59 3.82 -3.77 0.00 -0.65 -4.74 105.19 98.74 4pro n GLY 148 Ca 0.23 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 4pro n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pro s ALA 149 N -2.00 3.49 -0.20 4.61 0.00 -1.18 -5.01 121.76 121.48 4pro s ALA 149 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 4pro s ALA 149 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 4pro s ALA 149 CO 0.00 0.38 1.88 0.34 0.00 0.00 0.00 175.76 178.36 4pro s ASP 150 N -1.59 6.03 0.10 0.00 -1.08 -1.26 -4.80 116.67 114.08 4pro s ASP 150 Ca 0.39 1.80 0.06 0.00 -0.52 0.00 0.00 52.55 54.29 4pro s ASP 150 Cb -0.17 -2.52 0.34 0.00 -1.46 0.00 0.00 42.92 39.11 4pro s ASP 150 CO 0.20 -1.51 1.16 -1.54 0.52 0.00 0.00 175.17 174.00 4pro n SER 151 N 9.57 0.16 0.20 -0.34 3.41 -1.26 -1.24 113.62 124.12 4pro n SER 151 Ca 0.23 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.46 4pro n SER 151 Cb 0.45 -0.56 0.31 0.00 -0.26 0.00 0.00 64.21 64.15 4pro n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4pro h ALA 152 N 1.84 0.92 -0.21 7.33 0.00 -2.03 -3.17 119.26 123.94 4pro h ALA 152 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 4pro h ALA 152 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 4pro h ALA 152 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 4pro n GLN 153 N -3.33 2.58 -4.78 0.00 10.64 -0.37 -4.98 117.38 117.14 4pro n GLN 153 Ca 0.01 -2.77 -0.25 0.00 -1.83 0.00 0.00 57.00 52.16 4pro n GLN 153 Cb 0.53 -1.76 -0.15 0.00 -0.86 0.00 0.00 30.24 28.00 4pro n GLN 153 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 4pro s VAL 154 N -2.81 1.43 -0.13 -0.39 1.01 -1.20 -0.88 120.40 117.44 4pro s VAL 154 Ca 0.40 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.52 4pro s VAL 154 Cb 0.32 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.52 4pro s VAL 154 CO 0.08 0.33 -0.11 -0.60 0.00 0.00 0.00 175.10 174.80 4pro s ARG 155 N -0.61 1.92 -0.19 2.72 3.52 0.21 -4.87 118.95 121.63 4pro s ARG 155 Ca 0.07 -0.41 -0.18 0.00 -0.13 0.00 0.00 55.73 55.07 4pro s ARG 155 Cb -0.07 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 4pro s ARG 155 CO -0.00 -0.24 0.51 0.42 -0.81 0.00 0.00 175.30 175.18 4pro s ILE 156 N 1.55 5.12 0.03 4.11 -1.09 -1.26 -0.34 121.20 129.31 4pro s ILE 156 Ca 0.04 0.94 0.08 0.00 -2.23 0.00 0.00 60.65 59.47 4pro s ILE 156 Cb -0.13 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 4pro s ILE 156 CO -0.09 0.19 -0.22 -1.61 -1.23 0.00 0.00 174.94 171.98 4pro s GLU 157 N 1.53 1.57 0.30 2.79 8.01 0.08 -4.94 118.70 128.04 4pro s GLU 157 Ca 0.24 -0.94 -0.20 0.00 0.01 0.00 0.00 54.97 54.08 4pro s GLU 157 Cb -0.15 -1.66 -0.09 0.00 -4.31 0.00 0.00 34.13 27.92 4pro s GLU 157 CO 0.10 0.43 0.82 -1.12 0.01 0.00 0.00 175.26 175.50 4pro s SER 158 N -1.02 7.05 -0.06 -0.19 0.01 -1.26 -1.53 113.70 116.70 4pro s SER 158 Ca 0.09 1.54 -0.02 0.00 1.31 0.00 0.00 55.95 58.86 4pro s SER 158 Cb -0.09 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.71 4pro s SER 158 CO 0.01 -0.11 0.13 -0.55 0.41 0.00 0.00 173.24 173.13 4pro s SER 159 N -1.86 0.18 1.00 2.44 0.15 -0.02 -4.84 113.70 110.74 4pro s SER 159 Ca 0.50 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 57.28 4pro s SER 159 Cb -0.15 0.15 0.19 0.00 -1.71 0.00 0.00 66.02 64.50 4pro s SER 159 CO 0.20 -0.17 1.09 -2.84 1.20 0.00 0.00 173.24 172.71 4pro s PRO 160 N 1.46 0.43 1.97 5.44 0.02 -1.26 -3.26 135.00 139.79 4pro s PRO 160 Ca -0.06 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.60 4pro s PRO 160 Cb -0.12 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.67 4pro s PRO 160 CO -0.05 -2.76 0.00 0.41 -0.33 0.00 0.00 177.00 174.26 4pro n GLY 161 N -0.84 -0.88 3.06 0.52 0.00 -1.26 -4.82 105.19 100.97 4pro n GLY 161 Ca 0.05 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 4pro n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4pro s LYS 162 N 0.00 2.13 -0.43 1.61 -0.14 -1.26 -4.79 119.74 116.86 4pro s LYS 162 Ca 0.00 -0.54 -0.28 0.00 -1.36 0.00 0.00 55.97 53.79 4pro s LYS 162 Cb 0.00 -1.78 -0.00 0.00 -1.68 0.00 0.00 37.83 34.37 4pro s LYS 162 CO 0.00 -0.02 1.57 -1.17 -0.76 0.00 0.00 175.35 174.97 4pro s LEU 163 N 0.85 3.50 0.00 3.17 1.98 -1.26 -4.96 118.68 121.96 4pro s LEU 163 Ca -0.10 0.83 -0.08 0.00 -2.89 0.00 0.00 54.13 51.89 4pro s LEU 163 Cb -0.15 -3.36 0.00 0.00 0.66 0.00 0.00 46.19 43.34 4pro s LEU 163 CO 0.01 -1.65 0.14 0.00 -1.89 0.00 0.00 176.35 172.96 4pro s GLN 164 N 5.44 0.50 0.81 1.98 -2.07 -1.26 -5.06 119.66 120.01 4pro s GLN 164 Ca 0.66 -0.41 -0.13 0.00 -1.82 0.00 0.00 55.36 53.66 4pro s GLN 164 Cb -0.16 0.21 0.08 0.00 -1.09 0.00 0.00 33.01 32.05 4pro s GLN 164 CO 0.31 -0.12 1.15 0.25 -1.32 0.00 0.00 175.29 175.56 4pro n THR 165 N 1.40 1.89 -0.51 3.63 -2.24 -1.26 -5.31 114.28 111.87 4pro n THR 165 Ca -0.23 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 4pro n THR 165 Cb 0.56 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 4pro n THR 165 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85