#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1out s LEU 2 N 0.00 4.32 0.64 2.46 1.43 -1.26 -5.03 118.68 121.23 1out s LEU 2 Ca 0.00 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 55.05 1out s LEU 2 Cb 0.00 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.71 1out s LEU 2 CO 0.00 -0.59 0.90 0.42 0.23 0.00 0.00 176.35 177.31 1out s THR 3 N 1.92 2.44 0.31 5.49 -4.23 -1.26 -4.93 115.64 115.39 1out s THR 3 Ca 0.59 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1out s THR 3 Cb -0.28 -2.95 0.11 0.00 1.34 0.00 0.00 72.50 70.72 1out s THR 3 CO 0.25 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 176.13 1out h ALA 4 N -0.28 1.24 -0.37 3.99 0.00 -1.99 -0.71 119.26 121.13 1out h ALA 4 Ca -0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1out h ALA 4 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1out h ALA 4 CO 0.53 0.50 0.17 -0.22 0.00 0.00 0.00 179.25 180.23 1out h LYS 5 N 0.43 0.54 -0.31 0.00 3.64 -1.99 0.77 116.57 119.65 1out h LYS 5 Ca 0.08 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1out h LYS 5 Cb 0.52 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 1out h LYS 5 CO 0.03 0.49 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.23 1out h ASP 6 N 0.46 -0.19 -0.40 4.20 3.32 -1.74 -0.16 116.42 121.90 1out h ASP 6 Ca 0.13 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1out h ASP 6 Cb 0.13 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1out h ASP 6 CO -0.01 -0.06 0.17 0.11 -1.72 0.00 0.00 179.24 177.73 1out h LYS 7 N 0.06 0.66 -0.23 3.56 1.57 -0.53 -0.76 116.57 120.90 1out h LYS 7 Ca 0.15 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 1out h LYS 7 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1out h LYS 7 CO -0.28 0.56 -0.59 0.66 -0.57 0.00 0.00 179.45 179.23 1out h SER 8 N 0.65 0.82 -0.03 0.86 4.64 -0.14 -1.65 113.55 118.70 1out h SER 8 Ca 0.16 -0.46 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1out h SER 8 Cb 0.16 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1out h SER 8 CO -0.01 1.22 0.02 0.58 -0.87 0.00 0.00 176.83 177.77 1out h VAL 9 N 0.55 1.06 -0.58 0.95 2.07 -0.68 0.72 116.25 120.34 1out h VAL 9 Ca 0.00 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.40 1out h VAL 9 Cb 1.17 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1out h VAL 9 CO 0.12 0.05 0.29 0.58 0.02 0.00 0.00 177.57 178.63 1out h VAL 10 N -0.02 0.94 -0.41 2.57 2.07 -1.12 -1.05 116.25 119.23 1out h VAL 10 Ca 0.01 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1out h VAL 10 Cb 0.07 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1out h VAL 10 CO -0.00 0.10 0.07 0.11 0.02 0.00 0.00 177.57 177.87 1out h LYS 11 N 0.55 0.67 -0.67 1.57 1.57 -1.05 0.33 116.57 119.55 1out h LYS 11 Ca 0.26 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1out h LYS 11 Cb 0.18 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1out h LYS 11 CO -0.18 0.71 0.18 0.00 -0.57 0.00 0.00 179.45 179.59 1out h ALA 12 N 0.93 1.06 -0.30 3.86 0.00 -0.45 -2.20 119.26 122.17 1out h ALA 12 Ca 0.12 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1out h ALA 12 Cb 0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1out h ALA 12 CO 0.01 0.63 -0.53 0.35 0.00 0.00 0.00 179.25 179.70 1out h PHE 13 N 0.99 1.09 -0.68 0.00 3.57 -1.08 -3.28 116.94 117.56 1out h PHE 13 Ca 0.21 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 1out h PHE 13 Cb 0.32 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1out h PHE 13 CO 0.02 1.21 0.16 2.35 -2.23 0.00 0.00 178.31 179.82 1out h TRP 14 N 0.67 1.14 -0.97 0.41 2.91 -0.81 -1.40 115.95 117.90 1out h TRP 14 Ca 0.02 -0.14 0.07 0.00 1.13 0.00 0.00 58.89 59.97 1out h TRP 14 Cb 1.14 -0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 29.40 1out h TRP 14 CO 0.07 0.94 0.63 0.78 -1.03 0.00 0.00 178.44 179.83 1out h GLY 15 N 1.02 1.47 2.00 2.65 0.00 -1.45 0.18 103.07 108.93 1out h GLY 15 Ca 0.21 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1out h GLY 15 CO 0.00 0.30 -0.39 0.50 0.00 0.00 0.00 176.54 176.95 1out h LYS 16 N 1.10 0.00 0.00 4.80 1.57 -1.50 -3.28 116.57 119.26 1out h LYS 16 Ca 0.43 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.14 1out h LYS 16 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1out h LYS 16 CO -0.18 0.39 -1.70 -0.89 -0.57 0.00 0.00 179.45 176.51 1out n ILE 17 N -3.88 0.52 -0.37 1.86 -0.00 -0.42 -4.67 119.36 112.42 1out n ILE 17 Ca -0.01 -0.59 0.30 0.00 -0.00 0.00 0.00 62.75 62.45 1out n ILE 17 Cb 0.45 -0.26 0.61 0.00 -0.00 0.00 0.00 39.64 40.44 1out n ILE 17 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1out h SER 18 N 0.00 0.28 0.44 4.38 4.64 -0.78 -1.85 113.55 120.66 1out h SER 18 Ca -0.10 0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1out h SER 18 Cb 1.25 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1out h SER 18 CO 0.01 -0.00 -0.17 1.23 -0.87 0.00 0.00 176.83 177.02 1out h GLY 19 N 0.21 0.00 -2.61 -0.77 0.00 -1.83 -3.12 103.07 94.95 1out h GLY 19 Ca 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 1out h GLY 19 CO -0.25 0.00 0.02 0.28 0.00 0.00 0.00 176.54 176.59 1out n LYS 20 N -3.70 3.80 -0.01 4.80 4.76 -0.69 -4.70 118.16 122.42 1out n LYS 20 Ca -0.02 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.41 1out n LYS 20 Cb 0.29 -2.06 0.31 0.00 -1.84 0.00 0.00 35.03 31.73 1out n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1out h ALA 21 N 2.78 1.40 -0.38 7.82 0.00 -1.62 0.15 119.26 129.41 1out h ALA 21 Ca 0.03 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1out h ALA 21 Cb 1.76 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1out h ALA 21 CO 0.39 0.42 -0.33 -0.44 0.00 0.00 0.00 179.25 179.29 1out h ASP 22 N 0.53 0.94 -0.42 0.00 3.32 -1.86 0.23 116.42 119.17 1out h ASP 22 Ca 0.12 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1out h ASP 22 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1out h ASP 22 CO 0.00 1.20 0.09 0.58 -1.72 0.00 0.00 179.24 179.40 1out h VAL 23 N 0.70 1.23 0.04 -1.35 2.07 -1.77 0.31 116.25 117.49 1out h VAL 23 Ca 0.07 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1out h VAL 23 Cb 0.91 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1out h VAL 23 CO 0.08 0.28 -0.02 0.58 0.02 0.00 0.00 177.57 178.52 1out h VAL 24 N 0.54 1.05 0.15 2.57 2.07 -0.59 -0.75 116.25 121.29 1out h VAL 24 Ca 0.13 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1out h VAL 24 Cb 0.33 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1out h VAL 24 CO 0.00 0.08 -0.29 1.23 0.02 0.00 0.00 177.57 178.61 1out h GLY 25 N -0.19 -0.56 0.10 2.17 0.00 -0.39 0.14 103.07 104.34 1out h GLY 25 Ca -0.01 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.75 1out h GLY 25 CO 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 176.54 176.19 1out h ALA 26 N 0.16 0.27 -0.22 3.60 0.00 -0.85 -1.22 119.26 121.00 1out h ALA 26 Ca 0.02 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1out h ALA 26 Cb 0.53 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1out h ALA 26 CO -0.15 -0.46 -0.37 1.49 0.00 0.00 0.00 179.25 179.76 1out h GLU 27 N -0.02 0.49 -0.40 0.00 4.81 -0.71 -1.86 114.58 116.88 1out h GLU 27 Ca 0.21 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1out h GLU 27 Cb 0.34 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1out h GLU 27 CO -0.46 0.78 -0.35 0.00 -0.73 0.00 0.00 179.01 178.26 1out h ALA 28 N 1.20 0.61 -0.37 2.92 0.00 0.08 -0.56 119.26 123.13 1out h ALA 28 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1out h ALA 28 Cb 0.83 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1out h ALA 28 CO 0.07 0.68 0.20 1.25 0.00 0.00 0.00 179.25 181.45 1out h LEU 29 N 0.78 0.47 -0.44 0.00 6.46 -1.26 0.32 115.31 121.65 1out h LEU 29 Ca 0.07 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1out h LEU 29 Cb 0.94 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1out h LEU 29 CO 0.09 0.43 0.23 1.23 -0.62 0.00 0.00 178.44 179.80 1out h GLY 30 N 0.47 0.60 0.94 3.75 0.00 -1.12 -1.38 103.07 106.34 1out h GLY 30 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1out h GLY 30 CO -0.02 0.12 0.14 3.21 0.00 0.00 0.00 176.54 179.99 1out h ARG 31 N 0.46 0.38 -0.65 4.80 3.08 -0.85 -2.27 114.38 119.32 1out h ARG 31 Ca 0.18 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.24 1out h ARG 31 Cb 0.07 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1out h ARG 31 CO -0.12 0.34 0.36 1.98 -1.07 0.00 0.00 179.97 181.47 1out h MET 32 N 0.31 0.66 -0.39 0.04 4.05 -0.48 0.18 114.93 119.30 1out h MET 32 Ca 0.09 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 1out h MET 32 Cb 0.08 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1out h MET 32 CO -0.01 0.44 -0.25 -0.07 0.23 0.00 0.00 176.91 177.25 1out h LEU 33 N 0.68 0.83 0.11 3.39 3.38 -1.08 -0.45 115.31 122.17 1out h LEU 33 Ca 0.28 -0.31 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1out h LEU 33 Cb 0.15 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.70 1out h LEU 33 CO -0.17 1.04 -1.02 0.74 0.09 0.00 0.00 178.44 179.12 1out h THR 34 N 0.70 1.37 0.00 0.22 2.02 -1.17 -3.24 112.91 112.80 1out h THR 34 Ca 0.09 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1out h THR 34 Cb 0.78 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1out h THR 34 CO 0.06 0.71 -0.93 0.00 0.37 0.00 0.00 175.52 175.74 1out h ALA 35 N 0.24 0.51 -2.21 6.16 0.00 -0.69 -3.39 119.26 119.88 1out h ALA 35 Ca -0.16 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.17 1out h ALA 35 Cb 1.74 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 19.12 1out h ALA 35 CO 0.20 0.00 -0.81 0.66 0.00 0.00 0.00 179.25 179.29 1out n TYR 36 N -2.58 1.77 0.18 0.00 4.02 -0.18 -4.99 117.16 115.39 1out n TYR 36 Ca 0.01 -3.88 0.07 0.00 -0.01 0.00 0.00 57.90 54.09 1out n TYR 36 Cb 0.53 -0.42 0.37 0.00 -0.02 0.00 0.00 39.34 39.79 1out n TYR 36 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1out n PRO 37 N 1.31 0.09 0.29 -0.72 -0.04 -1.22 -1.53 135.00 133.18 1out n PRO 37 Ca 0.26 0.52 0.18 0.00 -0.04 0.00 0.00 63.50 64.42 1out n PRO 37 Cb 0.45 -1.76 0.87 0.00 -0.04 0.00 0.00 33.50 33.02 1out n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1out h GLN 38 N 0.00 0.00 0.00 0.54 3.07 -1.90 -1.09 115.11 115.73 1out h GLN 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1out h GLN 38 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1out h GLN 38 CO 0.00 0.03 -0.26 0.25 0.09 0.00 0.00 178.83 178.94 1out n THR 39 N -3.20 0.38 0.32 1.86 -2.24 -0.59 -3.18 114.28 107.64 1out n THR 39 Ca -0.01 -0.22 0.21 0.00 -2.27 0.00 0.00 64.05 61.77 1out n THR 39 Cb 0.22 -0.34 1.10 0.00 -2.10 0.00 0.00 70.33 69.21 1out n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1out h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.37 -2.42 116.57 113.57 1out h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1out h LYS 40 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1out h LYS 40 CO 0.00 0.00 -0.06 1.79 -0.57 0.00 0.00 179.45 180.61 1out h THR 41 N 0.00 0.97 -0.00 -0.16 1.35 -1.71 -1.20 112.91 112.16 1out h THR 41 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1out h THR 41 Cb 0.11 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1out h THR 41 CO 0.00 0.06 -0.06 -1.22 -0.25 0.00 0.00 175.52 174.05 1out n TYR 42 N -4.37 0.00 -2.05 4.73 4.01 -0.91 -4.00 117.16 114.57 1out n TYR 42 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 1out n TYR 42 Cb 0.14 -0.45 0.02 0.00 -0.31 0.00 0.00 39.34 38.74 1out n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1out n PHE 43 N -1.48 2.80 0.54 -0.72 3.01 -0.45 -4.84 117.46 116.32 1out n PHE 43 Ca 0.07 -2.29 0.12 0.00 1.01 0.00 0.00 57.45 56.36 1out n PHE 43 Cb 0.33 -0.33 0.45 0.00 -0.01 0.00 0.00 39.48 39.92 1out n PHE 43 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1out n SER 44 N -0.69 0.64 0.17 4.37 3.41 -1.23 -2.80 113.62 117.49 1out n SER 44 Ca 0.44 0.61 0.06 0.00 -0.26 0.00 0.00 58.87 59.72 1out n SER 44 Cb 0.94 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1out n SER 44 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1out h HIS 45 N 0.00 0.00 -3.78 7.33 3.86 -1.93 -3.46 115.15 117.17 1out h HIS 45 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 1out h HIS 45 Cb 0.52 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.02 1out h HIS 45 CO 0.00 0.30 0.56 -1.58 0.86 0.00 0.00 177.93 178.07 1out s TRP 46 N -3.08 3.34 0.14 2.45 0.51 -1.12 -4.96 118.94 116.22 1out s TRP 46 Ca 0.05 1.53 -0.16 0.00 -2.12 0.00 0.00 56.10 55.40 1out s TRP 46 Cb 0.07 -3.47 0.00 0.00 -0.81 0.00 0.00 33.47 29.26 1out s TRP 46 CO 0.71 -1.21 1.73 0.00 -0.51 0.00 0.00 176.95 177.67 1out h ALA 47 N 3.87 0.52 -3.41 0.98 0.00 -1.89 -3.42 119.26 115.91 1out h ALA 47 Ca -0.47 -0.10 -0.39 0.00 0.00 0.00 0.00 54.91 53.95 1out h ALA 47 Cb 1.22 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 18.49 1out h ALA 47 CO 0.68 0.07 -0.76 0.34 0.00 0.00 0.00 179.25 179.58 1out s ASP 48 N -5.76 0.93 0.00 0.00 2.15 -1.26 -5.02 116.67 107.72 1out s ASP 48 Ca -0.13 -0.07 0.11 0.00 0.43 0.00 0.00 52.55 52.89 1out s ASP 48 Cb 0.10 -0.34 0.25 0.00 -0.30 0.00 0.00 42.92 42.63 1out s ASP 48 CO 0.74 -0.12 1.15 0.18 -0.17 0.00 0.00 175.17 176.96 1out n LEU 49 N 4.44 2.68 -4.79 -1.34 4.77 -1.26 -4.42 117.00 117.09 1out n LEU 49 Ca -0.20 -1.74 -0.34 0.00 -0.03 0.00 0.00 56.01 53.71 1out n LEU 49 Cb 0.50 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1out n LEU 49 CO 0.19 0.64 0.74 -0.94 -1.33 0.00 0.00 177.39 176.69 1out s SER 50 N -0.99 5.83 0.11 -1.43 1.04 -1.26 -4.78 113.70 112.23 1out s SER 50 Ca 0.21 2.01 -0.31 0.00 0.48 0.00 0.00 55.95 58.34 1out s SER 50 Cb 0.12 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 1out s SER 50 CO 0.16 -1.14 1.85 -2.84 0.98 0.00 0.00 173.24 172.25 1out s PRO 51 N -3.53 4.14 0.00 4.02 0.02 -1.26 -0.54 135.00 137.84 1out s PRO 51 Ca 0.69 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.30 1out s PRO 51 Cb -0.20 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.64 1out s PRO 51 CO 0.29 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1out n GLY 52 N 4.28 0.46 3.78 0.52 0.00 -1.26 -5.06 105.19 107.91 1out n GLY 52 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1out n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1out s SER 53 N -2.31 5.14 0.11 1.61 1.04 0.29 -4.80 113.70 114.78 1out s SER 53 Ca 0.00 1.90 -0.29 0.00 0.48 0.00 0.00 55.95 58.03 1out s SER 53 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 1out s SER 53 CO 0.00 -1.61 1.61 1.23 0.98 0.00 0.00 173.24 175.45 1out h GLY 54 N -0.19 -0.69 -0.30 7.32 0.00 -1.88 0.91 103.07 108.23 1out h GLY 54 Ca -0.46 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.36 1out h GLY 54 CO 0.54 -0.26 -0.47 -2.55 0.00 0.00 0.00 176.54 173.81 1out h PRO 55 N -0.59 -0.35 0.04 4.80 0.11 -1.93 0.62 132.00 134.70 1out h PRO 55 Ca 0.03 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.19 1out h PRO 55 Cb 0.62 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 1out h PRO 55 CO -0.21 -0.24 -0.31 0.28 -0.21 0.00 0.00 178.00 177.31 1out h VAL 56 N -0.37 0.33 -0.72 3.15 2.07 -1.71 0.14 116.25 119.13 1out h VAL 56 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1out h VAL 56 Cb 0.60 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1out h VAL 56 CO -0.56 0.00 0.47 0.50 0.02 0.00 0.00 177.57 177.99 1out h LYS 57 N -0.49 0.90 -0.15 1.57 1.63 -0.36 0.12 116.57 119.80 1out h LYS 57 Ca 0.05 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1out h LYS 57 Cb 0.55 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1out h LYS 57 CO -0.23 0.60 -0.05 -0.22 -3.45 0.00 0.00 179.45 176.10 1out h LYS 58 N 0.93 0.30 -0.47 1.90 3.64 0.79 -2.91 116.57 120.76 1out h LYS 58 Ca 0.28 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1out h LYS 58 Cb -0.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1out h LYS 58 CO -0.09 0.59 0.15 1.25 -2.27 0.00 0.00 179.45 179.08 1out h HIS 59 N -0.01 0.75 -0.81 1.91 2.76 -0.59 -2.69 115.15 116.47 1out h HIS 59 Ca 0.04 -0.08 0.11 0.00 -2.20 0.00 0.00 60.37 58.25 1out h HIS 59 Cb 0.49 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.17 1out h HIS 59 CO 0.06 0.67 0.53 0.78 -1.30 0.00 0.00 177.93 178.66 1out h GLY 60 N 0.62 1.03 1.41 5.26 0.00 -0.74 -0.40 103.07 110.25 1out h GLY 60 Ca 0.15 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1out h GLY 60 CO -0.00 0.14 -0.42 -1.33 0.00 0.00 0.00 176.54 174.93 1out h GLY 61 N 0.68 0.71 0.94 4.60 0.00 -1.30 -1.52 103.07 107.18 1out h GLY 61 Ca 0.39 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1out h GLY 61 CO -0.15 0.65 0.09 -2.22 0.00 0.00 0.00 176.54 174.91 1out h ILE 62 N 0.53 1.01 -0.40 2.60 2.04 -0.92 -0.28 117.51 122.08 1out h ILE 62 Ca 0.04 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1out h ILE 62 Cb 0.94 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1out h ILE 62 CO 0.09 0.03 0.13 0.40 0.00 0.00 0.00 178.15 178.80 1out h ILE 63 N 0.19 1.21 -0.82 -0.67 2.04 -1.01 -2.33 117.51 116.12 1out h ILE 63 Ca 0.07 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1out h ILE 63 Cb 0.00 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1out h ILE 63 CO -0.04 0.25 0.54 0.24 0.00 0.00 0.00 178.15 179.14 1out h MET 64 N 0.51 1.07 0.01 2.37 2.86 -1.05 -1.92 114.93 118.77 1out h MET 64 Ca 0.13 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1out h MET 64 Cb 0.25 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1out h MET 64 CO -0.01 0.70 -0.21 0.78 1.06 0.00 0.00 176.91 179.24 1out h GLY 65 N 1.10 -0.30 0.89 8.32 0.00 -0.85 0.23 103.07 112.46 1out h GLY 65 Ca 0.31 0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1out h GLY 65 CO -0.07 -0.19 0.64 0.00 0.00 0.00 0.00 176.54 176.92 1out h ALA 66 N 0.54 1.29 -0.56 3.60 0.00 -0.93 -0.23 119.26 122.97 1out h ALA 66 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1out h ALA 66 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1out h ALA 66 CO -0.18 0.54 -0.02 0.82 0.00 0.00 0.00 179.25 180.40 1out h ILE 67 N 1.25 1.26 -0.66 0.00 2.04 -0.53 -0.46 117.51 120.41 1out h ILE 67 Ca 0.39 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1out h ILE 67 Cb -0.01 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1out h ILE 67 CO -0.12 0.41 0.28 1.23 0.00 0.00 0.00 178.15 179.95 1out h GLY 68 N 0.99 1.02 1.00 5.37 0.00 0.27 0.01 103.07 111.73 1out h GLY 68 Ca 0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1out h GLY 68 CO 0.03 0.49 0.40 0.50 0.00 0.00 0.00 176.54 177.95 1out h LYS 69 N 0.94 0.93 -0.07 4.80 1.57 -0.58 -2.08 116.57 122.08 1out h LYS 69 Ca 0.22 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1out h LYS 69 Cb 0.15 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1out h LYS 69 CO -0.02 0.68 0.06 0.00 -0.57 0.00 0.00 179.45 179.59 1out h ALA 70 N 1.20 1.91 -0.66 3.86 0.00 0.67 -1.86 119.26 124.38 1out h ALA 70 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1out h ALA 70 Cb -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1out h ALA 70 CO -0.04 -0.09 0.40 0.28 0.00 0.00 0.00 179.25 179.80 1out h VAL 71 N 0.00 1.18 0.00 0.00 2.07 -0.80 -0.55 116.25 118.15 1out h VAL 71 Ca 0.03 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1out h VAL 71 Cb 0.14 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1out h VAL 71 CO -0.00 0.19 -0.28 1.23 0.02 0.00 0.00 177.57 178.73 1out h GLY 72 N 0.93 0.00 -2.93 2.17 0.00 -1.42 -3.23 103.07 98.60 1out h GLY 72 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1out h GLY 72 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.53 1out n LEU 73 N -3.39 4.53 0.31 3.11 4.77 -0.25 -4.70 117.00 121.37 1out n LEU 73 Ca 0.00 -2.29 0.17 0.00 -0.03 0.00 0.00 56.01 53.86 1out n LEU 73 Cb 0.48 -0.58 0.89 0.00 -2.33 0.00 0.00 43.42 41.89 1out n LEU 73 CO 0.35 0.70 1.09 0.24 -1.33 0.00 0.00 177.39 178.45 1out h MET 74 N 3.67 0.00 -0.02 3.23 2.86 -1.47 -0.18 114.93 123.02 1out h MET 74 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1out h MET 74 Cb 1.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 1out h MET 74 CO 0.26 0.00 -0.72 -0.44 1.06 0.00 0.00 176.91 177.07 1out h ASP 75 N 0.00 0.14 -1.70 1.22 3.32 -1.90 -3.39 116.42 114.11 1out h ASP 75 Ca 0.00 -0.10 -0.35 0.00 0.02 0.00 0.00 57.03 56.61 1out h ASP 75 Cb 0.39 -0.04 -0.27 0.00 0.22 0.00 0.00 39.33 39.62 1out h ASP 75 CO 0.00 0.81 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.01 1out s ASP 76 N -6.87 0.18 -0.04 6.45 2.15 -0.10 -4.97 116.67 113.47 1out s ASP 76 Ca -0.02 -2.07 -0.24 0.00 0.43 0.00 0.00 52.55 50.65 1out s ASP 76 Cb 0.12 0.78 -0.23 0.00 -0.30 0.00 0.00 42.92 43.29 1out s ASP 76 CO 0.80 -0.15 1.04 -0.07 -0.17 0.00 0.00 175.17 176.61 1out h LEU 77 N 5.89 0.26 -0.27 -1.34 3.38 -1.72 0.55 115.31 122.06 1out h LEU 77 Ca 0.13 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.39 1out h LEU 77 Cb 1.03 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1out h LEU 77 CO 0.18 1.00 -0.30 0.58 0.09 0.00 0.00 178.44 179.99 1out h VAL 78 N -0.45 0.30 -0.32 1.22 2.07 -1.89 1.59 116.25 118.76 1out h VAL 78 Ca -0.04 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1out h VAL 78 Cb 1.04 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1out h VAL 78 CO 0.06 0.00 -0.39 1.23 0.02 0.00 0.00 177.57 178.49 1out h GLY 79 N -0.29 0.85 1.10 2.17 0.00 -1.94 -2.10 103.07 102.85 1out h GLY 79 Ca 0.14 -0.86 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 1out h GLY 79 CO -0.43 0.78 -0.26 -1.33 0.00 0.00 0.00 176.54 175.29 1out h GLY 80 N 0.90 1.05 1.30 4.60 0.00 0.14 -3.11 103.07 107.96 1out h GLY 80 Ca 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1out h GLY 80 CO 0.09 0.88 -0.05 1.03 0.00 0.00 0.00 176.54 178.49 1out n MET 81 N -4.11 0.53 -0.38 4.80 2.81 0.53 -4.63 117.12 116.66 1out n MET 81 Ca -0.01 -0.08 -0.06 0.00 -1.81 0.00 0.00 57.70 55.74 1out n MET 81 Cb 0.48 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 1out n MET 81 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1out n SER 82 N -1.16 -0.82 0.01 7.83 2.88 -0.79 -1.84 113.62 119.73 1out n SER 82 Ca 0.14 1.67 -0.02 0.00 -1.33 0.00 0.00 58.87 59.33 1out n SER 82 Cb 0.25 -0.29 0.24 0.00 -0.75 0.00 0.00 64.21 63.66 1out n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1out h ALA 83 N 0.86 1.21 0.00 -1.46 0.00 -1.85 -2.03 119.26 115.99 1out h ALA 83 Ca 0.23 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1out h ALA 83 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1out h ALA 83 CO -0.91 0.51 -0.45 1.25 0.00 0.00 0.00 179.25 179.65 1out h LEU 84 N 0.44 0.00 0.06 0.00 7.12 -1.72 -2.79 115.31 118.42 1out h LEU 84 Ca 0.08 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1out h LEU 84 Cb 0.54 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1out h LEU 84 CO 0.03 0.45 -0.03 -1.28 -0.13 0.00 0.00 178.44 177.49 1out h SER 85 N 0.00 -0.07 -0.58 1.25 0.87 -1.16 -1.05 113.55 112.81 1out h SER 85 Ca -0.00 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1out h SER 85 Cb 1.16 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 1out h SER 85 CO 0.06 0.26 0.05 0.44 -0.53 0.00 0.00 176.83 177.11 1out h ASP 86 N -0.41 -0.15 -0.27 6.23 3.32 -1.34 1.16 116.42 124.95 1out h ASP 86 Ca -0.01 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1out h ASP 86 Cb 0.36 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1out h ASP 86 CO 0.01 -0.06 0.13 0.25 -1.72 0.00 0.00 179.24 177.86 1out h LEU 87 N 0.17 0.35 -0.51 1.55 6.46 -1.37 0.19 115.31 122.15 1out h LEU 87 Ca 0.30 -0.11 -0.16 0.00 -0.12 0.00 0.00 57.88 57.79 1out h LEU 87 Cb 0.47 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1out h LEU 87 CO -0.45 0.36 -0.51 0.45 -0.62 0.00 0.00 178.44 177.67 1out h HIS 88 N 0.31 0.77 -0.12 1.25 3.86 -0.05 -0.04 115.15 121.12 1out h HIS 88 Ca 0.09 -0.26 -0.14 0.00 -1.16 0.00 0.00 60.37 58.90 1out h HIS 88 Cb 0.10 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.43 1out h HIS 88 CO -0.02 1.00 -0.47 0.00 0.86 0.00 0.00 177.93 179.30 1out h ALA 89 N 0.95 0.22 0.00 2.45 0.00 0.16 0.36 119.26 123.41 1out h ALA 89 Ca 0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1out h ALA 89 Cb 1.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1out h ALA 89 CO 0.10 0.38 -1.57 1.19 0.00 0.00 0.00 179.25 179.35 1out n PHE 90 N -4.25 0.00 -0.09 0.00 3.72 0.65 -4.26 117.46 113.23 1out n PHE 90 Ca -0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.23 1out n PHE 90 Cb 0.58 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 1out n PHE 90 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1out n LYS 91 N -1.99 0.52 0.10 -1.08 4.01 -0.64 -4.71 118.16 114.37 1out n LYS 91 Ca -0.05 0.26 -0.16 0.00 -0.51 0.00 0.00 58.31 57.85 1out n LYS 91 Cb 0.39 -1.47 -0.11 0.00 -0.51 0.00 0.00 35.03 33.34 1out n LYS 91 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1out h LEU 92 N -1.00 0.50 -1.84 -0.35 3.38 -1.15 -3.48 115.31 111.36 1out h LEU 92 Ca -0.04 -0.49 -0.39 0.00 0.09 0.00 0.00 57.88 57.05 1out h LEU 92 Cb 0.97 -0.16 0.08 0.00 0.09 0.00 0.00 40.66 41.65 1out h LEU 92 CO -0.02 1.34 -0.82 0.54 0.09 0.00 0.00 178.44 179.56 1out n ARG 93 N -3.63 -4.97 -2.93 1.13 5.12 0.13 -4.95 116.66 106.56 1out n ARG 93 Ca -0.09 0.67 -0.41 0.00 -1.93 0.00 0.00 57.85 56.09 1out n ARG 93 Cb 0.96 -5.30 -0.05 0.00 -1.16 0.00 0.00 32.46 26.92 1out n ARG 93 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1out s VAL 94 N -3.59 4.87 0.05 1.55 1.01 -1.13 -4.99 120.40 118.17 1out s VAL 94 Ca 0.04 1.51 -0.34 0.00 0.00 0.00 0.00 61.98 63.19 1out s VAL 94 Cb -0.01 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.15 1out s VAL 94 CO 0.80 -0.04 1.69 -0.67 0.00 0.00 0.00 175.10 176.87 1out n ASP 95 N 5.83 3.13 -0.20 3.32 2.03 -1.26 -4.83 116.55 124.57 1out n ASP 95 Ca 0.04 1.04 0.21 0.00 0.52 0.00 0.00 54.79 56.61 1out n ASP 95 Cb 0.48 -1.38 0.58 0.00 -0.72 0.00 0.00 41.12 40.08 1out n ASP 95 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1out h PRO 96 N 7.17 0.25 -0.13 -0.67 0.11 -1.99 -1.18 132.00 135.56 1out h PRO 96 Ca -0.46 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1out h PRO 96 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1out h PRO 96 CO 0.91 0.17 0.21 0.78 -0.21 0.00 0.00 178.00 179.85 1out h GLY 97 N 0.26 0.00 2.00 -0.55 0.00 -2.01 0.76 103.07 103.53 1out h GLY 97 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1out h GLY 97 CO -0.11 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.86 1out h ASN 98 N 0.00 0.00 -0.32 0.19 2.35 -1.57 -2.85 115.58 113.38 1out h ASN 98 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1out h ASN 98 Cb 0.48 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1out h ASN 98 CO -0.00 0.00 -0.02 -0.26 -1.65 0.00 0.00 177.43 175.50 1out h PHE 99 N 0.00 0.73 0.00 1.19 0.04 -1.02 -2.08 116.94 115.80 1out h PHE 99 Ca 0.00 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.57 1out h PHE 99 Cb 0.48 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 1out h PHE 99 CO 0.00 0.70 -0.50 0.87 -0.60 0.00 0.00 178.31 178.78 1out h LYS 100 N 0.64 0.00 -0.29 1.51 1.57 -1.64 -1.67 116.57 116.70 1out h LYS 100 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1out h LYS 100 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1out h LYS 100 CO 0.02 0.50 -0.03 0.82 -0.57 0.00 0.00 179.45 180.19 1out h ILE 101 N 0.00 1.27 -0.04 1.86 2.04 -1.50 -1.34 117.51 119.80 1out h ILE 101 Ca -0.01 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1out h ILE 101 Cb 0.99 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1out h ILE 101 CO 0.07 0.32 0.02 0.25 0.00 0.00 0.00 178.15 178.81 1out h LEU 102 N 0.32 0.03 -0.42 1.44 6.46 -1.25 -1.77 115.31 120.11 1out h LEU 102 Ca 0.08 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.93 1out h LEU 102 Cb 0.49 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.33 1out h LEU 102 CO 0.02 0.02 -0.16 0.28 -0.62 0.00 0.00 178.44 177.98 1out h SER 103 N 0.04 -0.56 -0.69 1.25 0.02 -1.10 -0.38 113.55 112.13 1out h SER 103 Ca 0.01 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 1out h SER 103 Cb 0.00 0.33 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 1out h SER 103 CO -0.01 -0.19 0.38 -0.74 -1.14 0.00 0.00 176.83 175.12 1out h HIS 104 N -0.07 0.69 0.00 3.45 -0.00 -0.99 -1.67 115.15 116.56 1out h HIS 104 Ca 0.21 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1out h HIS 104 Cb 0.39 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1out h HIS 104 CO -0.42 0.31 -0.13 -0.91 -0.00 0.00 0.00 177.93 176.79 1out h ASN 105 N 0.68 0.00 -0.21 3.26 2.35 -0.23 -2.09 115.58 119.34 1out h ASN 105 Ca 0.32 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.92 1out h ASN 105 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1out h ASN 105 CO -0.20 0.13 -0.43 0.40 -1.65 0.00 0.00 177.43 175.68 1out h ILE 106 N 0.00 1.32 -0.45 2.81 2.04 -0.30 -2.36 117.51 120.56 1out h ILE 106 Ca -0.00 -1.65 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 1out h ILE 106 Cb 0.41 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1out h ILE 106 CO 0.02 0.52 0.15 -0.07 0.00 0.00 0.00 178.15 178.76 1out h LEU 107 N 0.37 0.65 -0.44 1.44 3.38 -0.83 -0.63 115.31 119.25 1out h LEU 107 Ca 0.01 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1out h LEU 107 Cb 1.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 1out h LEU 107 CO 0.10 0.67 0.15 0.58 0.09 0.00 0.00 178.44 180.03 1out h VAL 108 N 0.59 0.85 -0.55 1.22 2.07 -1.43 -0.42 116.25 118.58 1out h VAL 108 Ca 0.15 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1out h VAL 108 Cb 0.25 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1out h VAL 108 CO -0.01 0.06 0.01 0.74 0.02 0.00 0.00 177.57 178.39 1out h THR 109 N 0.31 1.26 -0.41 2.57 2.02 -1.21 -2.16 112.91 115.29 1out h THR 109 Ca 0.21 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1out h THR 109 Cb 0.21 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1out h THR 109 CO -0.22 0.39 0.18 -0.07 0.37 0.00 0.00 175.52 176.17 1out h LEU 110 N 0.87 0.55 -0.87 2.58 3.38 -0.60 -0.44 115.31 120.78 1out h LEU 110 Ca 0.16 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1out h LEU 110 Cb 0.50 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1out h LEU 110 CO 0.02 0.54 0.53 0.00 0.09 0.00 0.00 178.44 179.62 1out h ALA 111 N 1.03 1.22 0.33 1.53 0.00 -0.94 0.39 119.26 122.82 1out h ALA 111 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1out h ALA 111 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1out h ALA 111 CO -0.01 0.22 -0.16 0.82 0.00 0.00 0.00 179.25 180.12 1out h ILE 112 N 0.92 0.69 0.00 0.00 2.04 -0.97 -2.16 117.51 118.04 1out h ILE 112 Ca 0.40 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1out h ILE 112 Cb 0.27 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1out h ILE 112 CO -0.21 0.08 -0.27 0.45 0.00 0.00 0.00 178.15 178.20 1out h HIS 113 N -0.66 0.00 -1.19 1.37 3.86 -0.81 -3.39 115.15 114.34 1out h HIS 113 Ca -0.04 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.78 1out h HIS 113 Cb 0.46 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.53 1out h HIS 113 CO -0.00 0.21 -1.18 1.19 0.86 0.00 0.00 177.93 179.02 1out n PHE 114 N -3.13 1.11 -0.05 2.45 3.72 0.13 -4.97 117.46 116.72 1out n PHE 114 Ca 0.03 -2.98 0.15 0.00 -0.05 0.00 0.00 57.45 54.60 1out n PHE 114 Cb 0.62 -0.38 0.57 0.00 -0.94 0.00 0.00 39.48 39.36 1out n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1out h PRO 115 N 2.98 0.24 0.14 -1.08 0.13 -1.53 0.40 132.00 133.29 1out h PRO 115 Ca -0.05 -0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.76 1out h PRO 115 Cb 1.13 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1out h PRO 115 CO 0.52 0.16 -1.50 0.77 -0.23 0.00 0.00 178.00 177.71 1out h SER 116 N 0.25 0.46 1.43 1.44 0.02 -1.93 -3.34 113.55 111.88 1out h SER 116 Ca 0.27 -0.60 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1out h SER 116 Cb 0.74 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1out h SER 116 CO -0.06 1.49 -0.59 0.44 -1.14 0.00 0.00 176.83 176.98 1out h ASP 117 N 0.08 0.00 -1.92 3.07 3.32 -1.84 -3.40 116.42 115.73 1out h ASP 117 Ca -0.24 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.05 1out h ASP 117 Cb 2.03 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 41.40 1out h ASP 117 CO 0.18 0.37 1.59 0.33 -1.72 0.00 0.00 179.24 180.00 1out n PHE 118 N -3.10 3.30 -1.90 4.55 7.35 0.13 -4.82 117.46 122.98 1out n PHE 118 Ca 0.00 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.49 1out n PHE 118 Cb 0.70 -1.85 0.10 0.00 0.35 0.00 0.00 39.48 38.78 1out n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1out s THR 119 N -0.10 2.00 0.20 -2.13 -4.23 -1.26 -4.78 115.64 105.34 1out s THR 119 Ca 0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1out s THR 119 Cb 0.05 -3.00 0.13 0.00 1.34 0.00 0.00 72.50 71.03 1out s THR 119 CO 0.02 0.00 1.75 -0.65 -0.54 0.00 0.00 174.62 175.20 1out h PRO 120 N -1.13 0.39 -0.67 3.99 0.11 -1.98 0.90 132.00 133.61 1out h PRO 120 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1out h PRO 120 Cb 1.32 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1out h PRO 120 CO 0.63 0.26 0.31 0.93 -0.21 0.00 0.00 178.00 179.92 1out h GLU 121 N 0.41 0.98 -0.43 1.05 3.07 -1.97 0.11 114.58 117.79 1out h GLU 121 Ca 0.28 -0.15 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 1out h GLU 121 Cb 0.32 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1out h GLU 121 CO -0.28 0.79 -0.25 0.28 -1.40 0.00 0.00 179.01 178.15 1out h VAL 122 N 0.94 1.27 0.37 3.13 2.07 -1.62 -3.05 116.25 119.36 1out h VAL 122 Ca 0.23 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1out h VAL 122 Cb 0.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1out h VAL 122 CO -0.03 0.48 -0.34 -0.74 0.02 0.00 0.00 177.57 176.96 1out h HIS 123 N 0.78 -0.92 -0.40 1.57 6.17 0.19 -1.73 115.15 120.80 1out h HIS 123 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1out h HIS 123 Cb 0.82 0.36 -0.02 0.00 2.52 0.00 0.00 27.41 31.08 1out h HIS 123 CO 0.05 -0.49 0.26 0.97 0.71 0.00 0.00 177.93 179.43 1out h ILE 124 N -0.73 1.11 -0.22 6.26 2.10 -0.89 -1.12 117.51 124.02 1out h ILE 124 Ca -0.03 -0.21 -0.00 0.00 1.08 0.00 0.00 64.86 65.70 1out h ILE 124 Cb 0.65 0.53 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1out h ILE 124 CO -0.05 0.11 0.12 0.00 -1.08 0.00 0.00 178.15 177.25 1out h ALA 125 N 1.14 0.28 -0.21 0.18 0.00 -1.46 -1.61 119.26 117.58 1out h ALA 125 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1out h ALA 125 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1out h ALA 125 CO -0.03 -0.21 -0.19 0.28 0.00 0.00 0.00 179.25 179.10 1out h VAL 126 N 0.25 1.23 -0.58 0.00 2.07 -1.27 -0.73 116.25 117.22 1out h VAL 126 Ca 0.08 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1out h VAL 126 Cb 0.04 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1out h VAL 126 CO -0.01 0.33 0.11 -0.78 0.02 0.00 0.00 177.57 177.24 1out h ASP 127 N 0.33 0.90 -0.50 0.57 3.58 -0.94 0.45 116.42 120.81 1out h ASP 127 Ca 0.06 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 1out h ASP 127 Cb 0.53 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1out h ASP 127 CO 0.03 0.92 0.11 0.11 -2.88 0.00 0.00 179.24 177.54 1out h LYS 128 N 0.85 0.81 -0.36 0.28 1.57 -0.72 0.21 116.57 119.21 1out h LYS 128 Ca 0.18 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1out h LYS 128 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1out h LYS 128 CO 0.01 0.78 -0.06 0.35 -0.57 0.00 0.00 179.45 179.96 1out h PHE 129 N 0.69 0.62 -0.05 -1.35 3.57 -0.97 0.38 116.94 119.84 1out h PHE 129 Ca 0.16 -0.08 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 1out h PHE 129 Cb 0.34 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1out h PHE 129 CO 0.02 0.64 -0.76 -0.07 -2.23 0.00 0.00 178.31 175.91 1out h LEU 130 N 0.55 0.40 -0.61 0.59 3.38 -0.64 -0.75 115.31 118.23 1out h LEU 130 Ca 0.11 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1out h LEU 130 Cb 0.44 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1out h LEU 130 CO 0.02 1.02 -0.09 0.00 0.09 0.00 0.00 178.44 179.48 1out h ALA 131 N 0.97 0.82 -0.08 1.53 0.00 -0.18 -0.60 119.26 121.72 1out h ALA 131 Ca -0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1out h ALA 131 Cb 1.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1out h ALA 131 CO 0.13 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.57 1out h ALA 132 N 0.99 1.07 -0.33 0.00 0.00 -0.07 -0.22 119.26 120.70 1out h ALA 132 Ca 0.14 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1out h ALA 132 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1out h ALA 132 CO 0.04 0.62 -0.34 0.28 0.00 0.00 0.00 179.25 179.86 1out h VAL 133 N 0.16 1.28 0.09 0.00 2.07 -0.76 -1.58 116.25 117.52 1out h VAL 133 Ca 0.01 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1out h VAL 133 Cb 0.89 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1out h VAL 133 CO 0.07 0.49 -0.04 0.28 0.02 0.00 0.00 177.57 178.39 1out h SER 134 N 0.62 -0.10 -0.86 0.57 0.02 -0.64 -1.45 113.55 111.71 1out h SER 134 Ca 0.06 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1out h SER 134 Cb 0.88 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.37 1out h SER 134 CO 0.08 -0.03 0.51 0.00 -1.14 0.00 0.00 176.83 176.25 1out h ALA 135 N 0.74 1.23 -0.66 3.77 0.00 -0.93 0.15 119.26 123.57 1out h ALA 135 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1out h ALA 135 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1out h ALA 135 CO 0.02 0.16 0.14 0.00 0.00 0.00 0.00 179.25 179.57 1out h ALA 136 N 1.46 0.87 -0.19 0.00 0.00 -0.99 -1.22 119.26 119.18 1out h ALA 136 Ca 0.41 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1out h ALA 136 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1out h ALA 136 CO -0.23 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.05 1out h LEU 137 N 0.99 0.56 -0.50 0.00 3.38 -0.63 -3.17 115.31 115.94 1out h LEU 137 Ca 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1out h LEU 137 Cb 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1out h LEU 137 CO 0.01 0.96 -0.13 0.00 0.09 0.00 0.00 178.44 179.36 1out h ALA 138 N 1.06 0.94 -0.93 1.53 0.00 -0.68 -3.40 119.26 117.78 1out h ALA 138 Ca 0.02 -0.12 0.27 0.00 0.00 0.00 0.00 54.91 55.08 1out h ALA 138 Cb 1.01 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1out h ALA 138 CO 0.09 0.16 0.27 0.22 0.00 0.00 0.00 179.25 180.00 1out h ASP 139 N 0.00 0.01 -0.50 0.00 3.58 -1.20 -1.24 116.42 117.07 1out h ASP 139 Ca -0.00 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1out h ASP 139 Cb 0.93 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1out h ASP 139 CO 0.02 -0.22 0.00 0.29 -2.88 0.00 0.00 179.24 176.45 1out n LYS 140 N -5.26 2.21 -0.25 0.28 4.76 -1.26 -4.52 118.16 114.12 1out n LYS 140 Ca 0.25 -1.88 -0.03 0.00 -2.87 0.00 0.00 58.31 53.78 1out n LYS 140 Cb 0.80 -1.41 0.14 0.00 -1.84 0.00 0.00 35.03 32.72 1out n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1out h TYR 141 N 3.11 1.09 0.00 2.13 -1.99 -1.50 -3.48 116.97 116.33 1out h TYR 141 Ca 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1out h TYR 141 Cb 0.71 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.10 1out h TYR 141 CO 0.33 0.78 0.00 2.89 -0.00 0.00 0.00 178.16 182.17