#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1out s GLU 2 N 0.00 3.87 -0.01 5.55 0.41 -1.26 -4.80 118.70 122.45 1out s GLU 2 Ca 0.00 0.50 0.08 0.00 -0.41 0.00 0.00 54.97 55.14 1out s GLU 2 Cb 0.00 -3.77 -0.02 0.00 -1.78 0.00 0.00 34.13 28.56 1out s GLU 2 CO 0.00 -0.79 -0.26 -1.58 -0.49 0.00 0.00 175.26 172.15 1out s TRP 3 N 3.11 2.29 0.48 1.61 0.52 -1.26 -5.14 118.94 120.55 1out s TRP 3 Ca 0.33 -0.43 -0.02 0.00 0.02 0.00 0.00 56.10 56.00 1out s TRP 3 Cb -0.13 -1.47 -0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1out s TRP 3 CO 0.15 -0.02 0.74 0.95 0.02 0.00 0.00 176.95 178.79 1out s THR 4 N -0.62 4.11 0.35 2.01 -4.23 -1.26 -4.96 115.64 111.04 1out s THR 4 Ca 0.10 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1out s THR 4 Cb -0.10 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.36 1out s THR 4 CO -0.01 -0.46 1.90 0.44 -0.54 0.00 0.00 174.62 175.95 1out h ASP 5 N 0.25 0.45 -0.40 3.99 5.19 -2.00 -1.74 116.42 122.15 1out h ASP 5 Ca -0.46 -0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 55.79 1out h ASP 5 Cb 1.24 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1out h ASP 5 CO 0.59 0.52 -0.01 0.00 -3.12 0.00 0.00 179.24 177.22 1out h ALA 6 N 1.54 1.08 -0.47 3.45 0.00 -1.99 0.13 119.26 123.00 1out h ALA 6 Ca 0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1out h ALA 6 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1out h ALA 6 CO 0.01 0.58 0.14 0.93 0.00 0.00 0.00 179.25 180.91 1out h GLU 7 N 0.75 0.74 -0.65 0.00 5.08 -1.80 -1.07 114.58 117.63 1out h GLU 7 Ca 0.14 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1out h GLU 7 Cb 0.47 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1out h GLU 7 CO 0.02 0.71 0.39 0.87 -1.00 0.00 0.00 179.01 180.01 1out h LYS 8 N 0.63 0.87 -0.73 2.33 1.57 -0.89 -1.31 116.57 119.04 1out h LYS 8 Ca 0.15 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1out h LYS 8 Cb 0.29 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1out h LYS 8 CO -0.00 0.62 0.29 0.77 -0.57 0.00 0.00 179.45 180.56 1out h SER 9 N 0.88 0.99 -0.08 0.86 0.02 -0.45 -1.51 113.55 114.26 1out h SER 9 Ca 0.23 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1out h SER 9 Cb -0.03 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1out h SER 9 CO -0.04 0.88 0.03 0.74 -1.14 0.00 0.00 176.83 177.30 1out h THR 10 N 1.06 1.13 -0.78 -2.27 2.02 -0.58 0.32 112.91 113.80 1out h THR 10 Ca 0.25 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 1out h THR 10 Cb 0.20 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1out h THR 10 CO -0.02 0.11 0.38 0.40 0.37 0.00 0.00 175.52 176.76 1out h ILE 11 N -0.02 1.25 -0.39 3.11 1.08 -1.15 -0.14 117.51 121.25 1out h ILE 11 Ca 0.03 -0.68 -0.15 0.00 -0.39 0.00 0.00 64.86 63.67 1out h ILE 11 Cb 0.14 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 1out h ILE 11 CO -0.00 0.29 -0.36 0.77 -0.69 0.00 0.00 178.15 178.16 1out h SER 12 N 1.10 0.96 -0.91 1.72 4.64 -1.13 -0.94 113.55 118.99 1out h SER 12 Ca 0.27 -0.43 0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1out h SER 12 Cb 0.11 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 1out h SER 12 CO -0.04 1.22 0.59 0.00 -0.87 0.00 0.00 176.83 177.73 1out h ALA 13 N 0.83 1.21 -0.06 5.18 0.00 -0.53 0.40 119.26 126.30 1out h ALA 13 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1out h ALA 13 Cb 0.94 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1out h ALA 13 CO 0.09 0.44 -0.02 0.28 0.00 0.00 0.00 179.25 180.05 1out h VAL 14 N 1.14 1.30 0.00 0.00 2.07 -0.75 -2.88 116.25 117.13 1out h VAL 14 Ca 0.37 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1out h VAL 14 Cb 0.02 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1out h VAL 14 CO -0.13 0.25 -0.14 -0.25 0.02 0.00 0.00 177.57 177.33 1out h TRP 15 N -0.24 0.00 -0.46 1.57 2.91 -0.88 -2.07 115.95 116.79 1out h TRP 15 Ca 0.01 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 1out h TRP 15 Cb 0.41 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 1out h TRP 15 CO 0.05 0.14 0.10 0.78 -1.03 0.00 0.00 178.44 178.49 1out h GLY 16 N 0.67 0.75 0.26 2.65 0.00 0.02 -2.30 103.07 105.12 1out h GLY 16 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1out h GLY 16 CO 0.02 0.39 -0.09 0.28 0.00 0.00 0.00 176.54 177.14 1out n LYS 17 N -4.29 1.12 -2.86 4.80 5.02 -0.81 -4.88 118.16 116.26 1out n LYS 17 Ca 0.03 -0.53 -0.41 0.00 -2.02 0.00 0.00 58.31 55.38 1out n LYS 17 Cb 0.22 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1out n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1out s VAL 18 N -2.25 4.95 -0.55 -0.18 1.01 -0.87 -5.01 120.40 117.51 1out s VAL 18 Ca 0.34 1.78 -0.17 0.00 0.00 0.00 0.00 61.98 63.93 1out s VAL 18 Cb 0.20 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1out s VAL 18 CO 0.42 0.19 0.55 0.21 0.00 0.00 0.00 175.10 176.48 1out s ASN 19 N 0.92 6.18 0.28 3.32 2.47 -1.26 -4.94 114.94 121.92 1out s ASN 19 Ca 0.45 -1.59 0.02 0.00 0.42 0.00 0.00 52.86 52.17 1out s ASN 19 Cb -0.19 -2.24 0.66 0.00 -1.45 0.00 0.00 41.25 38.03 1out s ASN 19 CO 0.23 -0.91 1.72 0.40 -3.72 0.00 0.00 177.10 174.82 1out h ILE 20 N 5.88 0.57 0.00 -5.21 5.03 -1.95 0.25 117.51 122.08 1out h ILE 20 Ca -0.30 -0.17 -0.03 0.00 -0.12 0.00 0.00 64.86 64.25 1out h ILE 20 Cb 1.10 0.04 -0.00 0.00 -3.03 0.00 0.00 36.82 34.92 1out h ILE 20 CO 1.04 0.09 -0.13 0.44 -0.68 0.00 0.00 178.15 178.90 1out h ASP 21 N 0.49 0.00 0.01 1.72 3.32 -1.95 -1.61 116.42 118.40 1out h ASP 21 Ca 0.53 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.17 1out h ASP 21 Cb 0.92 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 1out h ASP 21 CO -0.47 0.13 -2.29 1.21 -1.72 0.00 0.00 179.24 176.10 1out n GLU 22 N -4.14 0.61 0.07 3.56 2.13 0.25 -4.60 120.64 118.52 1out n GLU 22 Ca -0.02 0.29 -0.05 0.00 0.66 0.00 0.00 57.16 58.03 1out n GLU 22 Cb 0.21 -1.56 0.14 0.00 0.27 0.00 0.00 31.44 30.50 1out n GLU 22 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1out h ILE 23 N -0.69 1.35 0.64 6.31 2.04 -0.65 -3.04 117.51 123.48 1out h ILE 23 Ca -0.60 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 63.41 1out h ILE 23 Cb 1.67 1.87 0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1out h ILE 23 CO -0.28 0.55 -0.31 1.23 0.00 0.00 0.00 178.15 179.34 1out h GLY 24 N 1.33 -0.90 -0.48 5.37 0.00 -1.50 -0.92 103.07 105.97 1out h GLY 24 Ca 0.00 0.33 0.14 0.00 0.00 0.00 0.00 47.33 47.81 1out h GLY 24 CO 0.09 -0.33 -0.21 -2.55 0.00 0.00 0.00 176.54 173.54 1out h PRO 25 N -0.99 -0.02 -0.42 4.80 0.11 -1.75 0.25 132.00 133.98 1out h PRO 25 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1out h PRO 25 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1out h PRO 25 CO 0.14 -0.01 0.26 -0.07 -0.21 0.00 0.00 178.00 178.11 1out h LEU 26 N -0.02 0.50 -0.08 2.35 3.38 -1.52 -0.50 115.31 119.41 1out h LEU 26 Ca 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1out h LEU 26 Cb 0.54 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1out h LEU 26 CO -0.76 0.39 0.01 0.00 0.09 0.00 0.00 178.44 178.18 1out h ALA 27 N 1.13 0.11 -0.51 1.53 0.00 -0.39 -0.78 119.26 120.35 1out h ALA 27 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1out h ALA 27 Cb -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1out h ALA 27 CO -0.03 -0.23 0.16 1.25 0.00 0.00 0.00 179.25 180.40 1out h LEU 28 N -0.11 0.74 -0.79 0.00 5.85 -0.53 -2.14 115.31 118.34 1out h LEU 28 Ca 0.03 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1out h LEU 28 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1out h LEU 28 CO 0.00 0.75 -0.44 0.00 -0.34 0.00 0.00 178.44 178.41 1out h ALA 29 N 1.02 0.96 -0.09 1.25 0.00 -1.06 -2.67 119.26 118.67 1out h ALA 29 Ca 0.16 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1out h ALA 29 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1out h ALA 29 CO -0.01 0.63 -0.45 -0.09 0.00 0.00 0.00 179.25 179.33 1out h ARG 30 N 0.31 0.22 -0.34 0.00 2.43 -0.95 -2.42 114.38 113.64 1out h ARG 30 Ca 0.02 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1out h ARG 30 Cb 0.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1out h ARG 30 CO 0.07 0.64 0.12 0.28 -1.51 0.00 0.00 179.97 179.57 1out h VAL 31 N 0.18 1.20 0.00 0.20 2.07 -1.16 -0.59 116.25 118.15 1out h VAL 31 Ca 0.01 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1out h VAL 31 Cb 0.88 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1out h VAL 31 CO 0.07 0.22 -0.21 -0.07 0.02 0.00 0.00 177.57 177.59 1out h LEU 32 N 0.39 0.00 0.07 2.57 3.38 -1.32 -1.56 115.31 118.85 1out h LEU 32 Ca 0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.84 1out h LEU 32 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1out h LEU 32 CO -0.01 0.21 -1.26 0.40 0.09 0.00 0.00 178.44 177.88 1out h ILE 33 N 0.00 1.06 0.00 1.22 2.04 -1.31 -3.27 117.51 117.24 1out h ILE 33 Ca -0.00 -2.33 -0.14 0.00 1.00 0.00 0.00 64.86 63.38 1out h ILE 33 Cb 0.43 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 1out h ILE 33 CO 0.03 0.61 -0.67 0.58 0.00 0.00 0.00 178.15 178.70 1out h VAL 34 N -0.53 1.39 -2.23 1.67 2.07 -1.10 -3.35 116.25 114.16 1out h VAL 34 Ca -0.29 -2.35 -0.59 0.00 0.82 0.00 0.00 66.70 64.29 1out h VAL 34 Cb 1.58 2.30 -0.41 0.00 -1.52 0.00 0.00 31.29 33.24 1out h VAL 34 CO -0.01 0.65 -0.78 -1.22 0.02 0.00 0.00 177.57 176.22 1out n TYR 35 N -3.62 2.00 0.30 1.57 4.01 -0.59 -5.00 117.16 115.83 1out n TYR 35 Ca -0.01 -3.92 0.19 0.00 -0.16 0.00 0.00 57.90 54.01 1out n TYR 35 Cb 0.68 -0.44 1.04 0.00 -0.31 0.00 0.00 39.34 40.31 1out n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1out h PRO 36 N 4.34 0.00 0.00 -0.72 0.13 -1.71 -1.10 132.00 132.95 1out h PRO 36 Ca 0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1out h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1out h PRO 36 CO 0.67 0.00 -0.00 0.11 -0.23 0.00 0.00 178.00 178.55 1out h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.22 115.95 113.47 1out h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1out h TRP 37 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.29 1out h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1out n THR 38 N -3.10 0.63 0.31 0.12 -2.24 -0.42 -2.36 114.28 107.22 1out n THR 38 Ca 0.00 0.16 0.16 0.00 -2.27 0.00 0.00 64.05 62.10 1out n THR 38 Cb 0.27 -0.90 0.67 0.00 -2.10 0.00 0.00 70.33 68.27 1out n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1out h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.61 -3.23 115.11 113.69 1out h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1out h GLN 39 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1out h GLN 39 CO 0.00 0.00 0.00 0.07 -0.67 0.00 0.00 178.83 178.23 1out h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.70 -0.13 114.38 114.12 1out h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1out h ARG 40 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 1out h ARG 40 CO 0.00 0.00 -0.74 0.66 0.10 0.00 0.00 179.97 179.99 1out n TYR 41 N -2.55 0.13 -1.57 4.08 4.01 -1.22 -4.46 117.16 115.59 1out n TYR 41 Ca -0.01 0.04 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 1out n TYR 41 Cb 0.08 -0.30 0.09 0.00 -0.31 0.00 0.00 39.34 38.90 1out n TYR 41 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1out n PHE 42 N -1.69 2.65 -0.11 -0.72 3.72 -0.06 -4.71 117.46 116.53 1out n PHE 42 Ca 0.04 -2.40 -0.10 0.00 -0.05 0.00 0.00 57.45 54.95 1out n PHE 42 Cb 0.37 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 1out n PHE 42 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1out h GLY 43 N 1.78 0.55 2.00 1.37 0.00 -1.78 -2.81 103.07 104.17 1out h GLY 43 Ca 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1out h GLY 43 CO 1.05 0.28 0.00 -1.14 0.00 0.00 0.00 176.54 176.74 1out n SER 44 N -4.70 0.22 0.00 0.19 3.41 -1.26 -2.85 113.62 108.63 1out n SER 44 Ca -0.01 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.30 1out n SER 44 Cb 0.14 -0.60 0.82 0.00 -0.26 0.00 0.00 64.21 64.31 1out n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1out n PHE 45 N -1.75 0.00 -1.90 7.33 3.01 -1.06 -5.01 117.46 118.08 1out n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1out n PHE 45 Cb 0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 1out n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1out n GLY 46 N 1.05 0.58 3.57 1.37 0.00 -1.13 -4.80 105.19 105.82 1out n GLY 46 Ca 0.18 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1out n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1out s ASN 47 N -4.00 6.43 -0.28 1.61 2.47 -1.26 -4.79 114.94 115.11 1out s ASN 47 Ca 0.00 0.03 0.08 0.00 0.42 0.00 0.00 52.86 53.39 1out s ASN 47 Cb 0.00 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.71 1out s ASN 47 CO 0.00 -1.46 1.23 1.33 -3.72 0.00 0.00 177.10 174.48 1out n VAL 48 N 6.60 2.49 -0.03 -5.21 0.24 -1.26 -4.35 118.33 116.81 1out n VAL 48 Ca 0.07 -3.92 -0.12 0.00 -2.04 0.00 0.00 64.34 58.34 1out n VAL 48 Cb 0.49 -0.91 -0.10 0.00 -1.47 0.00 0.00 33.84 31.85 1out n VAL 48 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1out h SER 49 N 1.86 -0.04 -1.96 -1.34 0.02 -1.92 -3.45 113.55 106.73 1out h SER 49 Ca 0.29 -0.66 -0.58 0.00 -0.84 0.00 0.00 61.79 59.99 1out h SER 49 Cb 1.40 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.84 1out h SER 49 CO 0.59 0.70 -0.62 0.42 -1.14 0.00 0.00 176.83 176.79 1out s THR 50 N -2.91 2.73 0.14 -2.27 -4.23 -1.26 -4.97 115.64 102.86 1out s THR 50 Ca -0.15 -1.96 -0.23 0.00 -1.18 0.00 0.00 61.69 58.16 1out s THR 50 Cb -0.01 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 1out s THR 50 CO 0.59 -0.22 1.65 -0.65 -0.54 0.00 0.00 174.62 175.45 1out h PRO 51 N 1.82 -0.23 -0.46 3.99 0.11 -1.97 1.52 132.00 136.77 1out h PRO 51 Ca -0.43 0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.78 1out h PRO 51 Cb 1.25 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 1out h PRO 51 CO 0.66 -0.15 0.04 0.00 -0.21 0.00 0.00 178.00 178.33 1out h ALA 52 N 0.78 0.47 -0.16 -0.75 0.00 -1.97 1.08 119.26 118.70 1out h ALA 52 Ca 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1out h ALA 52 Cb 0.39 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1out h ALA 52 CO -0.28 -0.36 -0.00 0.00 0.00 0.00 0.00 179.25 178.61 1out h ALA 53 N 1.39 0.22 -0.06 0.00 0.00 -1.66 -2.84 119.26 116.31 1out h ALA 53 Ca 0.23 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1out h ALA 53 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1out h ALA 53 CO -0.35 -0.07 0.00 0.82 0.00 0.00 0.00 179.25 179.65 1out h ILE 54 N 0.03 0.97 0.00 0.00 2.04 0.39 -1.94 117.51 118.99 1out h ILE 54 Ca 0.05 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1out h ILE 54 Cb 0.39 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1out h ILE 54 CO 0.01 0.00 0.00 0.24 0.00 0.00 0.00 178.15 178.40 1out h MET 55 N 0.03 0.00 -0.03 2.37 2.86 0.11 -2.48 114.93 117.78 1out h MET 55 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1out h MET 55 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1out h MET 55 CO -0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.34 1out n GLY 56 N -0.41 0.03 3.65 8.32 0.00 -0.97 -4.96 105.19 110.84 1out n GLY 56 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1out n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1out s ASN 57 N -1.14 6.81 0.32 1.61 3.84 -0.77 -4.89 114.94 120.73 1out s ASN 57 Ca 0.16 1.45 0.01 0.00 0.21 0.00 0.00 52.86 54.70 1out s ASN 57 Cb 0.12 -2.54 0.55 0.00 -0.55 0.00 0.00 41.25 38.82 1out s ASN 57 CO 0.17 -0.91 1.95 1.55 -2.79 0.00 0.00 177.10 177.07 1out h PRO 58 N 8.72 0.85 -0.10 0.43 0.13 -1.92 -2.21 132.00 137.91 1out h PRO 58 Ca -0.26 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.67 1out h PRO 58 Cb 1.10 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1out h PRO 58 CO 1.00 0.63 -0.45 0.87 -0.23 0.00 0.00 178.00 179.81 1out h LYS 59 N 0.86 0.24 0.19 0.86 1.57 -1.90 0.12 116.57 118.51 1out h LYS 59 Ca 0.22 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1out h LYS 59 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1out h LYS 59 CO -0.04 0.65 -0.09 0.28 -0.57 0.00 0.00 179.45 179.68 1out h VAL 60 N 0.20 0.89 -0.09 0.50 2.07 -1.75 0.66 116.25 118.73 1out h VAL 60 Ca 0.01 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1out h VAL 60 Cb 0.88 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1out h VAL 60 CO 0.07 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 177.69 1out h ALA 61 N 0.30 0.00 -0.33 1.67 0.00 -1.26 0.33 119.26 119.98 1out h ALA 61 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1out h ALA 61 Cb 0.35 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1out h ALA 61 CO 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 179.25 178.77 1out h ALA 62 N 0.99 0.31 -0.49 0.00 0.00 -0.70 -1.21 119.26 118.16 1out h ALA 62 Ca 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1out h ALA 62 Cb 0.17 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1out h ALA 62 CO -0.14 -0.39 0.13 1.25 0.00 0.00 0.00 179.25 180.10 1out h HIS 63 N 0.11 0.74 -0.74 0.00 6.17 0.03 -1.76 115.15 119.71 1out h HIS 63 Ca 0.16 -0.06 0.04 0.00 0.71 0.00 0.00 60.37 61.23 1out h HIS 63 Cb 0.21 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 29.87 1out h HIS 63 CO -0.22 0.62 0.45 0.78 0.71 0.00 0.00 177.93 180.27 1out h GLY 64 N 0.90 1.08 1.04 5.26 0.00 0.75 0.16 103.07 112.26 1out h GLY 64 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1out h GLY 64 CO -0.00 0.25 0.40 0.50 0.00 0.00 0.00 176.54 177.69 1out h LYS 65 N 0.86 1.23 0.28 4.80 1.57 -0.45 -1.80 116.57 123.06 1out h LYS 65 Ca 0.31 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1out h LYS 65 Cb 0.09 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1out h LYS 65 CO -0.14 0.95 -0.14 0.28 -0.57 0.00 0.00 179.45 179.83 1out h VAL 66 N 1.22 0.75 -0.51 0.50 2.07 -0.66 0.31 116.25 119.93 1out h VAL 66 Ca 0.29 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1out h VAL 66 Cb 0.13 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1out h VAL 66 CO -0.04 0.04 0.30 0.58 0.02 0.00 0.00 177.57 178.48 1out h VAL 67 N -0.48 1.04 -0.10 2.57 2.07 -0.57 -2.02 116.25 118.76 1out h VAL 67 Ca -0.04 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1out h VAL 67 Cb 0.36 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1out h VAL 67 CO 0.06 0.11 -0.49 0.00 0.02 0.00 0.00 177.57 177.27 1out h GLY 69 N 1.32 1.24 1.79 0.00 0.00 0.18 -2.64 103.07 104.96 1out h GLY 69 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1out h GLY 69 CO 0.08 0.66 0.10 0.00 0.00 0.00 0.00 176.54 177.38 1out h ALA 70 N 1.17 1.13 0.00 3.60 0.00 -1.13 -0.41 119.26 123.61 1out h ALA 70 Ca 0.25 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1out h ALA 70 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1out h ALA 70 CO -0.01 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.25 178.69 1out h LEU 71 N 0.00 0.00 -0.92 0.00 4.07 -1.51 -3.05 115.31 113.90 1out h LEU 71 Ca 0.00 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.18 1out h LEU 71 Cb 0.21 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.83 1out h LEU 71 CO -0.00 0.38 0.45 -0.78 -1.08 0.00 0.00 178.44 177.40 1out h ASP 72 N 0.00 0.44 -0.33 -0.43 3.58 -1.20 0.48 116.42 118.96 1out h ASP 72 Ca -0.00 0.14 -0.11 0.00 0.42 0.00 0.00 57.03 57.48 1out h ASP 72 Cb 0.82 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1out h ASP 72 CO 0.05 0.06 -0.17 0.11 -2.88 0.00 0.00 179.24 176.41 1out h LYS 73 N 0.48 0.79 0.06 0.28 1.57 -1.73 0.20 116.57 118.21 1out h LYS 73 Ca 0.57 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1out h LYS 73 Cb 1.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1out h LYS 73 CO -0.49 0.91 -0.03 0.00 -0.57 0.00 0.00 179.45 179.27 1out h ALA 74 N 1.11 -0.08 -0.89 3.86 0.00 -0.34 -0.90 119.26 122.03 1out h ALA 74 Ca 0.11 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1out h ALA 74 Cb 0.67 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1out h ALA 74 CO 0.05 -0.52 0.51 0.28 0.00 0.00 0.00 179.25 179.57 1out h VAL 75 N -0.13 0.83 -0.00 0.00 2.07 -0.29 -1.67 116.25 117.06 1out h VAL 75 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1out h VAL 75 Cb 0.11 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1out h VAL 75 CO 0.01 0.14 -0.15 0.29 0.02 0.00 0.00 177.57 177.89 1out n LYS 76 N -4.76 0.65 -2.35 1.57 5.02 0.68 -4.20 118.16 114.76 1out n LYS 76 Ca 0.17 -0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 56.00 1out n LYS 76 Cb 0.38 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1out n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1out n ASN 77 N -0.95 4.10 0.27 4.39 3.02 -0.37 -4.92 115.26 120.79 1out n ASN 77 Ca 0.13 -3.43 0.12 0.00 -0.03 0.00 0.00 54.58 51.37 1out n ASN 77 Cb 0.30 -0.42 0.66 0.00 -0.61 0.00 0.00 39.78 39.70 1out n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1out h MET 78 N 2.46 0.00 0.04 3.52 2.86 -1.71 0.67 114.93 122.77 1out h MET 78 Ca 0.24 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.62 1out h MET 78 Cb 1.24 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.92 1out h MET 78 CO 0.70 0.00 -1.01 0.78 1.06 0.00 0.00 176.91 178.44 1out h GLY 79 N 0.00 0.69 -6.21 8.32 0.00 -1.91 -3.36 103.07 100.60 1out h GLY 79 Ca 0.00 -1.29 -0.59 0.00 0.00 0.00 0.00 47.33 45.46 1out h GLY 79 CO 0.00 1.13 -0.81 1.16 0.00 0.00 0.00 176.54 178.03 1out n ASN 80 N -3.92 2.10 -0.09 0.19 6.94 0.22 -3.23 115.26 117.48 1out n ASN 80 Ca -0.12 -3.08 -0.15 0.00 -0.02 0.00 0.00 54.58 51.22 1out n ASN 80 Cb 0.87 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 1out n ASN 80 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1out h ILE 81 N 2.94 1.27 -0.28 1.53 2.04 -1.76 -2.31 117.51 120.94 1out h ILE 81 Ca 0.15 -1.69 0.06 0.00 1.00 0.00 0.00 64.86 64.39 1out h ILE 81 Cb 0.77 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.34 1out h ILE 81 CO 0.66 0.55 -0.41 -0.07 0.00 0.00 0.00 178.15 178.89 1out h LEU 82 N 0.69 -1.31 -0.95 1.44 -0.00 -1.90 -1.68 115.31 111.60 1out h LEU 82 Ca 0.03 0.19 -0.10 0.00 -0.00 0.00 0.00 57.88 58.00 1out h LEU 82 Cb 1.11 0.56 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 1out h LEU 82 CO 0.12 -0.38 -0.32 0.00 -0.00 0.00 0.00 178.44 177.85 1out h ALA 83 N 0.34 1.11 0.00 1.53 0.00 -1.97 -2.56 119.26 117.72 1out h ALA 83 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1out h ALA 83 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1out h ALA 83 CO -0.49 0.56 -0.19 1.15 0.00 0.00 0.00 179.25 180.29 1out h THR 84 N 0.32 0.76 -0.32 0.00 2.02 -0.74 -3.10 112.91 111.85 1out h THR 84 Ca 0.04 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1out h THR 84 Cb 0.73 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1out h THR 84 CO 0.06 0.19 0.00 -1.22 0.37 0.00 0.00 175.52 174.91 1out n TYR 85 N -3.76 0.43 -0.00 3.16 4.01 -0.76 -4.68 117.16 115.55 1out n TYR 85 Ca -0.02 -0.51 -0.14 0.00 -0.16 0.00 0.00 57.90 57.08 1out n TYR 85 Cb 0.30 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 1out n TYR 85 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1out h LYS 86 N 1.85 -0.53 -0.54 -0.72 3.64 -1.38 0.17 116.57 119.07 1out h LYS 86 Ca 0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1out h LYS 86 Cb 0.72 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1out h LYS 86 CO 0.00 -0.35 0.23 1.03 -2.27 0.00 0.00 179.45 178.10 1out h SER 87 N -0.55 0.29 -0.65 4.20 0.87 -1.83 -1.12 113.55 114.76 1out h SER 87 Ca 0.05 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1out h SER 87 Cb 0.66 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1out h SER 87 CO -0.42 0.19 0.30 -0.07 -0.53 0.00 0.00 176.83 176.31 1out h LEU 88 N 0.44 0.89 -0.84 2.23 3.38 -1.67 -2.15 115.31 117.60 1out h LEU 88 Ca 0.25 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1out h LEU 88 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1out h LEU 88 CO -0.22 0.77 0.17 -1.28 0.09 0.00 0.00 178.44 177.98 1out h SER 89 N 0.97 0.98 0.01 -0.43 0.87 -0.05 -2.09 113.55 113.81 1out h SER 89 Ca 0.23 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1out h SER 89 Cb 0.14 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1out h SER 89 CO -0.03 0.94 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.51 1out h GLU 90 N 1.00 0.48 -0.08 2.24 5.08 -0.81 -0.19 114.58 122.29 1out h GLU 90 Ca 0.21 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1out h GLU 90 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1out h GLU 90 CO -0.00 0.78 -0.64 1.79 -1.00 0.00 0.00 179.01 179.93 1out h THR 91 N 0.40 1.39 -0.46 1.13 1.35 -1.18 0.16 112.91 115.70 1out h THR 91 Ca 0.04 -2.04 -0.11 0.00 -0.55 0.00 0.00 66.41 63.75 1out h THR 91 Cb 0.83 2.03 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 1out h THR 91 CO 0.07 0.61 -0.16 0.45 -0.25 0.00 0.00 175.52 176.24 1out h HIS 92 N 0.22 0.98 0.15 4.73 3.86 -1.19 0.34 115.15 124.24 1out h HIS 92 Ca -0.01 -0.21 -0.29 0.00 -1.16 0.00 0.00 60.37 58.71 1out h HIS 92 Cb 1.17 -0.24 0.03 0.00 1.06 0.00 0.00 27.41 29.43 1out h HIS 92 CO 0.03 0.96 -1.21 0.00 0.86 0.00 0.00 177.93 178.57 1out h ALA 93 N 1.04 -0.06 0.00 2.45 0.00 -0.83 0.15 119.26 122.02 1out h ALA 93 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1out h ALA 93 Cb 0.68 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1out h ALA 93 CO 0.05 0.62 -1.71 0.09 0.00 0.00 0.00 179.25 178.30 1out n ASN 94 N -3.85 0.76 -0.04 0.00 3.02 0.54 -4.06 115.26 111.64 1out n ASN 94 Ca -0.14 -0.13 -0.04 0.00 -0.03 0.00 0.00 54.58 54.23 1out n ASN 94 Cb 0.98 1.73 -0.04 0.00 -0.61 0.00 0.00 39.78 41.84 1out n ASN 94 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1out n LYS 95 N -2.05 1.19 -0.00 3.52 5.02 0.60 -4.76 118.16 121.68 1out n LYS 95 Ca -0.02 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1out n LYS 95 Cb 0.46 -1.15 -0.15 0.00 -0.02 0.00 0.00 35.03 34.16 1out n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1out n LEU 96 N -2.55 0.15 -3.82 -0.35 4.77 0.87 -5.00 117.00 111.07 1out n LEU 96 Ca -0.12 -0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.58 1out n LEU 96 Cb 0.66 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1out n LEU 96 CO 0.09 0.01 0.05 0.49 -1.33 0.00 0.00 177.39 176.71 1out n PHE 97 N -2.23 -2.20 -2.70 -1.77 3.72 0.44 -4.94 117.46 107.78 1out n PHE 97 Ca -0.03 0.89 -0.42 0.00 -0.05 0.00 0.00 57.45 57.84 1out n PHE 97 Cb 0.55 -4.19 -0.03 0.00 -0.94 0.00 0.00 39.48 34.87 1out n PHE 97 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1out s VAL 98 N -3.44 4.82 0.14 -4.37 1.01 -0.70 -4.99 120.40 112.87 1out s VAL 98 Ca 0.42 2.05 -0.31 0.00 0.00 0.00 0.00 61.98 64.14 1out s VAL 98 Cb -0.21 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 1out s VAL 98 CO 0.82 0.07 1.73 -0.62 0.00 0.00 0.00 175.10 177.10 1out s ASP 99 N 1.06 6.47 0.50 3.32 -1.08 -1.26 -4.77 116.67 120.91 1out s ASP 99 Ca 0.50 2.71 0.33 0.00 -0.52 0.00 0.00 52.55 55.57 1out s ASP 99 Cb -0.19 -2.58 1.60 0.00 -1.46 0.00 0.00 42.92 40.29 1out s ASP 99 CO 0.22 -0.95 2.01 1.55 0.52 0.00 0.00 175.17 178.52 1out h PRO 100 N 7.89 0.00 0.00 4.34 0.13 -1.96 -1.13 132.00 141.27 1out h PRO 100 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1out h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1out h PRO 100 CO 0.94 0.00 -0.08 0.22 -0.23 0.00 0.00 178.00 178.86 1out h ASP 101 N 0.00 0.00 -0.12 1.44 3.58 -1.99 -1.32 116.42 118.00 1out h ASP 101 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1out h ASP 101 Cb 0.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1out h ASP 101 CO 0.00 0.08 0.06 0.78 -2.88 0.00 0.00 179.24 177.27 1out h ASN 102 N 0.00 0.20 0.37 2.28 2.35 -1.58 -1.22 115.58 117.98 1out h ASN 102 Ca -0.00 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1out h ASN 102 Cb 0.50 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1out h ASN 102 CO 0.01 0.19 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.34 1out h PHE 103 N 0.23 0.01 -0.21 1.19 0.04 -1.38 -2.30 116.94 114.52 1out h PHE 103 Ca 0.06 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1out h PHE 103 Cb 0.06 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1out h PHE 103 CO 0.00 0.39 -0.10 -0.09 -0.60 0.00 0.00 178.31 177.91 1out h ARG 104 N 0.01 0.44 0.00 1.51 2.43 -1.29 -2.25 114.38 115.23 1out h ARG 104 Ca -0.00 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1out h ARG 104 Cb 0.68 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1out h ARG 104 CO 0.05 0.72 -0.37 -0.39 -1.51 0.00 0.00 179.97 178.47 1out h VAL 105 N 0.14 0.97 -0.44 0.20 -1.51 -1.37 -2.13 116.25 112.10 1out h VAL 105 Ca 0.05 -1.42 -0.06 0.00 -1.23 0.00 0.00 66.70 64.04 1out h VAL 105 Cb 0.59 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1out h VAL 105 CO 0.03 0.36 0.06 0.25 -1.23 0.00 0.00 177.57 177.04 1out h LEU 106 N 0.00 0.72 -0.82 4.19 6.46 -1.38 -0.67 115.31 123.81 1out h LEU 106 Ca -0.00 -0.27 0.03 0.00 -0.12 0.00 0.00 57.88 57.52 1out h LEU 106 Cb 0.81 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 1out h LEU 106 CO 0.05 0.81 0.52 0.00 -0.62 0.00 0.00 178.44 179.20 1out h ALA 107 N 0.94 1.08 -0.29 1.25 0.00 -1.10 0.95 119.26 122.08 1out h ALA 107 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1out h ALA 107 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1out h ALA 107 CO 0.01 0.35 0.06 -0.44 0.00 0.00 0.00 179.25 179.23 1out h ASP 108 N 1.02 0.45 -0.52 0.00 3.32 -1.12 -1.95 116.42 117.62 1out h ASP 108 Ca 0.33 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1out h ASP 108 Cb 0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1out h ASP 108 CO -0.11 0.58 -0.02 0.58 -1.72 0.00 0.00 179.24 178.55 1out h VAL 109 N 0.30 1.26 -0.34 -1.35 2.07 -0.83 -1.09 116.25 116.27 1out h VAL 109 Ca 0.09 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.53 1out h VAL 109 Cb 0.32 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1out h VAL 109 CO 0.00 0.40 0.12 0.25 0.02 0.00 0.00 177.57 178.36 1out h LEU 110 N 0.80 0.12 -0.81 2.57 6.46 -0.80 -0.67 115.31 122.98 1out h LEU 110 Ca 0.15 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.03 1out h LEU 110 Cb 0.55 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.44 1out h LEU 110 CO 0.03 0.11 0.47 0.74 -0.62 0.00 0.00 178.44 179.17 1out h THR 111 N 0.26 0.95 -0.63 1.05 2.02 -1.18 0.11 112.91 115.48 1out h THR 111 Ca 0.15 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 1out h THR 111 Cb 0.13 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1out h THR 111 CO -0.16 0.15 0.13 0.40 0.37 0.00 0.00 175.52 176.40 1out h ILE 112 N 0.82 1.25 -0.27 3.11 2.04 -0.01 -0.81 117.51 123.65 1out h ILE 112 Ca 0.38 -0.96 -0.11 0.00 1.00 0.00 0.00 64.86 65.17 1out h ILE 112 Cb 0.30 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1out h ILE 112 CO -0.22 0.36 -0.25 0.58 0.00 0.00 0.00 178.15 178.62 1out h VAL 113 N 0.96 1.31 -0.15 1.67 2.07 -0.56 -2.04 116.25 119.51 1out h VAL 113 Ca 0.20 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1out h VAL 113 Cb 0.38 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1out h VAL 113 CO 0.01 0.44 0.03 0.40 0.02 0.00 0.00 177.57 178.47 1out h ILE 114 N 0.37 0.94 -0.68 4.57 2.04 -0.69 0.33 117.51 124.39 1out h ILE 114 Ca 0.05 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1out h ILE 114 Cb 0.80 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 1out h ILE 114 CO 0.06 0.02 0.33 0.00 0.00 0.00 0.00 178.15 178.55 1out h ALA 115 N 1.11 0.92 -0.94 1.87 0.00 -1.06 0.47 119.26 121.62 1out h ALA 115 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1out h ALA 115 Cb 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1out h ALA 115 CO -0.09 -0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.68 1out h ALA 116 N 1.41 1.19 0.05 0.00 0.00 -0.73 0.28 119.26 121.46 1out h ALA 116 Ca 0.33 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1out h ALA 116 Cb 0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1out h ALA 116 CO -0.26 0.63 -1.17 0.87 0.00 0.00 0.00 179.25 179.31 1out h LYS 117 N 1.29 0.11 0.00 0.00 1.79 0.47 -3.33 116.57 116.89 1out h LYS 117 Ca 0.34 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1out h LYS 117 Cb -0.09 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1out h LYS 117 CO -0.07 1.04 -1.00 0.74 -1.08 0.00 0.00 179.45 179.09 1out h PHE 118 N 0.03 0.00 0.00 -1.35 -1.00 0.07 -3.50 116.94 111.19 1out h PHE 118 Ca -0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.69 1out h PHE 118 Cb 1.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.43 1out h PHE 118 CO 0.03 0.27 0.00 0.41 -1.61 0.00 0.00 178.31 177.40 1out n GLY 119 N 1.26 1.47 0.36 -1.45 0.00 0.97 -2.90 105.19 104.89 1out n GLY 119 Ca -0.03 -0.57 0.16 0.00 0.00 0.00 0.00 46.02 45.58 1out n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1out h ALA 120 N -0.92 1.75 0.00 4.61 0.00 -1.96 0.51 119.26 123.25 1out h ALA 120 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1out h ALA 120 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1out h ALA 120 CO 0.00 -0.58 0.00 -1.13 0.00 0.00 0.00 179.25 177.54 1out n SER 121 N -3.16 0.54 -4.44 0.00 3.41 -1.14 -3.69 113.62 105.14 1out n SER 121 Ca 0.03 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.83 1out n SER 121 Cb 0.58 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1out n SER 121 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1out n PHE 122 N -2.09 4.68 -1.30 7.33 7.35 0.18 -4.96 117.46 128.64 1out n PHE 122 Ca 0.03 -3.12 -0.31 0.00 -0.76 0.00 0.00 57.45 53.29 1out n PHE 122 Cb 0.23 -2.36 0.10 0.00 0.35 0.00 0.00 39.48 37.80 1out n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1out s THR 123 N 2.55 3.26 0.36 -2.13 -4.23 -1.24 -4.76 115.64 109.44 1out s THR 123 Ca 0.47 0.41 0.09 0.00 -1.18 0.00 0.00 61.69 61.48 1out s THR 123 Cb 0.01 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.23 1out s THR 123 CO 0.03 -0.53 1.88 -0.65 -0.54 0.00 0.00 174.62 174.80 1out h PRO 124 N -1.17 0.67 -0.28 3.99 0.11 -1.94 0.39 132.00 133.78 1out h PRO 124 Ca -0.45 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 1out h PRO 124 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1out h PRO 124 CO 0.53 0.44 -0.43 0.93 -0.21 0.00 0.00 178.00 179.27 1out h GLU 125 N 0.69 0.70 -0.21 1.05 3.07 -1.99 0.50 114.58 118.40 1out h GLU 125 Ca 0.43 -0.38 -0.16 0.00 -0.50 0.00 0.00 59.36 58.76 1out h GLU 125 Cb 0.68 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1out h GLU 125 CO -0.19 0.99 -0.49 0.82 -1.40 0.00 0.00 179.01 178.74 1out h ILE 126 N 0.57 1.31 -0.64 3.13 2.04 -0.89 -2.51 117.51 120.52 1out h ILE 126 Ca 0.04 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 1out h ILE 126 Cb 0.97 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 1out h ILE 126 CO 0.09 0.54 0.37 -0.61 0.00 0.00 0.00 178.15 178.54 1out h GLN 127 N 0.40 0.87 -0.80 2.37 4.15 -0.28 0.25 115.11 122.06 1out h GLN 127 Ca -0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1out h GLN 127 Cb 1.10 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1out h GLN 127 CO 0.11 0.62 0.35 0.00 -1.93 0.00 0.00 178.83 177.98 1out h ALA 128 N 1.53 1.04 -0.11 3.38 0.00 -0.80 0.78 119.26 125.08 1out h ALA 128 Ca 0.23 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1out h ALA 128 Cb -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1out h ALA 128 CO -0.04 0.64 -0.80 1.15 0.00 0.00 0.00 179.25 180.20 1out h THR 129 N 1.15 1.31 -0.55 0.00 2.02 -0.84 -2.15 112.91 113.86 1out h THR 129 Ca 0.27 -2.07 0.01 0.00 0.77 0.00 0.00 66.41 65.39 1out h THR 129 Cb 0.17 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 1out h THR 129 CO -0.03 0.64 0.36 -0.25 0.37 0.00 0.00 175.52 176.62 1out h TRP 130 N 0.44 0.69 0.00 3.16 2.91 -0.30 -2.23 115.95 120.63 1out h TRP 130 Ca -0.06 0.02 -0.15 0.00 1.13 0.00 0.00 58.89 59.83 1out h TRP 130 Cb 1.42 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 29.81 1out h TRP 130 CO 0.08 0.44 -0.71 0.37 -1.03 0.00 0.00 178.44 177.58 1out h GLN 131 N 0.74 0.00 -0.36 2.65 5.75 -0.68 0.14 115.11 123.35 1out h GLN 131 Ca 0.20 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1out h GLN 131 Cb -0.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1out h GLN 131 CO -0.04 0.71 -0.17 -0.22 -2.65 0.00 0.00 178.83 176.46 1out h LYS 132 N 0.00 0.74 -0.15 1.69 3.64 -0.94 -1.67 116.57 119.88 1out h LYS 132 Ca -0.01 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1out h LYS 132 Cb 1.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1out h LYS 132 CO 0.09 0.93 0.06 0.35 -2.27 0.00 0.00 179.45 178.61 1out h PHE 133 N 0.53 0.24 -0.52 1.91 3.57 -1.22 -2.53 116.94 118.91 1out h PHE 133 Ca 0.08 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1out h PHE 133 Cb 0.71 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 1out h PHE 133 CO 0.06 0.32 0.15 0.52 -2.23 0.00 0.00 178.31 177.13 1out h MET 134 N 0.08 0.29 -0.90 1.11 2.86 -0.64 -0.43 114.93 117.31 1out h MET 134 Ca 0.05 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1out h MET 134 Cb 0.19 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1out h MET 134 CO -0.00 0.19 0.59 0.87 1.06 0.00 0.00 176.91 179.62 1out h LYS 135 N 0.30 1.04 -0.27 1.72 1.57 -1.06 0.31 116.57 120.18 1out h LYS 135 Ca 0.26 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1out h LYS 135 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1out h LYS 135 CO -0.30 0.68 -0.22 0.28 -0.57 0.00 0.00 179.45 179.33 1out h VAL 136 N 1.07 1.31 -0.21 0.50 2.07 -0.94 -2.24 116.25 117.81 1out h VAL 136 Ca 0.37 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1out h VAL 136 Cb 0.12 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1out h VAL 136 CO -0.13 0.43 0.13 0.58 0.02 0.00 0.00 177.57 178.60 1out h VAL 137 N 0.35 1.04 -0.44 2.57 2.07 -0.15 0.19 116.25 121.87 1out h VAL 137 Ca 0.05 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1out h VAL 137 Cb 0.77 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1out h VAL 137 CO 0.06 0.05 0.23 0.58 0.02 0.00 0.00 177.57 178.51 1out h VAL 138 N 0.26 0.99 -0.91 2.57 2.07 -0.47 0.45 116.25 121.22 1out h VAL 138 Ca 0.08 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1out h VAL 138 Cb -0.02 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1out h VAL 138 CO -0.03 0.09 0.49 0.00 0.02 0.00 0.00 177.57 178.14 1out h ALA 139 N 1.22 1.16 -0.46 1.67 0.00 -1.00 -1.12 119.26 120.74 1out h ALA 139 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1out h ALA 139 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1out h ALA 139 CO -0.12 0.67 0.05 0.00 0.00 0.00 0.00 179.25 179.85 1out h ALA 140 N 1.27 0.61 0.00 0.00 0.00 -0.20 -2.26 119.26 118.69 1out h ALA 140 Ca 0.32 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1out h ALA 140 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1out h ALA 140 CO -0.05 0.36 -0.24 0.52 0.00 0.00 0.00 179.25 179.84 1out h MET 141 N 0.63 0.00 -0.70 0.00 2.86 -0.55 -2.87 114.93 114.30 1out h MET 141 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1out h MET 141 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1out h MET 141 CO 0.01 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.63 1out n GLY 142 N -0.79 2.41 0.24 8.32 0.00 -0.46 -4.50 105.19 110.42 1out n GLY 142 Ca -0.02 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.35 1out n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1out h SER 143 N 4.14 0.00 -0.50 1.61 4.64 -1.18 -3.23 113.55 119.03 1out h SER 143 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1out h SER 143 Cb 1.07 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.07 1out h SER 143 CO 0.06 0.00 0.11 0.54 -0.87 0.00 0.00 176.83 176.67 1out n ARG 144 N -3.08 2.97 -2.85 4.77 5.12 -1.26 -4.91 116.66 117.42 1out n ARG 144 Ca 0.03 -3.03 -0.43 0.00 -1.93 0.00 0.00 57.85 52.48 1out n ARG 144 Cb 0.43 -2.00 -0.04 0.00 -1.16 0.00 0.00 32.46 29.68 1out n ARG 144 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1out s TYR 145 N -3.02 2.88 0.00 -1.55 1.51 -1.22 -4.73 117.35 111.22 1out s TYR 145 Ca 0.49 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1out s TYR 145 Cb 0.40 -3.96 0.00 0.00 -0.11 0.00 0.00 41.96 38.29 1out s TYR 145 CO 0.09 -1.18 0.39 1.19 -1.11 0.00 0.00 175.55 174.92