#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gli s HIS 2 N 0.00 2.83 -0.02 1.12 5.65 -1.26 -4.73 115.29 118.87 1gli s HIS 2 Ca 0.00 -2.37 0.03 0.00 0.25 0.00 0.00 55.06 52.97 1gli s HIS 2 Cb 0.00 -2.30 -0.03 0.00 -1.18 0.00 0.00 32.58 29.07 1gli s HIS 2 CO 0.00 -0.90 -0.10 -0.51 -0.65 0.00 0.00 174.74 172.58 1gli s LEU 3 N 1.23 2.99 0.70 8.88 1.43 -1.26 -5.11 118.68 127.53 1gli s LEU 3 Ca 0.08 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1gli s LEU 3 Cb -0.18 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1gli s LEU 3 CO -0.14 0.31 1.10 0.42 0.23 0.00 0.00 176.35 178.28 1gli s THR 4 N -0.88 3.29 0.54 5.49 -4.23 -1.26 -4.77 115.64 113.82 1gli s THR 4 Ca 0.14 0.53 0.32 0.00 -1.18 0.00 0.00 61.69 61.51 1gli s THR 4 Cb -0.11 -3.05 0.36 0.00 1.34 0.00 0.00 72.50 71.04 1gli s THR 4 CO 0.04 -0.43 2.22 1.55 -0.54 0.00 0.00 174.62 177.46 1gli h PRO 5 N -0.35 0.00 0.00 3.99 0.13 -1.99 0.56 132.00 134.33 1gli h PRO 5 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1gli h PRO 5 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1gli h PRO 5 CO 0.53 0.03 -0.87 1.05 -0.23 0.00 0.00 178.00 178.52 1gli h GLU 6 N 0.00 0.00 -0.18 0.86 9.09 -1.99 -1.10 114.58 121.27 1gli h GLU 6 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 1gli h GLU 6 Cb 0.11 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.22 1gli h GLU 6 CO 0.00 0.86 -0.68 0.93 0.05 0.00 0.00 179.01 180.18 1gli h GLU 7 N 0.00 0.77 -0.66 1.06 5.08 -1.35 -2.25 114.58 117.23 1gli h GLU 7 Ca -0.01 -0.59 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 1gli h GLU 7 Cb 1.67 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.00 1gli h GLU 7 CO 0.11 1.21 0.20 -0.22 -1.00 0.00 0.00 179.01 179.31 1gli h LYS 8 N 0.50 1.02 0.00 2.33 3.64 -0.91 -1.32 116.57 121.83 1gli h LYS 8 Ca -0.03 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1gli h LYS 8 Cb 1.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1gli h LYS 8 CO 0.14 0.90 -0.42 0.66 -2.27 0.00 0.00 179.45 178.46 1gli h SER 9 N 0.95 0.00 -0.45 4.20 4.64 -1.21 -1.66 113.55 120.02 1gli h SER 9 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1gli h SER 9 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1gli h SER 9 CO -0.01 0.42 -0.08 0.00 -0.87 0.00 0.00 176.83 176.29 1gli h ALA 10 N 1.58 0.62 -0.18 5.18 0.00 -0.80 -1.54 119.26 124.11 1gli h ALA 10 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1gli h ALA 10 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1gli h ALA 10 CO 0.05 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.05 1gli h VAL 11 N 0.69 1.28 -0.47 0.00 2.07 -0.96 -2.91 116.25 115.95 1gli h VAL 11 Ca 0.12 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1gli h VAL 11 Cb 0.62 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1gli h VAL 11 CO 0.04 0.29 0.30 0.74 0.02 0.00 0.00 177.57 178.96 1gli h THR 12 N 0.06 1.13 -0.27 2.57 2.02 -1.31 -1.81 112.91 115.29 1gli h THR 12 Ca 0.05 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1gli h THR 12 Cb 0.44 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1gli h THR 12 CO 0.01 0.12 0.09 0.00 0.37 0.00 0.00 175.52 176.12 1gli h ALA 13 N 1.16 0.36 -0.39 6.16 0.00 -1.26 -2.42 119.26 122.86 1gli h ALA 13 Ca 0.17 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1gli h ALA 13 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1gli h ALA 13 CO -0.04 -0.02 -0.18 1.25 0.00 0.00 0.00 179.25 180.26 1gli h LEU 14 N 0.28 0.75 -1.06 0.00 7.12 -1.44 -2.82 115.31 118.15 1gli h LEU 14 Ca 0.09 -0.25 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 1gli h LEU 14 Cb 0.23 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.14 1gli h LEU 14 CO -0.00 0.93 -0.28 -0.25 -0.13 0.00 0.00 178.44 178.71 1gli h TRP 15 N 0.66 0.00 0.00 1.25 2.91 -1.02 -1.80 115.95 117.95 1gli h TRP 15 Ca 0.10 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1gli h TRP 15 Cb 0.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1gli h TRP 15 CO 0.03 0.28 0.00 0.41 -1.03 0.00 0.00 178.44 178.13 1gli n GLY 16 N 0.16 -1.11 0.89 2.65 0.00 -0.94 -1.48 105.19 105.35 1gli n GLY 16 Ca -0.00 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1gli n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gli n LYS 17 N -2.28 2.07 -3.09 1.61 5.02 -0.68 -4.95 118.16 115.86 1gli n LYS 17 Ca 0.00 -1.82 -0.39 0.00 -2.02 0.00 0.00 58.31 54.08 1gli n LYS 17 Cb 0.15 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1gli n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gli s VAL 18 N -1.84 5.07 -0.62 -0.18 1.01 -0.55 -5.00 120.40 118.28 1gli s VAL 18 Ca 0.26 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.34 1gli s VAL 18 Cb 0.18 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1gli s VAL 18 CO 0.28 0.26 1.14 0.21 0.00 0.00 0.00 175.10 176.98 1gli s ASN 19 N 0.78 6.32 0.29 3.32 3.84 -1.26 -4.91 114.94 123.32 1gli s ASN 19 Ca 0.36 -0.26 -0.02 0.00 0.21 0.00 0.00 52.86 53.14 1gli s ASN 19 Cb -0.17 -2.51 0.42 0.00 -0.55 0.00 0.00 41.25 38.43 1gli s ASN 19 CO 0.17 -1.52 1.94 0.58 -2.79 0.00 0.00 177.10 175.49 1gli h VAL 20 N 6.07 1.22 -0.27 -5.21 2.07 -1.94 -0.60 116.25 117.58 1gli h VAL 20 Ca -0.26 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1gli h VAL 20 Cb 1.06 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1gli h VAL 20 CO 1.19 0.22 0.05 0.44 0.02 0.00 0.00 177.57 179.49 1gli h ASP 21 N 1.10 0.42 -0.18 0.57 5.19 -1.90 -0.65 116.42 120.97 1gli h ASP 21 Ca 0.29 -0.26 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 1gli h ASP 21 Cb -0.07 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 1gli h ASP 21 CO -0.06 0.57 -0.10 -0.08 -3.12 0.00 0.00 179.24 176.46 1gli h GLU 22 N 0.26 0.38 -0.09 3.56 4.81 -1.85 -2.11 114.58 119.54 1gli h GLU 22 Ca 0.08 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 1gli h GLU 22 Cb 0.33 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1gli h GLU 22 CO 0.00 0.69 -0.43 0.28 -0.73 0.00 0.00 179.01 178.83 1gli h VAL 23 N 0.06 1.32 -0.10 0.32 2.07 -1.15 -1.83 116.25 116.95 1gli h VAL 23 Ca 0.04 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1gli h VAL 23 Cb 0.58 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1gli h VAL 23 CO 0.03 0.46 0.03 1.23 0.02 0.00 0.00 177.57 179.34 1gli h GLY 24 N 1.26 0.17 1.39 2.17 0.00 -1.02 0.05 103.07 107.10 1gli h GLY 24 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1gli h GLY 24 CO 0.07 0.10 0.17 -1.33 0.00 0.00 0.00 176.54 175.54 1gli h GLY 25 N -0.04 0.84 1.03 4.60 0.00 -1.23 -1.44 103.07 106.83 1gli h GLY 25 Ca 0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 1gli h GLY 25 CO -0.00 0.42 -0.57 -2.09 0.00 0.00 0.00 176.54 174.30 1gli h GLU 26 N 0.77 0.69 -0.38 4.80 4.81 -1.04 -1.64 114.58 122.59 1gli h GLU 26 Ca 0.18 -0.51 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 1gli h GLU 26 Cb 0.22 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1gli h GLU 26 CO -0.01 1.13 -0.22 0.00 -0.73 0.00 0.00 179.01 179.18 1gli h ALA 27 N 0.56 0.54 -0.29 2.92 0.00 -0.73 -0.30 119.26 121.95 1gli h ALA 27 Ca -0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1gli h ALA 27 Cb 1.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1gli h ALA 27 CO 0.12 0.51 -0.39 1.25 0.00 0.00 0.00 179.25 180.74 1gli h LEU 28 N 0.62 0.74 -0.41 0.00 5.85 -1.30 -1.17 115.31 119.63 1gli h LEU 28 Ca 0.08 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1gli h LEU 28 Cb 0.78 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1gli h LEU 28 CO 0.06 1.04 0.03 1.23 -0.34 0.00 0.00 178.44 180.47 1gli h GLY 29 N 0.97 0.76 1.88 3.75 0.00 -1.10 -2.09 103.07 107.24 1gli h GLY 29 Ca 0.05 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1gli h GLY 29 CO 0.08 0.50 -0.44 3.21 0.00 0.00 0.00 176.54 179.89 1gli h ARG 30 N 0.55 0.13 -0.69 4.80 3.08 -0.94 -1.34 114.38 119.97 1gli h ARG 30 Ca 0.12 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1gli h ARG 30 Cb 0.43 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1gli h ARG 30 CO 0.01 0.55 0.45 1.25 -1.07 0.00 0.00 179.97 181.16 1gli h LEU 31 N 0.11 0.76 -0.87 3.04 5.85 -0.84 0.12 115.31 123.47 1gli h LEU 31 Ca 0.01 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1gli h LEU 31 Cb 0.83 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1gli h LEU 31 CO 0.06 0.54 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.43 1gli h LEU 32 N 0.90 0.00 0.08 2.25 4.07 -0.71 -1.56 115.31 120.34 1gli h LEU 32 Ca 0.26 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.93 1gli h LEU 32 Cb -0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1gli h LEU 32 CO -0.08 0.20 -1.56 0.58 -1.08 0.00 0.00 178.44 176.51 1gli h VAL 33 N 0.00 0.85 0.07 1.22 2.07 -0.69 -3.31 116.25 116.46 1gli h VAL 33 Ca -0.00 -2.30 -0.24 0.00 0.82 0.00 0.00 66.70 64.98 1gli h VAL 33 Cb 0.83 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1gli h VAL 33 CO 0.03 0.63 -1.12 0.58 0.02 0.00 0.00 177.57 177.71 1gli h VAL 34 N -0.42 1.58 -2.66 2.57 2.07 -0.80 -3.37 116.25 115.22 1gli h VAL 34 Ca -0.36 -3.16 -0.61 0.00 0.82 0.00 0.00 66.70 63.39 1gli h VAL 34 Cb 1.69 2.87 -0.41 0.00 -1.52 0.00 0.00 31.29 33.92 1gli h VAL 34 CO -0.03 0.92 -0.66 -1.22 0.02 0.00 0.00 177.57 176.59 1gli n TYR 35 N -3.48 2.61 0.28 1.57 4.01 -0.59 -4.98 117.16 116.59 1gli n TYR 35 Ca -0.05 -4.09 0.12 0.00 -0.16 0.00 0.00 57.90 53.71 1gli n TYR 35 Cb 0.98 -0.48 0.54 0.00 -0.31 0.00 0.00 39.34 40.07 1gli n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1gli n PRO 36 N 1.70 0.17 0.16 -0.72 -0.04 -1.25 -1.30 135.00 133.72 1gli n PRO 36 Ca 0.24 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.36 1gli n PRO 36 Cb 0.40 -1.92 0.52 0.00 -0.04 0.00 0.00 33.50 32.46 1gli n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1gli h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.72 115.95 112.95 1gli h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1gli h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1gli h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1gli n THR 38 N -2.41 0.73 0.36 0.12 -2.24 -0.42 -2.58 114.28 107.85 1gli n THR 38 Ca 0.02 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1gli n THR 38 Cb 0.26 -0.87 0.51 0.00 -2.10 0.00 0.00 70.33 68.13 1gli n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gli n GLN 39 N -1.53 0.19 -0.09 -0.78 6.02 -0.65 -3.27 117.38 117.27 1gli n GLN 39 Ca 0.04 0.46 0.26 0.00 -0.01 0.00 0.00 57.00 57.75 1gli n GLN 39 Cb 0.22 -1.89 0.70 0.00 1.02 0.00 0.00 30.24 30.28 1gli n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1gli h ARG 40 N 0.00 0.00 -0.01 -1.09 2.43 -1.71 -0.33 114.38 113.67 1gli h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gli h ARG 40 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gli h ARG 40 CO 0.00 0.00 -0.30 1.19 -1.51 0.00 0.00 179.97 179.35 1gli n PHE 41 N -3.84 0.00 -2.08 2.20 3.72 -1.20 -4.49 117.46 111.77 1gli n PHE 41 Ca 0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.53 1gli n PHE 41 Cb 0.95 -0.05 0.10 0.00 -0.94 0.00 0.00 39.48 39.54 1gli n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1gli n PHE 42 N -0.13 0.83 1.37 1.38 3.72 -0.13 -4.77 117.46 119.72 1gli n PHE 42 Ca 0.12 -1.53 0.15 0.00 -0.05 0.00 0.00 57.45 56.14 1gli n PHE 42 Cb 0.42 -0.25 0.73 0.00 -0.94 0.00 0.00 39.48 39.44 1gli n PHE 42 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1gli n GLU 43 N -0.58 0.40 0.00 -1.08 0.28 -1.25 -1.44 120.64 116.97 1gli n GLU 43 Ca 0.20 -0.02 0.09 0.00 -0.16 0.00 0.00 57.16 57.28 1gli n GLU 43 Cb 0.88 -1.50 0.44 0.00 1.43 0.00 0.00 31.44 32.68 1gli n GLU 43 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1gli n SER 44 N -1.29 0.00 -0.34 -1.84 2.88 -1.26 -3.79 113.62 107.98 1gli n SER 44 Ca 0.13 0.28 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 1gli n SER 44 Cb 0.26 -0.40 0.33 0.00 -0.75 0.00 0.00 64.21 63.65 1gli n SER 44 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1gli n PHE 45 N -1.40 0.00 0.00 0.66 3.01 -0.52 -5.05 117.46 114.16 1gli n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1gli n PHE 45 Cb 0.19 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1gli n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gli n GLY 46 N 1.33 0.80 3.61 1.37 0.00 -1.25 -4.77 105.19 106.28 1gli n GLY 46 Ca 0.13 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1gli n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gli s ASP 47 N -4.00 6.71 -0.12 1.61 2.15 -1.26 -4.87 116.67 116.89 1gli s ASP 47 Ca 0.00 0.65 0.14 0.00 0.43 0.00 0.00 52.55 53.77 1gli s ASP 47 Cb 0.00 -2.46 0.31 0.00 -0.30 0.00 0.00 42.92 40.46 1gli s ASP 47 CO 0.00 -0.82 1.15 0.18 -0.17 0.00 0.00 175.17 175.51 1gli n LEU 48 N 6.70 1.94 0.06 -1.34 4.77 -1.26 -4.22 117.00 123.64 1gli n LEU 48 Ca 0.07 -2.90 -0.07 0.00 -0.03 0.00 0.00 56.01 53.08 1gli n LEU 48 Cb 0.48 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1gli n LEU 48 CO 0.57 0.84 0.13 0.77 -1.33 0.00 0.00 177.39 178.37 1gli h SER 49 N 0.45 0.00 -3.46 -1.43 4.64 -1.93 -3.45 113.55 108.38 1gli h SER 49 Ca -0.03 -0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.87 1gli h SER 49 Cb 1.18 -0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1gli h SER 49 CO 0.01 1.00 -0.73 0.42 -0.87 0.00 0.00 176.83 176.66 1gli s THR 50 N -2.71 1.57 0.26 2.95 -4.23 -1.26 -5.03 115.64 107.20 1gli s THR 50 Ca 0.01 -2.14 -0.01 0.00 -1.18 0.00 0.00 61.69 58.37 1gli s THR 50 Cb 0.10 -1.96 0.27 0.00 1.34 0.00 0.00 72.50 72.25 1gli s THR 50 CO 0.82 -0.62 1.68 -0.65 -0.54 0.00 0.00 174.62 175.31 1gli h PRO 51 N 2.69 0.28 -0.26 3.99 0.11 -1.98 -0.48 132.00 136.35 1gli h PRO 51 Ca -0.38 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.59 1gli h PRO 51 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1gli h PRO 51 CO 0.61 0.18 -0.35 -0.44 -0.21 0.00 0.00 178.00 177.80 1gli h ASP 52 N 0.29 0.59 -0.49 -2.05 3.32 -1.99 -0.60 116.42 115.50 1gli h ASP 52 Ca 0.48 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1gli h ASP 52 Cb 0.87 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1gli h ASP 52 CO -0.55 0.89 0.00 0.00 -1.72 0.00 0.00 179.24 177.87 1gli h ALA 53 N 1.14 0.66 -0.20 3.45 0.00 -1.61 -1.84 119.26 120.85 1gli h ALA 53 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1gli h ALA 53 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1gli h ALA 53 CO 0.07 0.46 0.02 0.28 0.00 0.00 0.00 179.25 180.09 1gli h VAL 54 N 0.72 1.23 0.00 0.00 2.07 -0.82 -1.65 116.25 117.80 1gli h VAL 54 Ca 0.14 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1gli h VAL 54 Cb 0.51 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1gli h VAL 54 CO 0.02 0.24 -0.26 0.24 0.02 0.00 0.00 177.57 177.83 1gli h MET 55 N 0.12 0.00 -0.02 1.57 2.07 -1.03 -2.52 114.93 115.12 1gli h MET 55 Ca 0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 1gli h MET 55 Cb 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.07 1gli h MET 55 CO 0.01 0.26 -0.25 0.41 1.07 0.00 0.00 176.91 178.40 1gli n GLY 56 N 0.02 0.27 3.67 8.32 0.00 -0.70 -4.90 105.19 111.86 1gli n GLY 56 Ca -0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1gli n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gli s ASN 57 N -2.28 6.86 0.39 1.61 3.84 -0.63 -4.90 114.94 119.82 1gli s ASN 57 Ca 0.24 1.98 0.14 0.00 0.21 0.00 0.00 52.86 55.42 1gli s ASN 57 Cb 0.19 -2.55 0.79 0.00 -0.55 0.00 0.00 41.25 39.14 1gli s ASN 57 CO 0.46 -0.77 1.86 1.55 -2.79 0.00 0.00 177.10 177.41 1gli h PRO 58 N 8.33 0.00 -0.11 0.43 0.13 -1.90 -1.85 132.00 137.03 1gli h PRO 58 Ca -0.34 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.62 1gli h PRO 58 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1gli h PRO 58 CO 0.93 0.33 -0.66 0.87 -0.23 0.00 0.00 178.00 179.25 1gli h LYS 59 N 0.00 0.42 -0.45 0.86 1.57 -1.90 -0.59 116.57 116.47 1gli h LYS 59 Ca -0.00 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1gli h LYS 59 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1gli h LYS 59 CO 0.04 0.93 0.09 0.28 -0.57 0.00 0.00 179.45 180.23 1gli h VAL 60 N 0.30 1.24 -0.62 0.50 2.07 -1.74 -0.83 116.25 117.17 1gli h VAL 60 Ca -0.02 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1gli h VAL 60 Cb 1.21 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1gli h VAL 60 CO 0.11 0.30 0.27 0.11 0.02 0.00 0.00 177.57 178.38 1gli h LYS 61 N 0.60 0.91 -0.64 1.57 1.57 -1.17 0.08 116.57 119.49 1gli h LYS 61 Ca 0.14 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1gli h LYS 61 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1gli h LYS 61 CO 0.00 0.75 0.10 0.00 -0.57 0.00 0.00 179.45 179.74 1gli h ALA 62 N 1.11 0.85 -0.09 3.86 0.00 -0.92 -1.62 119.26 122.45 1gli h ALA 62 Ca 0.21 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1gli h ALA 62 Cb 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1gli h ALA 62 CO -0.02 0.61 -0.74 1.25 0.00 0.00 0.00 179.25 180.36 1gli h HIS 63 N 0.98 0.64 -0.72 0.00 -0.00 -0.88 -2.41 115.15 112.75 1gli h HIS 63 Ca 0.19 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1gli h HIS 63 Cb 0.44 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.71 1gli h HIS 63 CO 0.03 1.05 0.45 0.78 -0.00 0.00 0.00 177.93 180.24 1gli h GLY 64 N 1.15 1.02 1.47 5.26 0.00 -0.68 -0.16 103.07 111.14 1gli h GLY 64 Ca -0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 1gli h GLY 64 CO 0.13 0.39 -0.45 1.70 0.00 0.00 0.00 176.54 178.32 1gli h LYS 65 N 0.98 0.57 -0.31 4.80 3.64 -1.06 -1.48 116.57 123.72 1gli h LYS 65 Ca 0.26 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1gli h LYS 65 Cb -0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1gli h LYS 65 CO -0.05 0.91 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.54 1gli h LYS 66 N 0.46 0.73 -0.20 1.90 3.64 -0.78 -1.54 116.57 120.79 1gli h LYS 66 Ca 0.03 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1gli h LYS 66 Cb 0.97 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1gli h LYS 66 CO 0.09 0.99 -0.01 0.28 -2.27 0.00 0.00 179.45 178.53 1gli h VAL 67 N 0.49 1.26 0.00 2.00 2.07 -0.98 -2.65 116.25 118.43 1gli h VAL 67 Ca 0.05 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1gli h VAL 67 Cb 0.84 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1gli h VAL 67 CO 0.07 0.27 -0.32 0.25 0.02 0.00 0.00 177.57 177.86 1gli h LEU 68 N 0.10 0.00 -0.42 2.57 6.46 -1.26 -1.24 115.31 121.52 1gli h LEU 68 Ca 0.06 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 1gli h LEU 68 Cb 0.40 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1gli h LEU 68 CO 0.01 0.32 -0.09 1.23 -0.62 0.00 0.00 178.44 179.29 1gli h GLY 69 N 2.37 0.87 1.53 3.75 0.00 -1.17 0.18 103.07 110.59 1gli h GLY 69 Ca -0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.50 1gli h GLY 69 CO 0.04 0.65 -0.33 0.00 0.00 0.00 0.00 176.54 176.90 1gli h ALA 70 N 0.86 0.96 -0.55 3.60 0.00 -1.11 -1.76 119.26 121.27 1gli h ALA 70 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1gli h ALA 70 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1gli h ALA 70 CO 0.04 0.61 0.23 0.35 0.00 0.00 0.00 179.25 180.48 1gli h PHE 71 N 0.45 0.82 -0.38 0.00 3.04 -0.90 -2.30 116.94 117.68 1gli h PHE 71 Ca 0.05 -0.06 0.04 0.00 3.98 0.00 0.00 57.97 61.99 1gli h PHE 71 Cb 0.80 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 1gli h PHE 71 CO 0.03 0.66 0.14 1.03 -2.02 0.00 0.00 178.31 178.15 1gli h SER 72 N 0.74 0.16 0.35 0.41 0.87 -0.24 -0.90 113.55 114.95 1gli h SER 72 Ca 0.18 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1gli h SER 72 Cb 0.17 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1gli h SER 72 CO -0.02 0.13 -0.17 0.44 -0.53 0.00 0.00 176.83 176.68 1gli h ASP 73 N 0.30 0.00 1.38 6.23 3.32 -1.09 -0.91 116.42 125.65 1gli h ASP 73 Ca 0.17 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1gli h ASP 73 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1gli h ASP 73 CO -0.17 0.17 -0.17 1.23 -1.72 0.00 0.00 179.24 178.58 1gli h GLY 74 N 0.87 0.00 2.00 2.75 0.00 -0.60 -2.82 103.07 105.27 1gli h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gli h GLY 74 CO 0.02 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.97 1gli h LEU 75 N 0.00 0.00 -0.03 3.11 4.07 -0.80 -1.00 115.31 120.66 1gli h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1gli h LEU 75 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1gli h LEU 75 CO 0.02 0.00 -0.23 0.00 -1.08 0.00 0.00 178.44 177.15 1gli n ALA 76 N -1.96 2.91 -2.60 1.53 0.00 -1.06 -4.01 120.51 115.32 1gli n ALA 76 Ca 0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.11 1gli n ALA 76 Cb 0.25 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.43 1gli n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gli n HIS 77 N -1.44 1.77 0.28 0.00 8.25 -0.39 -4.87 115.22 118.82 1gli n HIS 77 Ca 0.07 -2.52 0.18 0.00 -0.26 0.00 0.00 57.72 55.19 1gli n HIS 77 Cb 0.33 -0.28 0.95 0.00 1.12 0.00 0.00 29.99 32.12 1gli n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1gli h LEU 78 N 2.68 0.00 -0.10 2.41 4.07 -1.67 0.18 115.31 122.87 1gli h LEU 78 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1gli h LEU 78 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1gli h LEU 78 CO 0.48 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.31 1gli n ASP 79 N -3.54 0.25 -2.74 -0.43 8.00 -1.26 -0.60 116.55 116.22 1gli n ASP 79 Ca -0.01 0.54 -0.08 0.00 0.71 0.00 0.00 54.79 55.94 1gli n ASP 79 Cb 0.20 -0.60 0.07 0.00 -0.02 0.00 0.00 41.12 40.77 1gli n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1gli n ASN 80 N -1.75 -2.58 -0.20 -2.24 5.15 0.04 -4.64 115.26 109.04 1gli n ASN 80 Ca 0.05 -3.45 -0.05 0.00 -0.60 0.00 0.00 54.58 50.53 1gli n ASN 80 Cb 0.29 1.86 0.11 0.00 -0.53 0.00 0.00 39.78 41.51 1gli n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1gli h LEU 81 N 3.47 0.95 -0.68 1.20 3.38 -1.71 -2.26 115.31 119.66 1gli h LEU 81 Ca -0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1gli h LEU 81 Cb 1.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1gli h LEU 81 CO 0.22 0.91 0.30 0.11 0.09 0.00 0.00 178.44 180.06 1gli h LYS 82 N 0.97 1.00 -0.42 1.13 1.57 -1.90 -0.20 116.57 118.70 1gli h LYS 82 Ca 0.21 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1gli h LYS 82 Cb 0.32 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1gli h LYS 82 CO -0.00 0.81 -0.21 0.78 -0.57 0.00 0.00 179.45 180.26 1gli h GLY 83 N 0.95 0.92 1.50 3.86 0.00 -1.93 -1.71 103.07 106.66 1gli h GLY 83 Ca 0.23 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1gli h GLY 83 CO -0.02 0.71 -0.18 -0.84 0.00 0.00 0.00 176.54 176.21 1gli h THR 84 N 0.74 1.25 -0.42 4.70 2.02 -0.80 -3.21 112.91 117.19 1gli h THR 84 Ca 0.10 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1gli h THR 84 Cb 0.74 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1gli h THR 84 CO 0.06 0.39 0.00 0.49 0.37 0.00 0.00 175.52 176.83 1gli n PHE 85 N -4.15 0.56 -0.20 3.16 3.72 -0.14 -4.63 117.46 115.77 1gli n PHE 85 Ca 0.00 -0.44 -0.03 0.00 -0.05 0.00 0.00 57.45 56.94 1gli n PHE 85 Cb 0.38 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.98 1gli n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gli h ALA 86 N 2.81 0.79 -0.34 4.37 0.00 -1.31 0.14 119.26 125.71 1gli h ALA 86 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1gli h ALA 86 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gli h ALA 86 CO 0.00 -0.02 -0.21 1.15 0.00 0.00 0.00 179.25 180.16 1gli h THR 87 N 0.59 1.29 -0.10 0.00 2.02 -1.84 -2.07 112.91 112.80 1gli h THR 87 Ca 0.27 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 1gli h THR 87 Cb 0.18 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1gli h THR 87 CO -0.18 0.44 -0.26 -0.07 0.37 0.00 0.00 175.52 175.82 1gli h LEU 88 N 0.53 0.18 -0.05 2.58 3.38 -1.78 -1.29 115.31 118.86 1gli h LEU 88 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gli h LEU 88 Cb 0.77 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1gli h LEU 88 CO 0.06 0.44 0.02 -1.28 0.09 0.00 0.00 178.44 177.78 1gli h SER 89 N 0.17 0.07 -0.63 -0.43 0.87 -0.38 -0.47 113.55 112.75 1gli h SER 89 Ca 0.03 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1gli h SER 89 Cb 0.55 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 1gli h SER 89 CO 0.04 0.18 0.34 -0.33 -0.53 0.00 0.00 176.83 176.53 1gli h GLU 90 N -0.05 0.62 -0.50 2.24 5.08 -1.12 -1.81 114.58 119.04 1gli h GLU 90 Ca 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1gli h GLU 90 Cb 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1gli h GLU 90 CO -0.00 0.41 0.18 1.25 -1.00 0.00 0.00 179.01 179.85 1gli h LEU 91 N 0.64 0.71 -1.18 1.33 5.85 -0.89 0.13 115.31 121.90 1gli h LEU 91 Ca 0.28 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1gli h LEU 91 Cb 0.17 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1gli h LEU 91 CO -0.18 0.71 -0.35 0.45 -0.34 0.00 0.00 178.44 178.73 1gli h HIS 92 N 0.68 0.00 0.00 1.25 3.86 -0.73 -1.10 115.15 119.11 1gli h HIS 92 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1gli h HIS 92 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1gli h HIS 92 CO 0.01 0.35 -0.05 0.00 0.86 0.00 0.00 177.93 179.10 1gli h ASP 94 N -0.87 0.57 0.00 0.00 3.32 -0.79 -3.09 116.42 115.57 1gli h ASP 94 Ca 0.00 -0.34 -0.24 0.00 0.02 0.00 0.00 57.03 56.47 1gli h ASP 94 Cb 0.05 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1gli h ASP 94 CO 0.00 1.06 -1.90 0.29 -1.72 0.00 0.00 179.24 176.97 1gli n LYS 95 N -3.90 0.60 0.03 3.56 4.76 -0.52 -4.71 118.16 117.98 1gli n LYS 95 Ca -0.04 0.08 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1gli n LYS 95 Cb 0.66 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 32.42 1gli n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1gli n LEU 96 N -2.90 0.32 -3.66 -0.35 4.77 -0.61 -4.99 117.00 109.58 1gli n LEU 96 Ca -0.27 0.10 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1gli n LEU 96 Cb 0.81 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.94 1gli n LEU 96 CO 0.17 -0.05 0.10 1.41 -1.33 0.00 0.00 177.39 177.69 1gli n HIS 97 N -2.37 -2.34 -3.20 -1.77 8.25 -0.19 -4.96 115.22 108.64 1gli n HIS 97 Ca -0.02 0.93 -0.41 0.00 -0.26 0.00 0.00 57.72 57.96 1gli n HIS 97 Cb 0.55 -4.65 -0.07 0.00 1.12 0.00 0.00 29.99 26.94 1gli n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gli s VAL 98 N -3.41 5.00 -0.02 1.59 1.01 -0.57 -5.02 120.40 118.98 1gli s VAL 98 Ca 0.31 0.64 -0.34 0.00 0.00 0.00 0.00 61.98 62.60 1gli s VAL 98 Cb -0.15 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.17 1gli s VAL 98 CO 0.77 -0.12 1.81 -0.67 0.00 0.00 0.00 175.10 176.90 1gli n ASP 99 N 5.75 3.41 0.06 3.32 -0.08 -1.26 -4.79 116.55 122.96 1gli n ASP 99 Ca -0.03 1.00 0.05 0.00 -1.51 0.00 0.00 54.79 54.29 1gli n ASP 99 Cb 0.49 -1.40 0.25 0.00 2.34 0.00 0.00 41.12 42.81 1gli n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1gli n PRO 100 N 5.87 0.06 0.26 -0.67 -0.02 -1.26 -1.16 135.00 138.08 1gli n PRO 100 Ca 0.21 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1gli n PRO 100 Cb 0.30 -1.67 0.68 0.00 -0.02 0.00 0.00 33.50 32.79 1gli n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1gli h GLU 101 N 0.00 0.00 -0.11 -0.52 4.57 -1.98 -1.27 114.58 115.26 1gli h GLU 101 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1gli h GLU 101 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1gli h GLU 101 CO 0.00 0.08 0.05 -0.91 -1.18 0.00 0.00 179.01 177.05 1gli h ASN 102 N 0.00 0.13 0.19 1.04 2.35 -1.51 -1.81 115.58 115.98 1gli h ASN 102 Ca -0.00 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1gli h ASN 102 Cb 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1gli h ASN 102 CO 0.01 0.13 -0.45 -0.26 -1.65 0.00 0.00 177.43 175.21 1gli h PHE 103 N 0.16 0.38 -0.24 1.19 0.04 -1.42 -1.22 116.94 115.83 1gli h PHE 103 Ca 0.04 -0.11 -0.17 0.00 2.80 0.00 0.00 57.97 60.53 1gli h PHE 103 Cb 0.03 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.11 1gli h PHE 103 CO 0.00 0.72 -0.52 0.00 -0.60 0.00 0.00 178.31 177.91 1gli h ARG 104 N 0.26 0.78 -0.63 1.51 3.08 -1.39 -1.43 114.38 116.56 1gli h ARG 104 Ca 0.02 -0.51 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1gli h ARG 104 Cb 0.90 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1gli h ARG 104 CO 0.07 1.14 0.32 -0.07 -1.07 0.00 0.00 179.97 180.36 1gli h LEU 105 N 0.52 0.80 -0.77 3.04 3.38 -1.18 -1.92 115.31 119.18 1gli h LEU 105 Ca 0.00 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1gli h LEU 105 Cb 1.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1gli h LEU 105 CO 0.11 0.69 -0.10 0.25 0.09 0.00 0.00 178.44 179.48 1gli h LEU 106 N 0.86 0.81 -0.85 1.67 5.85 -1.11 -1.27 115.31 121.27 1gli h LEU 106 Ca 0.22 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1gli h LEU 106 Cb 0.09 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1gli h LEU 106 CO -0.03 0.94 0.56 1.23 -0.34 0.00 0.00 178.44 180.80 1gli h GLY 107 N 0.97 1.20 1.51 3.75 0.00 -0.84 0.14 103.07 109.82 1gli h GLY 107 Ca 0.13 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 1gli h GLY 107 CO 0.04 0.42 -0.73 3.43 0.00 0.00 0.00 176.54 179.70 1gli h ASN 108 N 1.14 0.57 -0.21 0.19 2.35 -0.93 -2.01 115.58 116.68 1gli h ASN 108 Ca 0.32 -0.37 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1gli h ASN 108 Cb -0.11 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1gli h ASN 108 CO -0.08 1.12 -0.21 0.58 -1.65 0.00 0.00 177.43 177.19 1gli h VAL 109 N 0.33 1.27 -0.62 2.81 2.07 -0.79 -1.99 116.25 119.32 1gli h VAL 109 Ca -0.03 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 1gli h VAL 109 Cb 1.32 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1gli h VAL 109 CO 0.13 0.42 0.19 0.25 0.02 0.00 0.00 177.57 178.58 1gli h LEU 110 N 0.59 0.88 -0.76 2.57 5.85 -0.50 -0.05 115.31 123.89 1gli h LEU 110 Ca 0.09 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1gli h LEU 110 Cb 0.68 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1gli h LEU 110 CO 0.05 0.83 -0.10 0.58 -0.34 0.00 0.00 178.44 179.46 1gli h VAL 111 N 0.91 1.26 -0.56 1.05 2.07 -0.99 -0.45 116.25 119.55 1gli h VAL 111 Ca 0.20 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1gli h VAL 111 Cb 0.27 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1gli h VAL 111 CO -0.01 0.41 0.08 0.00 0.02 0.00 0.00 177.57 178.07 1gli h VAL 113 N 0.85 1.27 -0.61 0.00 2.07 -0.50 -0.49 116.25 118.84 1gli h VAL 113 Ca 0.17 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1gli h VAL 113 Cb 0.39 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1gli h VAL 113 CO 0.01 0.48 0.11 -0.07 0.02 0.00 0.00 177.57 178.11 1gli h LEU 114 N 0.75 0.93 -0.70 2.57 3.38 -0.85 -0.36 115.31 121.03 1gli h LEU 114 Ca 0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1gli h LEU 114 Cb 0.82 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1gli h LEU 114 CO 0.07 0.93 0.15 0.00 0.09 0.00 0.00 178.44 179.67 1gli h ALA 115 N 1.19 0.93 -0.27 1.53 0.00 -0.92 0.04 119.26 121.75 1gli h ALA 115 Ca 0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1gli h ALA 115 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gli h ALA 115 CO 0.01 0.67 -0.33 1.25 0.00 0.00 0.00 179.25 180.85 1gli h HIS 116 N 1.07 0.66 -0.03 0.00 -0.00 -0.60 -0.38 115.15 115.86 1gli h HIS 116 Ca 0.22 -0.17 -0.17 0.00 -0.00 0.00 0.00 60.37 60.25 1gli h HIS 116 Cb 0.40 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.68 1gli h HIS 116 CO 0.03 0.83 -0.64 1.25 -0.00 0.00 0.00 177.93 179.40 1gli h HIS 117 N 0.48 0.69 -0.00 5.26 6.17 -0.74 -3.35 115.15 123.67 1gli h HIS 117 Ca 0.06 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 60.78 1gli h HIS 117 Cb 0.80 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1gli h HIS 117 CO 0.03 1.17 -0.88 1.19 0.71 0.00 0.00 177.93 180.15 1gli n PHE 118 N -4.17 0.00 -0.22 5.26 3.72 -0.03 -5.04 117.46 116.98 1gli n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1gli n PHE 118 Cb 0.68 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 1gli n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gli n GLY 119 N 1.44 3.36 0.04 1.37 0.00 -0.16 -2.16 105.19 109.09 1gli n GLY 119 Ca 0.04 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1gli n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gli n LYS 120 N 14.00 0.05 0.24 1.61 2.85 -1.26 -1.12 118.16 134.53 1gli n LYS 120 Ca 0.00 0.37 0.14 0.00 -1.05 0.00 0.00 58.31 57.77 1gli n LYS 120 Cb 0.00 -1.62 0.41 0.00 -0.65 0.00 0.00 35.03 33.18 1gli n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1gli h GLU 121 N 0.00 0.00 -4.05 -1.58 4.81 -1.82 -3.33 114.58 108.61 1gli h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1gli h GLU 121 Cb 0.21 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.43 1gli h GLU 121 CO 0.00 0.03 1.78 0.34 -0.73 0.00 0.00 179.01 180.43 1gli n PHE 122 N -3.12 3.79 -1.53 0.92 7.35 -0.28 -4.94 117.46 119.65 1gli n PHE 122 Ca 0.02 -3.02 -0.31 0.00 -0.76 0.00 0.00 57.45 53.39 1gli n PHE 122 Cb 0.43 -2.06 0.07 0.00 0.35 0.00 0.00 39.48 38.27 1gli n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1gli s THR 123 N 0.96 3.59 0.23 -2.13 -4.23 -1.25 -4.72 115.64 108.09 1gli s THR 123 Ca 0.41 0.52 -0.12 0.00 -1.18 0.00 0.00 61.69 61.32 1gli s THR 123 Cb 0.05 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1gli s THR 123 CO 0.00 -0.67 1.60 -0.65 -0.54 0.00 0.00 174.62 174.36 1gli h PRO 124 N -0.91 -0.01 -0.61 3.99 0.11 -1.93 0.95 132.00 133.59 1gli h PRO 124 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1gli h PRO 124 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1gli h PRO 124 CO 0.57 -0.00 0.34 -1.35 -0.21 0.00 0.00 178.00 177.35 1gli h PRO 125 N -0.01 0.84 -0.30 1.05 0.11 -1.99 -0.88 132.00 130.81 1gli h PRO 125 Ca 0.36 -0.08 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 1gli h PRO 125 Cb 0.56 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1gli h PRO 125 CO -0.78 0.61 -0.51 0.28 -0.21 0.00 0.00 178.00 177.39 1gli h VAL 126 N 0.85 1.28 -0.62 3.15 2.07 -1.51 -2.21 116.25 119.25 1gli h VAL 126 Ca 0.22 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1gli h VAL 126 Cb 0.01 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1gli h VAL 126 CO -0.04 0.55 0.40 -0.61 0.02 0.00 0.00 177.57 177.89 1gli h GLN 127 N 0.68 0.83 -0.97 1.57 4.15 -0.53 -1.30 115.11 119.55 1gli h GLN 127 Ca 0.03 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.43 1gli h GLN 127 Cb 1.11 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.56 1gli h GLN 127 CO 0.11 0.57 0.63 0.00 -1.93 0.00 0.00 178.83 178.22 1gli h ALA 128 N 1.21 1.31 -0.43 3.38 0.00 -0.94 0.18 119.26 123.98 1gli h ALA 128 Ca 0.23 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1gli h ALA 128 Cb -0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1gli h ALA 128 CO -0.05 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 1gli h ALA 129 N 1.41 0.59 0.00 0.00 0.00 -0.91 -2.48 119.26 117.88 1gli h ALA 129 Ca 0.40 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1gli h ALA 129 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gli h ALA 129 CO -0.14 0.50 -0.42 1.88 0.00 0.00 0.00 179.25 181.06 1gli h TYR 130 N 0.67 0.00 -0.41 0.00 0.05 -0.30 -2.23 116.97 114.75 1gli h TYR 130 Ca 0.10 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1gli h TYR 130 Cb 0.68 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1gli h TYR 130 CO 0.05 0.42 -0.18 1.96 -1.05 0.00 0.00 178.16 179.36 1gli h GLN 131 N 0.00 0.80 -0.60 4.88 1.08 -0.36 -0.23 115.11 120.67 1gli h GLN 131 Ca -0.00 -0.30 -0.09 0.00 -1.45 0.00 0.00 58.65 56.81 1gli h GLN 131 Cb 0.79 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 1gli h GLN 131 CO 0.06 0.92 0.03 0.87 -0.95 0.00 0.00 178.83 179.76 1gli h LYS 132 N 0.70 1.02 -0.28 1.46 1.57 -1.05 -1.69 116.57 118.30 1gli h LYS 132 Ca 0.10 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1gli h LYS 132 Cb 0.69 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1gli h LYS 132 CO 0.05 0.98 -0.06 0.28 -0.57 0.00 0.00 179.45 180.14 1gli h VAL 133 N 0.95 1.28 -0.04 0.50 2.07 -0.94 -0.76 116.25 119.31 1gli h VAL 133 Ca 0.18 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 1gli h VAL 133 Cb 0.50 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1gli h VAL 133 CO 0.02 0.34 -0.50 -0.37 0.02 0.00 0.00 177.57 177.08 1gli h VAL 134 N 0.30 1.36 -0.24 2.57 -1.51 -0.96 0.13 116.25 117.91 1gli h VAL 134 Ca 0.07 -1.73 -0.13 0.00 -1.23 0.00 0.00 66.70 63.69 1gli h VAL 134 Cb 0.53 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1gli h VAL 134 CO 0.03 0.50 -0.39 0.00 -1.23 0.00 0.00 177.57 176.48 1gli h ALA 135 N 1.42 0.88 -0.44 5.19 0.00 -1.17 -1.22 119.26 123.92 1gli h ALA 135 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1gli h ALA 135 Cb 0.91 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1gli h ALA 135 CO 0.07 0.64 -0.10 0.78 0.00 0.00 0.00 179.25 180.63 1gli h GLY 136 N 1.06 0.91 1.04 0.00 0.00 -0.35 -1.20 103.07 104.53 1gli h GLY 136 Ca 0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 1gli h GLY 136 CO 0.08 0.69 -0.17 -2.08 0.00 0.00 0.00 176.54 175.05 1gli h VAL 137 N 0.67 1.28 -0.84 4.60 2.07 -0.84 -0.58 116.25 122.60 1gli h VAL 137 Ca 0.11 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1gli h VAL 137 Cb 0.64 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1gli h VAL 137 CO 0.04 0.44 0.46 0.00 0.02 0.00 0.00 177.57 178.54 1gli h ALA 138 N 0.84 1.08 -0.30 1.67 0.00 -1.08 -0.07 119.26 121.39 1gli h ALA 138 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gli h ALA 138 Cb 0.73 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gli h ALA 138 CO 0.06 0.59 0.19 -0.91 0.00 0.00 0.00 179.25 179.18 1gli h ASN 139 N 1.17 0.35 -0.47 0.00 2.35 -1.01 -1.55 115.58 116.43 1gli h ASN 139 Ca 0.30 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1gli h ASN 139 Cb 0.03 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1gli h ASN 139 CO -0.05 0.27 -0.01 0.00 -1.65 0.00 0.00 177.43 175.99 1gli h ALA 140 N 1.09 0.99 0.00 -0.83 0.00 -0.51 -1.82 119.26 118.19 1gli h ALA 140 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1gli h ALA 140 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1gli h ALA 140 CO -0.02 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1gli h LEU 141 N 0.82 0.00 -0.83 0.00 3.38 -0.74 -3.02 115.31 114.92 1gli h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gli h LEU 141 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1gli h LEU 141 CO 0.03 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.13 1gli n ALA 142 N -2.02 3.46 0.17 1.53 0.00 -0.61 -4.46 120.51 118.59 1gli n ALA 142 Ca 0.03 -0.58 0.03 0.00 0.00 0.00 0.00 53.44 52.92 1gli n ALA 142 Cb 0.39 -0.89 0.38 0.00 0.00 0.00 0.00 19.45 19.34 1gli n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gli h HIS 143 N 2.03 0.07 -0.50 0.00 6.17 -1.24 -2.69 115.15 118.99 1gli h HIS 143 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1gli h HIS 143 Cb 0.68 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.59 1gli h HIS 143 CO 0.00 0.35 0.00 1.63 0.71 0.00 0.00 177.93 180.62 1gli n LYS 144 N -4.17 4.25 -2.53 5.26 5.02 -1.26 -4.95 118.16 119.78 1gli n LYS 144 Ca -0.02 -3.04 -0.34 0.00 -2.02 0.00 0.00 58.31 52.89 1gli n LYS 144 Cb 0.35 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1gli n LYS 144 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1gli s TYR 145 N -2.65 3.01 0.00 2.13 1.51 -1.02 -4.73 117.35 115.62 1gli s TYR 145 Ca 0.51 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 58.15 1gli s TYR 145 Cb 0.38 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.15 1gli s TYR 145 CO 0.15 -0.84 0.00 -2.39 -1.11 0.00 0.00 175.55 171.36