#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grh h VAL 3 N 0.00 1.26 -0.80 -3.33 2.07 -1.90 -2.37 116.25 111.19 2grh h VAL 3 Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2grh h VAL 3 Cb 0.00 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2grh h VAL 3 CO 0.00 0.41 0.50 0.22 0.02 0.00 0.00 177.57 178.73 2grh h TYR 4 N 0.69 1.04 0.02 1.57 3.20 -1.95 -0.08 116.97 121.47 2grh h TYR 4 Ca 0.11 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2grh h TYR 4 Cb 0.64 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2grh h TYR 4 CO 0.03 0.68 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.78 2grh h ASP 5 N 1.09 -0.03 -0.67 -2.11 3.32 -1.88 0.44 116.42 116.57 2grh h ASP 5 Ca 0.29 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.38 2grh h ASP 5 Cb -0.08 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 2grh h ASP 5 CO -0.06 -0.00 0.39 0.00 -1.72 0.00 0.00 179.24 177.85 2grh h ALA 6 N 0.93 0.90 -0.18 3.45 0.00 -1.08 -1.68 119.26 121.59 2grh h ALA 6 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2grh h ALA 6 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2grh h ALA 6 CO 0.01 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.39 2grh h ALA 7 N 1.33 0.24 0.00 0.00 0.00 -0.56 -2.95 119.26 117.32 2grh h ALA 7 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2grh h ALA 7 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2grh h ALA 7 CO -0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 178.99 2grh h ALA 8 N 0.83 1.02 0.00 0.00 0.00 0.21 -2.73 119.26 118.59 2grh h ALA 8 Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2grh h ALA 8 Cb 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2grh h ALA 8 CO 0.00 0.01 -0.23 -0.56 0.00 0.00 0.00 179.25 178.47 2grh h GLN 9 N 0.00 0.00 -6.19 0.00 -0.00 -1.13 -3.45 115.11 104.34 2grh h GLN 9 Ca -0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.02 2grh h GLN 9 Cb 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.68 2grh h GLN 9 CO 0.00 0.14 1.18 1.28 -0.00 0.00 0.00 178.83 181.43 2grh n LEU 10 N -3.10 3.15 -4.94 0.06 4.77 -1.03 -4.94 117.00 110.98 2grh n LEU 10 Ca 0.03 0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 56.58 2grh n LEU 10 Cb 0.59 -1.35 0.05 0.00 -2.33 0.00 0.00 43.42 40.38 2grh n LEU 10 CO 0.36 -0.24 0.54 0.42 -1.33 0.00 0.00 177.39 177.13 2grh s THR 11 N 4.99 2.58 0.26 -5.08 -4.23 -1.26 -4.87 115.64 108.02 2grh s THR 11 Ca 0.97 -0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.11 2grh s THR 11 Cb -0.71 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.32 2grh s THR 11 CO 0.51 -0.06 1.87 0.00 -0.54 0.00 0.00 174.62 176.39 2grh h ALA 12 N -0.36 1.34 -0.53 3.99 0.00 -1.99 -0.19 119.26 121.53 2grh h ALA 12 Ca -0.44 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 2grh h ALA 12 Cb 1.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2grh h ALA 12 CO 0.58 0.38 -0.10 -0.44 0.00 0.00 0.00 179.25 179.66 2grh h ASP 13 N 1.10 0.98 -0.35 0.00 3.32 -1.99 -1.05 116.42 118.43 2grh h ASP 13 Ca 0.42 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2grh h ASP 13 Cb 0.19 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2grh h ASP 13 CO -0.18 1.09 -0.12 0.58 -1.72 0.00 0.00 179.24 178.89 2grh h VAL 14 N 0.88 1.28 -0.09 -1.35 2.07 -1.76 -1.91 116.25 115.37 2grh h VAL 14 Ca 0.14 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2grh h VAL 14 Cb 0.66 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2grh h VAL 14 CO 0.05 0.40 -0.25 0.11 0.02 0.00 0.00 177.57 177.89 2grh h LYS 15 N 0.50 0.16 -0.30 1.57 1.57 -0.95 -0.81 116.57 118.30 2grh h LYS 15 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2grh h LYS 15 Cb 0.65 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2grh h LYS 15 CO 0.04 0.40 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.08 2grh h LYS 16 N 0.14 0.55 -0.51 3.15 1.63 -0.94 -1.36 116.57 119.24 2grh h LYS 16 Ca 0.02 -0.19 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 2grh h LYS 16 Cb 0.53 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2grh h LYS 16 CO 0.04 0.71 -0.05 -0.44 -3.45 0.00 0.00 179.45 176.26 2grh h ASP 17 N 0.33 0.89 -0.17 4.20 3.32 -0.96 -1.15 116.42 122.88 2grh h ASP 17 Ca 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2grh h ASP 17 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2grh h ASP 17 CO 0.02 0.97 0.06 -0.07 -1.72 0.00 0.00 179.24 178.50 2grh h LEU 18 N 0.83 0.24 -0.42 1.55 3.38 -1.07 -2.17 115.31 117.65 2grh h LEU 18 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2grh h LEU 18 Cb 0.56 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2grh h LEU 18 CO 0.03 0.37 0.11 0.03 0.09 0.00 0.00 178.44 179.07 2grh h ARG 19 N 0.10 0.66 -0.59 1.13 3.08 -1.10 -0.56 114.38 117.10 2grh h ARG 19 Ca 0.05 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2grh h ARG 19 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2grh h ARG 19 CO -0.00 0.67 0.36 -0.44 -1.07 0.00 0.00 179.97 179.49 2grh h ASP 20 N 0.53 0.71 0.41 7.04 3.32 -1.22 -0.95 116.42 126.26 2grh h ASP 20 Ca 0.13 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 2grh h ASP 20 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2grh h ASP 20 CO -0.00 0.55 -0.76 0.77 -1.72 0.00 0.00 179.24 178.09 2grh h SER 21 N 0.80 0.34 0.38 6.45 4.64 -1.33 -3.09 113.55 121.75 2grh h SER 21 Ca 0.21 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 2grh h SER 21 Cb -0.03 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2grh h SER 21 CO -0.04 0.98 -0.38 -0.25 -0.87 0.00 0.00 176.83 176.26 2grh h TRP 22 N 0.18 0.00 -0.68 4.77 2.91 -0.85 -1.34 115.95 120.95 2grh h TRP 22 Ca -0.03 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.11 2grh h TRP 22 Cb 1.33 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.94 2grh h TRP 22 CO 0.03 0.38 0.45 0.87 -1.03 0.00 0.00 178.44 179.15 2grh h LYS 23 N 0.00 0.41 0.00 2.65 1.57 -1.08 0.31 116.57 120.43 2grh h LYS 23 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2grh h LYS 23 Cb 0.68 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2grh h LYS 23 CO 0.05 0.27 -0.43 0.28 -0.57 0.00 0.00 179.45 179.05 2grh h VAL 24 N 0.42 0.00 0.00 0.50 2.07 -1.48 -3.32 116.25 114.44 2grh h VAL 24 Ca 0.32 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2grh h VAL 24 Cb 0.69 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2grh h VAL 24 CO -0.10 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.75 2grh h ILE 25 N -0.90 0.89 -0.00 4.57 1.08 -1.29 -1.87 117.51 119.99 2grh h ILE 25 Ca 0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 2grh h ILE 25 Cb 0.43 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 2grh h ILE 25 CO 0.00 0.14 -0.08 0.61 -0.69 0.00 0.00 178.15 178.14 2grh n GLY 26 N -0.93 -0.95 0.10 5.37 0.00 0.11 -3.65 105.19 105.24 2grh n GLY 26 Ca -0.02 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2grh n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2grh n SER 27 N -0.95 0.75 -3.49 1.61 3.41 -0.70 -4.10 113.62 110.15 2grh n SER 27 Ca 0.16 0.57 -0.27 0.00 -0.26 0.00 0.00 58.87 59.07 2grh n SER 27 Cb 0.26 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.33 2grh n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2grh n ASP 28 N -2.20 0.42 -0.14 4.04 2.03 -1.24 -4.98 116.55 114.47 2grh n ASP 28 Ca 0.06 -2.60 -0.04 0.00 0.52 0.00 0.00 54.79 52.73 2grh n ASP 28 Cb 0.41 -0.60 0.17 0.00 -0.72 0.00 0.00 41.12 40.38 2grh n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2grh h LYS 29 N 5.43 0.86 0.12 -0.67 1.57 -1.78 -0.38 116.57 121.72 2grh h LYS 29 Ca 0.23 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2grh h LYS 29 Cb 0.87 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2grh h LYS 29 CO 0.46 0.79 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.85 2grh h LYS 30 N 0.82 -0.16 0.02 3.15 3.64 -1.92 0.04 116.57 122.17 2grh h LYS 30 Ca 0.18 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2grh h LYS 30 Cb 0.33 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2grh h LYS 30 CO 0.00 0.23 -0.01 0.78 -2.27 0.00 0.00 179.45 178.18 2grh h GLY 31 N -0.57 -0.03 2.00 5.01 0.00 -1.96 -2.02 103.07 105.50 2grh h GLY 31 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2grh h GLY 31 CO 0.03 -0.01 -0.56 3.43 0.00 0.00 0.00 176.54 179.43 2grh h ASN 32 N -0.22 0.00 -0.19 0.19 2.35 -1.18 -2.25 115.58 114.29 2grh h ASN 32 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 2grh h ASN 32 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2grh h ASN 32 CO 0.00 0.56 -0.13 1.23 -1.65 0.00 0.00 177.43 177.44 2grh h GLY 33 N 2.58 0.47 1.34 2.83 0.00 -0.96 -1.01 103.07 108.32 2grh h GLY 33 Ca -0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2grh h GLY 33 CO 0.07 0.40 -0.13 -2.08 0.00 0.00 0.00 176.54 174.81 2grh h VAL 34 N 0.11 1.26 -0.66 4.60 2.07 -1.38 -1.94 116.25 120.32 2grh h VAL 34 Ca 0.04 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2grh h VAL 34 Cb 0.64 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2grh h VAL 34 CO 0.04 0.41 0.36 0.00 0.02 0.00 0.00 177.57 178.39 2grh h ALA 35 N 1.15 0.85 0.05 1.67 0.00 -1.31 -0.23 119.26 121.44 2grh h ALA 35 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2grh h ALA 35 Cb 0.62 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2grh h ALA 35 CO 0.04 0.37 -0.02 1.25 0.00 0.00 0.00 179.25 180.88 2grh h LEU 36 N 0.90 -0.06 -0.42 0.00 5.85 -0.84 -1.38 115.31 119.38 2grh h LEU 36 Ca 0.23 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 2grh h LEU 36 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2grh h LEU 36 CO -0.04 0.07 0.03 0.58 -0.34 0.00 0.00 178.44 178.75 2grh h VAL 37 N -0.18 1.25 -0.04 1.05 2.07 -1.25 -2.28 116.25 116.88 2grh h VAL 37 Ca -0.01 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 2grh h VAL 37 Cb 0.16 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2grh h VAL 37 CO 0.01 0.33 -0.32 0.71 0.02 0.00 0.00 177.57 178.32 2grh h THR 38 N 0.55 1.25 -0.18 2.57 1.35 -1.03 -2.24 112.91 115.18 2grh h THR 38 Ca 0.12 -1.17 -0.15 0.00 -0.55 0.00 0.00 66.41 64.66 2grh h THR 38 Cb 0.43 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2grh h THR 38 CO 0.01 0.34 -0.53 0.74 -0.25 0.00 0.00 175.52 175.83 2grh h THR 39 N 0.07 1.32 -0.47 6.82 2.02 -1.10 -0.78 112.91 120.79 2grh h THR 39 Ca 0.01 -1.78 0.01 0.00 0.77 0.00 0.00 66.41 65.42 2grh h THR 39 Cb 0.60 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 2grh h THR 39 CO 0.04 0.55 0.30 0.25 0.37 0.00 0.00 175.52 177.03 2grh h LEU 40 N 0.41 0.50 -0.83 2.58 5.85 -0.84 -0.77 115.31 122.21 2grh h LEU 40 Ca 0.01 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 2grh h LEU 40 Cb 1.06 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2grh h LEU 40 CO 0.10 0.36 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.14 2grh h PHE 41 N 0.60 0.77 -0.33 1.25 0.04 -1.19 0.49 116.94 118.58 2grh h PHE 41 Ca 0.18 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 2grh h PHE 41 Cb -0.03 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 2grh h PHE 41 CO -0.05 0.81 -0.09 0.00 -0.60 0.00 0.00 178.31 178.38 2grh h ALA 42 N 1.20 0.45 0.00 2.45 0.00 -0.71 -3.06 119.26 119.59 2grh h ALA 42 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2grh h ALA 42 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2grh h ALA 42 CO 0.04 0.30 -0.86 -0.44 0.00 0.00 0.00 179.25 178.30 2grh h ASP 43 N 0.42 0.00 -2.08 0.00 3.32 -1.12 -3.40 116.42 113.56 2grh h ASP 43 Ca 0.08 -0.11 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 2grh h ASP 43 Cb 0.59 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.75 2grh h ASP 43 CO 0.03 0.05 -1.00 0.59 -1.72 0.00 0.00 179.24 177.20 2grh n ASN 44 N -2.43 0.83 0.23 6.45 4.13 0.16 -4.96 115.26 119.67 2grh n ASN 44 Ca 0.01 -2.81 0.18 0.00 1.68 0.00 0.00 54.58 53.64 2grh n ASN 44 Cb 0.50 -0.64 0.87 0.00 -1.54 0.00 0.00 39.78 38.97 2grh n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2grh h GLN 45 N 4.18 0.00 0.00 3.52 7.50 -1.73 -1.40 115.11 127.18 2grh h GLN 45 Ca 0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.26 2grh h GLN 45 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.37 2grh h GLN 45 CO 0.53 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.01 2grh n GLU 46 N -3.62 0.14 0.04 1.46 0.00 -1.26 -2.22 120.64 115.18 2grh n GLU 46 Ca 0.01 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.75 2grh n GLU 46 Cb 0.31 -1.82 0.17 0.00 0.00 0.00 0.00 31.44 30.10 2grh n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2grh n THR 47 N -2.09 0.22 -0.27 3.84 -2.24 -0.53 -4.30 114.28 108.92 2grh n THR 47 Ca 0.01 -0.19 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 2grh n THR 47 Cb 0.15 0.03 0.18 0.00 -2.10 0.00 0.00 70.33 68.60 2grh n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2grh h ILE 48 N 0.00 0.78 -0.68 2.28 2.04 -1.61 -2.01 117.51 118.30 2grh h ILE 48 Ca 0.00 -0.21 0.18 0.00 1.00 0.00 0.00 64.86 65.83 2grh h ILE 48 Cb 0.67 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2grh h ILE 48 CO 0.00 0.11 0.48 1.23 0.00 0.00 0.00 178.15 179.97 2grh h GLY 49 N 0.61 0.21 2.00 5.37 0.00 -1.80 -0.94 103.07 108.52 2grh h GLY 49 Ca 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2grh h GLY 49 CO -0.32 0.01 -0.08 -0.97 0.00 0.00 0.00 176.54 175.17 2grh h TYR 50 N 0.12 0.00 -0.84 5.60 0.05 -1.65 -3.15 116.97 117.09 2grh h TYR 50 Ca 0.33 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.67 2grh h TYR 50 Cb 1.15 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.62 2grh h TYR 50 CO -0.00 0.08 0.47 1.19 -1.05 0.00 0.00 178.16 178.85 2grh n PHE 51 N -3.35 2.59 0.23 4.88 3.72 -0.36 -4.69 117.46 120.49 2grh n PHE 51 Ca -0.01 -1.86 0.16 0.00 -0.05 0.00 0.00 57.45 55.70 2grh n PHE 51 Cb 0.26 -0.86 0.85 0.00 -0.94 0.00 0.00 39.48 38.80 2grh n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2grh h LYS 52 N 1.06 0.00 0.00 -1.08 2.10 -1.68 -0.81 116.57 116.16 2grh h LYS 52 Ca 0.53 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.16 2grh h LYS 52 Cb 2.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.79 2grh h LYS 52 CO 0.95 0.00 -0.12 -0.09 -2.00 0.00 0.00 179.45 178.19 2grh h ARG 53 N 0.00 0.00 0.00 0.07 2.43 -1.91 -2.18 114.38 112.79 2grh h ARG 53 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2grh h ARG 53 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2grh h ARG 53 CO -0.00 0.12 0.00 1.28 -1.51 0.00 0.00 179.97 179.86 2grh n LEU 54 N -4.11 0.00 0.00 3.80 4.77 -0.31 -5.01 117.00 116.14 2grh n LEU 54 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2grh n LEU 54 Cb 0.20 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2grh n LEU 54 CO 0.33 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2grh n GLY 55 N 0.99 0.13 3.55 -0.72 0.00 -0.82 -4.46 105.19 103.86 2grh n GLY 55 Ca 0.09 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2grh n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2grh s ASP 56 N -4.00 6.28 0.00 1.61 -1.08 -1.26 -4.84 116.67 113.38 2grh s ASP 56 Ca 0.00 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.34 2grh s ASP 56 Cb 0.00 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 2grh s ASP 56 CO 0.00 -1.72 1.43 1.33 0.52 0.00 0.00 175.17 176.73 2grh n VAL 57 N 6.58 0.97 0.51 1.11 0.24 -1.26 -2.13 118.33 124.35 2grh n VAL 57 Ca 0.15 0.24 0.11 0.00 -2.04 0.00 0.00 64.34 62.80 2grh n VAL 57 Cb 0.50 -1.00 0.45 0.00 -1.47 0.00 0.00 33.84 32.31 2grh n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2grh n SER 58 N -1.46 0.50 0.08 -1.34 3.41 -1.26 -2.46 113.62 111.09 2grh n SER 58 Ca 0.04 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2grh n SER 58 Cb 0.15 -0.71 0.46 0.00 -0.26 0.00 0.00 64.21 63.84 2grh n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2grh n GLN 59 N -2.02 0.16 0.00 4.33 1.13 -0.90 -4.97 117.38 115.10 2grh n GLN 59 Ca 0.03 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2grh n GLN 59 Cb 0.26 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.88 2grh n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2grh n GLY 60 N 0.70 3.13 0.41 1.08 0.00 -1.03 -2.59 105.19 106.89 2grh n GLY 60 Ca 0.04 -0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.13 2grh n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2grh h MET 61 N 0.00 0.27 0.00 1.61 1.85 -1.93 -1.24 114.93 115.49 2grh h MET 61 Ca 0.00 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.03 2grh h MET 61 Cb 0.00 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 2grh h MET 61 CO 0.00 0.18 -0.20 0.00 -0.40 0.00 0.00 176.91 176.49 2grh h ALA 62 N 1.61 1.16 -1.65 0.39 0.00 -1.92 -3.41 119.26 115.44 2grh h ALA 62 Ca 0.44 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.61 2grh h ALA 62 Cb 1.27 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2grh h ALA 62 CO -0.12 0.25 1.09 1.21 0.00 0.00 0.00 179.25 181.68 2grh s ASN 63 N -6.24 6.19 0.21 0.00 3.84 -0.47 -4.89 114.94 113.58 2grh s ASN 63 Ca -0.01 0.45 -0.08 0.00 0.21 0.00 0.00 52.86 53.42 2grh s ASN 63 Cb 0.12 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.57 2grh s ASN 63 CO 0.62 -1.63 1.77 0.44 -2.79 0.00 0.00 177.10 175.51 2grh h ASP 64 N 10.97 0.37 -0.72 -4.21 3.32 -1.86 -0.50 116.42 123.79 2grh h ASP 64 Ca -0.27 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 2grh h ASP 64 Cb 1.10 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2grh h ASP 64 CO 1.15 0.22 0.28 0.11 -1.72 0.00 0.00 179.24 179.28 2grh h LYS 65 N 0.52 1.09 -0.41 3.56 1.57 -1.90 0.21 116.57 121.21 2grh h LYS 65 Ca 0.32 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2grh h LYS 65 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2grh h LYS 65 CO -0.27 0.89 -0.29 1.25 -0.57 0.00 0.00 179.45 180.46 2grh h LEU 66 N 1.06 0.91 -0.28 2.94 5.85 -1.66 -1.60 115.31 122.53 2grh h LEU 66 Ca 0.24 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2grh h LEU 66 Cb 0.21 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2grh h LEU 66 CO -0.02 1.13 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.11 2grh h ARG 67 N 0.75 0.51 -0.80 1.25 2.43 -0.59 0.28 114.38 118.21 2grh h ARG 67 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2grh h ARG 67 Cb 0.85 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2grh h ARG 67 CO 0.07 0.68 0.35 0.78 -1.51 0.00 0.00 179.97 180.34 2grh h GLY 68 N 0.29 1.26 0.86 2.80 0.00 -0.54 -0.97 103.07 106.77 2grh h GLY 68 Ca 0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 2grh h GLY 68 CO 0.02 0.63 0.03 0.84 0.00 0.00 0.00 176.54 178.06 2grh h HIS 69 N 1.15 0.47 -0.65 5.60 -0.00 -1.11 -2.39 115.15 118.22 2grh h HIS 69 Ca 0.27 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 2grh h HIS 69 Cb 0.18 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 2grh h HIS 69 CO 0.02 0.56 0.18 0.77 -0.00 0.00 0.00 177.93 179.46 2grh h SER 70 N 0.24 0.97 -0.37 3.26 0.02 -0.67 -0.42 113.55 116.58 2grh h SER 70 Ca 0.08 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2grh h SER 70 Cb 0.35 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2grh h SER 70 CO 0.01 0.93 0.11 0.40 -1.14 0.00 0.00 176.83 177.14 2grh h ILE 71 N 0.95 1.21 -0.48 3.27 2.04 -1.19 -2.73 117.51 120.58 2grh h ILE 71 Ca 0.21 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2grh h ILE 71 Cb 0.33 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2grh h ILE 71 CO -0.00 0.24 0.16 0.74 0.00 0.00 0.00 178.15 179.29 2grh h THR 72 N 0.44 1.19 -0.75 -0.27 2.02 -1.17 -1.87 112.91 112.50 2grh h THR 72 Ca 0.12 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2grh h THR 72 Cb 0.26 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2grh h THR 72 CO -0.00 0.24 0.43 0.25 0.37 0.00 0.00 175.52 176.81 2grh h LEU 73 N 0.69 0.92 -1.58 2.58 6.46 -0.84 -1.56 115.31 121.98 2grh h LEU 73 Ca 0.16 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2grh h LEU 73 Cb 0.19 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2grh h LEU 73 CO -0.01 0.73 -0.21 0.24 -0.62 0.00 0.00 178.44 178.56 2grh h MET 74 N 1.05 0.00 0.00 1.25 2.86 -1.05 -1.63 114.93 117.41 2grh h MET 74 Ca 0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2grh h MET 74 Cb -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2grh h MET 74 CO -0.05 0.21 -0.04 1.88 1.06 0.00 0.00 176.91 179.98 2grh h TYR 75 N 0.00 0.00 -0.22 -0.22 0.05 -1.08 -0.52 116.97 114.98 2grh h TYR 75 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 2grh h TYR 75 Cb 0.49 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.24 2grh h TYR 75 CO 0.00 0.04 -0.65 0.00 -1.05 0.00 0.00 178.16 176.50 2grh h ALA 76 N 1.96 0.38 -0.34 3.88 0.00 -0.96 -1.31 119.26 122.87 2grh h ALA 76 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 2grh h ALA 76 Cb 0.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2grh h ALA 76 CO 0.00 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.56 2grh h LEU 77 N 0.60 0.75 -0.69 0.00 3.38 -1.25 -1.57 115.31 116.53 2grh h LEU 77 Ca -0.02 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2grh h LEU 77 Cb 1.27 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2grh h LEU 77 CO 0.14 1.00 0.44 -0.61 0.09 0.00 0.00 178.44 179.50 2grh h GLN 78 N 0.62 0.86 0.14 1.13 5.75 -0.95 -0.92 115.11 121.75 2grh h GLN 78 Ca 0.07 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2grh h GLN 78 Cb 0.81 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2grh h GLN 78 CO 0.07 0.57 -0.22 -0.97 -2.65 0.00 0.00 178.83 175.62 2grh h ASN 79 N 0.89 -0.62 -0.29 -0.69 -0.73 -0.88 -0.60 115.58 112.66 2grh h ASN 79 Ca 0.27 0.07 0.05 0.00 1.87 0.00 0.00 56.30 58.56 2grh h ASN 79 Cb -0.04 0.23 -0.05 0.00 0.27 0.00 0.00 38.32 38.73 2grh h ASN 79 CO -0.08 -0.31 -0.02 -0.26 -0.37 0.00 0.00 177.43 176.38 2grh h PHE 80 N -0.43 -0.06 -0.92 0.67 0.04 -0.86 -2.15 116.94 113.23 2grh h PHE 80 Ca 0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2grh h PHE 80 Cb 0.44 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 2grh h PHE 80 CO -0.20 -0.08 0.57 0.82 -0.60 0.00 0.00 178.31 178.82 2grh h ILE 81 N 0.06 1.25 0.00 -0.55 1.08 -0.93 -2.07 117.51 116.34 2grh h ILE 81 Ca 0.14 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2grh h ILE 81 Cb 0.20 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 33.88 2grh h ILE 81 CO -0.26 0.26 -0.07 0.44 -0.69 0.00 0.00 178.15 177.83 2grh h ASP 82 N 1.26 0.00 -0.36 1.72 3.32 -0.55 -2.98 116.42 118.84 2grh h ASP 82 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2grh h ASP 82 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2grh h ASP 82 CO -0.06 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2grh n GLN 83 N -3.23 2.38 -0.29 3.56 1.13 -0.80 -4.63 117.38 115.51 2grh n GLN 83 Ca -0.00 -2.08 0.16 0.00 -1.94 0.00 0.00 57.00 53.14 2grh n GLN 83 Cb 0.30 -1.49 0.43 0.00 0.11 0.00 0.00 30.24 29.59 2grh n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2grh h LEU 84 N 4.07 0.57 -0.45 1.08 3.38 -1.35 -2.22 115.31 120.38 2grh h LEU 84 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2grh h LEU 84 Cb 0.90 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2grh h LEU 84 CO 0.00 0.22 0.00 0.47 0.09 0.00 0.00 178.44 179.22 2grh n ASP 85 N -4.60 0.71 -3.60 -0.43 8.00 -1.26 -4.45 116.55 110.91 2grh n ASP 85 Ca 0.21 -1.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.16 2grh n ASP 85 Cb 0.64 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.61 2grh n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2grh s ASN 86 N -1.97 3.33 0.48 -2.24 3.84 -0.83 -4.99 114.94 112.54 2grh s ASN 86 Ca 0.42 -2.46 0.28 0.00 0.21 0.00 0.00 52.86 51.31 2grh s ASN 86 Cb 0.21 -0.76 1.34 0.00 -0.55 0.00 0.00 41.25 41.49 2grh s ASN 86 CO 0.35 -0.28 1.80 -0.65 -2.79 0.00 0.00 177.10 175.53 2grh h PRO 87 N 6.82 0.17 -0.72 0.43 0.11 -1.78 0.40 132.00 137.43 2grh h PRO 87 Ca 0.03 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2grh h PRO 87 Cb 0.94 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 2grh h PRO 87 CO 0.39 0.12 0.23 -0.44 -0.21 0.00 0.00 178.00 178.09 2grh h ASP 88 N 0.18 1.04 0.32 -2.05 3.32 -1.94 0.01 116.42 117.30 2grh h ASP 88 Ca 0.56 -0.21 -0.25 0.00 0.02 0.00 0.00 57.03 57.16 2grh h ASP 88 Cb 1.84 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 41.13 2grh h ASP 88 CO -0.14 0.97 -1.04 0.44 -1.72 0.00 0.00 179.24 177.74 2grh h ASP 89 N 1.05 0.61 -0.49 6.45 3.32 -1.28 -2.92 116.42 123.16 2grh h ASP 89 Ca 0.23 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2grh h ASP 89 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2grh h ASP 89 CO -0.01 1.34 0.26 0.25 -1.72 0.00 0.00 179.24 179.36 2grh h LEU 90 N 0.23 0.62 -0.53 1.55 5.85 -1.09 -2.48 115.31 119.46 2grh h LEU 90 Ca -0.11 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2grh h LEU 90 Cb 1.70 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 2grh h LEU 90 CO 0.19 0.54 0.35 0.58 -0.34 0.00 0.00 178.44 179.76 2grh h VAL 91 N 0.65 1.14 0.00 1.05 2.07 -1.02 -0.42 116.25 119.73 2grh h VAL 91 Ca 0.17 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2grh h VAL 91 Cb 0.07 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2grh h VAL 91 CO -0.03 0.14 -0.36 0.00 0.02 0.00 0.00 177.57 177.35 2grh h VAL 93 N 0.00 1.42 -0.69 0.00 -1.51 -1.19 -2.88 116.25 111.40 2grh h VAL 93 Ca -0.00 -2.99 -0.05 0.00 -1.23 0.00 0.00 66.70 62.42 2grh h VAL 93 Cb 0.71 2.91 -0.03 0.00 -2.13 0.00 0.00 31.29 32.75 2grh h VAL 93 CO 0.05 0.87 0.24 0.58 -1.23 0.00 0.00 177.57 178.08 2grh h VAL 94 N 0.08 1.25 -0.08 7.19 2.07 -0.78 -2.12 116.25 123.86 2grh h VAL 94 Ca -0.16 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 2grh h VAL 94 Cb 1.99 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2grh h VAL 94 CO 0.20 0.32 -0.31 -0.33 0.02 0.00 0.00 177.57 177.48 2grh h GLU 95 N 0.99 0.15 0.05 1.57 5.08 -1.15 0.10 114.58 121.36 2grh h GLU 95 Ca 0.22 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2grh h GLU 95 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2grh h GLU 95 CO -0.01 0.45 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.20 2grh h LYS 96 N 0.13 -0.06 0.00 2.33 3.11 -1.19 -1.98 116.57 118.92 2grh h LYS 96 Ca 0.02 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 2grh h LYS 96 Cb 0.61 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 2grh h LYS 96 CO 0.04 0.08 -0.33 0.74 -2.81 0.00 0.00 179.45 177.18 2grh h PHE 97 N -0.19 0.00 -0.63 1.91 0.04 -1.19 -2.75 116.94 114.13 2grh h PHE 97 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2grh h PHE 97 Cb 0.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2grh h PHE 97 CO -0.03 0.33 0.23 0.00 -0.60 0.00 0.00 178.31 178.23 2grh h ALA 98 N 1.67 0.83 -0.94 2.45 0.00 -0.63 -2.47 119.26 120.17 2grh h ALA 98 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2grh h ALA 98 Cb 0.78 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2grh h ALA 98 CO 0.04 0.47 0.62 0.28 0.00 0.00 0.00 179.25 180.66 2grh h VAL 99 N 0.90 1.24 -0.33 0.00 2.07 -1.06 0.23 116.25 119.30 2grh h VAL 99 Ca 0.21 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2grh h VAL 99 Cb 0.25 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2grh h VAL 99 CO -0.01 0.23 0.22 0.78 0.02 0.00 0.00 177.57 178.81 2grh h ASN 100 N 1.27 0.21 0.36 0.57 -0.26 -1.36 -1.94 115.58 114.43 2grh h ASN 100 Ca 0.34 -0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.77 2grh h ASN 100 Cb -0.15 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.02 2grh h ASN 100 CO -0.07 0.14 -1.86 1.41 -1.06 0.00 0.00 177.43 175.99 2grh n HIS 101 N -4.48 0.90 -0.25 1.19 8.25 -0.32 -3.88 115.22 116.63 2grh n HIS 101 Ca 0.04 0.29 -0.04 0.00 -0.26 0.00 0.00 57.72 57.75 2grh n HIS 101 Cb 0.22 -1.16 0.12 0.00 1.12 0.00 0.00 29.99 30.29 2grh n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2grh h ILE 102 N 0.01 1.25 0.00 1.59 2.04 -0.32 -1.39 117.51 120.69 2grh h ILE 102 Ca -0.35 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 2grh h ILE 102 Cb 2.04 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2grh h ILE 102 CO 0.07 0.31 -0.16 0.71 0.00 0.00 0.00 178.15 179.09 2grh h THR 103 N 1.08 0.79 -0.42 -0.27 1.35 -1.51 -1.21 112.91 112.72 2grh h THR 103 Ca 0.25 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2grh h THR 103 Cb 0.18 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2grh h THR 103 CO -0.02 0.15 0.00 0.54 -0.25 0.00 0.00 175.52 175.94 2grh n ARG 104 N -3.88 2.09 -2.93 4.72 3.00 -0.65 -4.94 116.66 114.06 2grh n ARG 104 Ca -0.02 -1.67 -0.17 0.00 -0.01 0.00 0.00 57.85 55.97 2grh n ARG 104 Cb 0.25 -1.39 0.03 0.00 0.00 0.00 0.00 32.46 31.35 2grh n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2grh n LYS 105 N 0.86 -4.20 -3.23 5.56 5.02 -0.46 -4.98 118.16 116.74 2grh n LYS 105 Ca 0.16 0.68 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 2grh n LYS 105 Cb 0.41 -5.09 -0.08 0.00 -0.02 0.00 0.00 35.03 30.25 2grh n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2grh s ILE 106 N -3.07 5.02 0.78 -0.18 -1.09 -0.62 -5.03 121.20 117.01 2grh s ILE 106 Ca 0.27 0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 2grh s ILE 106 Cb -0.12 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.90 2grh s ILE 106 CO 0.34 -0.11 1.13 -0.94 -1.23 0.00 0.00 174.94 174.13 2grh s SER 107 N 1.69 4.78 0.23 3.58 1.04 -1.26 -4.52 113.70 119.24 2grh s SER 107 Ca 0.20 1.01 -0.08 0.00 0.48 0.00 0.00 55.95 57.56 2grh s SER 107 Cb -0.15 -1.66 0.20 0.00 0.10 0.00 0.00 66.02 64.50 2grh s SER 107 CO 0.12 -1.75 1.88 0.00 0.98 0.00 0.00 173.24 174.47 2grh h ALA 108 N -0.94 1.09 -0.62 5.32 0.00 -1.87 -0.70 119.26 121.53 2grh h ALA 108 Ca -0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2grh h ALA 108 Cb 1.29 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2grh h ALA 108 CO 0.64 0.53 0.28 0.00 0.00 0.00 0.00 179.25 180.70 2grh h ALA 109 N 1.29 0.81 -0.26 0.00 0.00 -1.95 -2.19 119.26 116.97 2grh h ALA 109 Ca 0.31 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 2grh h ALA 109 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2grh h ALA 109 CO -0.06 0.39 -0.34 0.93 0.00 0.00 0.00 179.25 180.17 2grh h GLU 110 N 0.86 0.56 -0.26 0.00 5.08 -1.82 -2.62 114.58 116.38 2grh h GLU 110 Ca 0.21 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2grh h GLU 110 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2grh h GLU 110 CO -0.02 0.83 -0.03 0.35 -1.00 0.00 0.00 179.01 179.14 2grh h PHE 111 N 0.48 0.41 0.00 4.33 3.04 -0.87 -1.69 116.94 122.63 2grh h PHE 111 Ca 0.05 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2grh h PHE 111 Cb 0.82 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.21 2grh h PHE 111 CO 0.03 0.44 0.00 0.41 -2.02 0.00 0.00 178.31 177.17 2grh n GLY 112 N -0.94 -0.87 0.16 2.40 0.00 -0.85 -2.37 105.19 102.73 2grh n GLY 112 Ca 0.01 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2grh n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2grh h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.35 -2.03 116.57 116.37 2grh h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2grh h LYS 113 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2grh h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 2grh h ILE 114 N 0.00 0.00 -0.75 1.86 6.09 -1.68 -3.22 117.51 119.82 2grh h ILE 114 Ca 0.00 -0.44 -0.01 0.00 -1.37 0.00 0.00 64.86 63.04 2grh h ILE 114 Cb 0.22 1.32 -0.04 0.00 0.47 0.00 0.00 36.82 38.80 2grh h ILE 114 CO 0.00 0.00 0.43 0.78 -3.07 0.00 0.00 178.15 176.29 2grh h ASN 115 N 0.00 0.91 0.48 2.19 2.35 -1.61 -1.64 115.58 118.25 2grh h ASN 115 Ca 0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2grh h ASN 115 Cb 0.54 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2grh h ASN 115 CO 0.00 0.71 -0.23 1.23 -1.65 0.00 0.00 177.43 177.49 2grh h GLY 116 N 1.07 -0.67 0.85 2.83 0.00 -1.78 -0.98 103.07 104.40 2grh h GLY 116 Ca 0.27 0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.89 2grh h GLY 116 CO -0.05 -0.24 0.64 -2.55 0.00 0.00 0.00 176.54 174.34 2grh h PRO 117 N -0.65 1.19 -0.50 4.80 0.11 -1.71 -1.55 132.00 133.70 2grh h PRO 117 Ca -0.07 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 2grh h PRO 117 Cb 0.49 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2grh h PRO 117 CO 0.11 0.79 0.24 0.82 -0.21 0.00 0.00 178.00 179.74 2grh h ILE 118 N 1.23 1.20 -1.00 4.15 2.04 -1.16 -0.46 117.51 123.51 2grh h ILE 118 Ca 0.40 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2grh h ILE 118 Cb 0.03 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 2grh h ILE 118 CO -0.13 0.22 0.66 0.50 0.00 0.00 0.00 178.15 179.40 2grh h LYS 119 N 0.67 1.30 -0.29 2.37 3.64 -0.57 -0.44 116.57 123.25 2grh h LYS 119 Ca 0.17 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 2grh h LYS 119 Cb 0.13 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2grh h LYS 119 CO -0.02 0.86 -0.24 0.87 -2.27 0.00 0.00 179.45 178.65 2grh h LYS 120 N 1.34 0.67 -0.69 1.90 1.57 -0.81 -1.36 116.57 119.18 2grh h LYS 120 Ca 0.38 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2grh h LYS 120 Cb -0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2grh h LYS 120 CO -0.09 0.94 0.20 0.28 -0.57 0.00 0.00 179.45 180.21 2grh h VAL 121 N 0.41 1.26 -0.53 0.50 2.07 -0.85 -1.37 116.25 117.73 2grh h VAL 121 Ca 0.05 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2grh h VAL 121 Cb 0.80 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2grh h VAL 121 CO 0.06 0.35 0.28 -0.07 0.02 0.00 0.00 177.57 178.21 2grh h LEU 122 N 1.01 0.68 -1.42 2.57 3.38 -1.02 -2.56 115.31 117.96 2grh h LEU 122 Ca 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2grh h LEU 122 Cb 0.32 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2grh h LEU 122 CO -0.00 0.59 0.34 0.00 0.09 0.00 0.00 178.44 179.45 2grh h ALA 123 N 1.12 1.57 0.00 1.53 0.00 -0.86 -0.30 119.26 122.32 2grh h ALA 123 Ca 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2grh h ALA 123 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2grh h ALA 123 CO -0.03 0.39 -0.01 0.66 0.00 0.00 0.00 179.25 180.26 2grh h SER 124 N 0.75 0.00 -0.38 0.00 4.64 -0.83 0.70 113.55 118.43 2grh h SER 124 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2grh h SER 124 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2grh h SER 124 CO -0.04 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 2grh n LYS 125 N -3.19 3.06 -2.17 4.77 4.76 -0.39 -4.97 118.16 120.03 2grh n LYS 125 Ca -0.02 -2.49 -0.12 0.00 -2.87 0.00 0.00 58.31 52.81 2grh n LYS 125 Cb 0.14 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2grh n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2grh n ASN 126 N 0.30 -3.87 -4.52 4.39 5.03 0.24 -5.00 115.26 111.83 2grh n ASN 126 Ca 0.18 0.01 -0.41 0.00 0.87 0.00 0.00 54.58 55.23 2grh n ASN 126 Cb 0.68 -3.04 -0.10 0.00 -1.02 0.00 0.00 39.78 36.30 2grh n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2grh s PHE 127 N -2.59 3.22 0.00 3.10 0.08 -0.26 -4.97 117.98 116.56 2grh s PHE 127 Ca 0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.82 2grh s PHE 127 Cb 0.00 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 2grh s PHE 127 CO 0.00 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.10 2grh n GLY 128 N 5.08 -0.96 0.38 4.36 0.00 -1.26 -3.26 105.19 109.52 2grh n GLY 128 Ca -0.11 -1.63 0.15 0.00 0.00 0.00 0.00 46.02 44.43 2grh n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2grh h ASP 129 N -0.02 0.62 -0.76 1.61 3.32 -1.97 -0.90 116.42 118.32 2grh h ASP 129 Ca 0.00 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.17 2grh h ASP 129 Cb 0.00 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 2grh h ASP 129 CO 0.00 0.25 0.45 0.50 -1.72 0.00 0.00 179.24 178.72 2grh h LYS 130 N 0.62 0.80 -0.22 3.56 3.64 -1.99 0.46 116.57 123.44 2grh h LYS 130 Ca 0.52 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.67 2grh h LYS 130 Cb 0.98 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2grh h LYS 130 CO -0.27 0.53 -0.57 1.88 -2.27 0.00 0.00 179.45 178.75 2grh h TYR 131 N 0.82 0.85 -0.69 1.91 0.05 -1.51 -2.26 116.97 116.14 2grh h TYR 131 Ca 0.33 -0.31 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 2grh h TYR 131 Cb 0.17 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 2grh h TYR 131 CO -0.05 1.09 0.18 0.00 -1.05 0.00 0.00 178.16 178.32 2grh h ALA 132 N 0.85 1.01 -0.65 3.88 0.00 -0.75 -1.72 119.26 121.88 2grh h ALA 132 Ca 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 2grh h ALA 132 Cb 1.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2grh h ALA 132 CO 0.11 0.65 0.14 -0.91 0.00 0.00 0.00 179.25 179.24 2grh h ASN 133 N 1.04 0.98 -0.54 0.00 2.35 -0.81 -0.89 115.58 117.70 2grh h ASN 133 Ca 0.22 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2grh h ASN 133 Cb 0.34 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2grh h ASN 133 CO -0.00 0.95 0.20 0.00 -1.65 0.00 0.00 177.43 176.93 2grh h ALA 134 N 1.17 0.70 -0.12 -0.83 0.00 -0.98 -2.21 119.26 116.99 2grh h ALA 134 Ca 0.20 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2grh h ALA 134 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2grh h ALA 134 CO 0.00 0.33 -0.33 -1.49 0.00 0.00 0.00 179.25 177.77 2grh h TRP 135 N 0.74 0.27 -0.00 0.00 4.06 -1.04 -2.10 115.95 117.88 2grh h TRP 135 Ca 0.18 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 2grh h TRP 135 Cb 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 2grh h TRP 135 CO 0.01 0.55 -0.31 0.00 -3.56 0.00 0.00 178.44 175.13 2grh h ALA 136 N 1.45 1.49 -0.23 1.49 0.00 -0.77 -0.75 119.26 121.93 2grh h ALA 136 Ca 0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2grh h ALA 136 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2grh h ALA 136 CO 0.05 0.39 -0.43 0.87 0.00 0.00 0.00 179.25 180.13 2grh h LYS 137 N 0.00 0.57 -0.23 0.00 1.57 -0.78 -0.87 116.57 116.83 2grh h LYS 137 Ca -0.00 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.36 2grh h LYS 137 Cb 0.54 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2grh h LYS 137 CO 0.04 0.89 -0.32 1.25 -0.57 0.00 0.00 179.45 180.74 2grh h LEU 138 N 0.46 0.69 -1.48 2.94 5.85 -1.01 -2.89 115.31 119.87 2grh h LEU 138 Ca 0.04 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 2grh h LEU 138 Cb 0.94 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2grh h LEU 138 CO 0.08 1.06 0.28 0.58 -0.34 0.00 0.00 178.44 180.10 2grh h VAL 139 N 0.34 1.13 0.00 1.05 2.07 -1.06 -1.08 116.25 118.70 2grh h VAL 139 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2grh h VAL 139 Cb 0.90 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2grh h VAL 139 CO 0.08 0.14 -0.10 0.00 0.02 0.00 0.00 177.57 177.70 2grh h ALA 140 N 1.67 1.34 -0.47 1.67 0.00 -0.95 -0.95 119.26 121.56 2grh h ALA 140 Ca 0.17 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2grh h ALA 140 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2grh h ALA 140 CO -0.03 0.13 -0.11 0.28 0.00 0.00 0.00 179.25 179.52 2grh h VAL 141 N 0.00 1.27 -0.38 0.00 2.07 -1.05 -1.69 116.25 116.47 2grh h VAL 141 Ca -0.00 -1.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.15 2grh h VAL 141 Cb 0.29 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2grh h VAL 141 CO 0.01 0.43 -0.31 0.58 0.02 0.00 0.00 177.57 178.30 2grh h VAL 142 N 0.76 1.28 0.00 2.57 2.07 -1.28 -2.83 116.25 118.81 2grh h VAL 142 Ca 0.12 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 2grh h VAL 142 Cb 0.66 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2grh h VAL 142 CO 0.05 0.49 -0.08 1.56 0.02 0.00 0.00 177.57 179.60 2grh h GLN 143 N 0.70 0.00 0.00 1.57 4.20 -0.96 -0.22 115.11 120.40 2grh h GLN 143 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2grh h GLN 143 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2grh h GLN 143 CO 0.07 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.32 2grh h ALA 144 N 1.92 1.00 -0.02 3.87 0.00 -1.05 -2.09 119.26 122.89 2grh h ALA 144 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2grh h ALA 144 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2grh h ALA 144 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.05 2grh n ALA 145 N -1.93 2.96 0.53 0.00 0.00 -0.10 -4.55 120.51 117.42 2grh n ALA 145 Ca 0.01 -0.62 0.06 0.00 0.00 0.00 0.00 53.44 52.89 2grh n ALA 145 Cb 0.22 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 18.85 2grh n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78