#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpq n ASP 3 N 0.00 0.00 -4.64 -1.12 2.03 -1.26 -5.09 116.55 106.47 1gpq n ASP 3 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1gpq n ASP 3 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1gpq n ASP 3 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1gpq s LEU 4 N 0.00 3.99 0.21 -2.67 2.96 -1.26 -4.75 118.68 117.16 1gpq s LEU 4 Ca 0.00 1.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.47 1gpq s LEU 4 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 1gpq s LEU 4 CO 0.00 -1.08 0.15 0.42 -1.32 0.00 0.00 176.35 174.53 1gpq s THR 5 N 4.52 0.00 0.30 3.68 -4.23 -1.26 -4.36 115.64 114.29 1gpq s THR 5 Ca 0.64 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1gpq s THR 5 Cb -0.23 -2.48 0.19 0.00 1.34 0.00 0.00 72.50 71.32 1gpq s THR 5 CO 0.25 0.00 1.89 0.40 -0.54 0.00 0.00 174.62 176.61 1gpq h ILE 6 N 2.59 1.21 -0.41 2.99 2.04 -1.92 -1.38 117.51 122.62 1gpq h ILE 6 Ca -0.35 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1gpq h ILE 6 Cb 1.25 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1gpq h ILE 6 CO 0.52 0.26 0.22 -1.28 0.00 0.00 0.00 178.15 177.86 1gpq h SER 7 N 0.80 0.51 -0.29 1.72 0.87 -1.86 -1.88 113.55 113.42 1gpq h SER 7 Ca 0.19 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1gpq h SER 7 Cb 0.17 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1gpq h SER 7 CO -0.02 0.46 -0.16 0.77 -0.53 0.00 0.00 176.83 177.35 1gpq h SER 8 N 0.53 0.74 -0.73 6.23 4.64 -1.74 -2.76 113.55 120.46 1gpq h SER 8 Ca 0.14 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1gpq h SER 8 Cb 0.06 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.92 1gpq h SER 8 CO -0.02 0.91 0.38 -0.07 -0.87 0.00 0.00 176.83 177.15 1gpq h LEU 9 N 0.66 0.94 -1.70 5.97 3.38 -0.98 0.19 115.31 123.77 1gpq h LEU 9 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gpq h LEU 9 Cb 0.65 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1gpq h LEU 9 CO 0.05 0.77 -0.15 0.00 0.09 0.00 0.00 178.44 179.20 1gpq h ALA 10 N 1.37 1.73 0.00 1.53 0.00 -1.06 -3.15 119.26 119.69 1gpq h ALA 10 Ca 0.26 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1gpq h ALA 10 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1gpq h ALA 10 CO -0.04 0.19 -2.12 1.63 0.00 0.00 0.00 179.25 178.92 1gpq n LYS 11 N -4.34 0.67 -1.60 0.00 5.02 -0.77 -4.49 118.16 112.65 1gpq n LYS 11 Ca -0.03 -0.06 -0.47 0.00 -2.02 0.00 0.00 58.31 55.74 1gpq n LYS 11 Cb 0.22 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1gpq n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gpq n GLY 12 N 1.52 0.19 0.26 0.72 0.00 0.60 -4.75 105.19 103.72 1gpq n GLY 12 Ca -0.19 0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.38 1gpq n GLY 12 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gpq h GLU 13 N 3.41 0.17 -0.01 1.61 4.81 -1.90 0.19 114.58 122.85 1gpq h GLU 13 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1gpq h GLU 13 Cb 1.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1gpq h GLU 13 CO 0.70 0.19 -0.33 0.25 -0.73 0.00 0.00 179.01 179.10 1gpq n THR 14 N -4.43 0.00 0.00 0.32 -2.24 -1.26 -4.33 114.28 102.34 1gpq n THR 14 Ca -0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1gpq n THR 14 Cb 0.15 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1gpq n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gpq n THR 15 N -0.28 0.00 -0.34 4.28 -2.24 -1.00 -4.78 114.28 109.93 1gpq n THR 15 Ca 0.11 -0.29 -0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1gpq n THR 15 Cb 0.41 0.85 0.16 0.00 -2.10 0.00 0.00 70.33 69.64 1gpq n THR 15 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1gpq h LYS 16 N 0.00 1.21 -0.80 -0.78 2.10 -0.65 -0.78 116.57 116.87 1gpq h LYS 16 Ca 0.00 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 1gpq h LYS 16 Cb 0.00 -0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 31.02 1gpq h LYS 16 CO 0.00 0.80 0.37 0.00 -2.00 0.00 0.00 179.45 178.62 1gpq h ALA 17 N 1.43 1.13 -0.56 0.07 0.00 -1.85 -0.01 119.26 119.47 1gpq h ALA 17 Ca 0.36 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1gpq h ALA 17 Cb -0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1gpq h ALA 17 CO -0.09 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.81 1gpq h ALA 18 N 1.25 0.95 -0.42 0.00 0.00 -1.65 -1.33 119.26 118.06 1gpq h ALA 18 Ca 0.27 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1gpq h ALA 18 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1gpq h ALA 18 CO -0.03 0.63 -0.02 0.35 0.00 0.00 0.00 179.25 180.18 1gpq h PHE 19 N 0.88 0.83 -0.65 0.00 3.57 -0.73 -1.43 116.94 119.42 1gpq h PHE 19 Ca 0.16 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1gpq h PHE 19 Cb 0.51 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1gpq h PHE 19 CO 0.03 0.83 0.33 -0.91 -2.23 0.00 0.00 178.31 176.37 1gpq h ASN 20 N 0.59 0.80 -0.52 0.41 2.35 -0.73 -0.98 115.58 117.50 1gpq h ASN 20 Ca 0.12 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1gpq h ASN 20 Cb 0.51 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1gpq h ASN 20 CO 0.03 0.67 0.04 1.56 -1.65 0.00 0.00 177.43 178.07 1gpq h GLN 21 N 0.90 0.94 -0.60 0.81 4.20 -0.93 -1.41 115.11 119.02 1gpq h GLN 21 Ca 0.23 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1gpq h GLN 21 Cb 0.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1gpq h GLN 21 CO -0.03 0.91 0.22 1.98 -0.67 0.00 0.00 178.83 181.23 1gpq h MET 22 N 0.88 0.92 -0.13 1.46 4.05 -0.12 -3.15 114.93 118.83 1gpq h MET 22 Ca 0.17 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1gpq h MET 22 Cb 0.46 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1gpq h MET 22 CO 0.02 0.80 0.00 1.33 0.23 0.00 0.00 176.91 179.28 1gpq n VAL 23 N -4.43 0.15 -1.69 -5.77 0.24 -0.54 -3.58 118.33 102.71 1gpq n VAL 23 Ca 0.04 -0.45 -0.44 0.00 -2.04 0.00 0.00 64.34 61.45 1gpq n VAL 23 Cb 0.18 0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 1gpq n VAL 23 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1gpq n GLN 24 N 0.82 2.47 -0.24 7.34 7.27 -0.54 -1.41 117.38 133.09 1gpq n GLN 24 Ca 0.17 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1gpq n GLN 24 Cb 0.47 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 30.40 1gpq n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gpq n GLY 25 N 3.84 1.14 3.93 1.69 0.00 -1.26 -4.98 105.19 109.56 1gpq n GLY 25 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1gpq n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gpq s HIS 26 N -2.73 2.94 -0.53 1.61 3.76 -0.50 -5.07 115.29 114.77 1gpq s HIS 26 Ca 0.00 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 1gpq s HIS 26 Cb 0.00 -2.00 0.34 0.00 1.11 0.00 0.00 32.58 32.03 1gpq s HIS 26 CO 0.00 -0.01 0.90 0.36 -0.85 0.00 0.00 174.74 175.14 1gpq n LYS 27 N -1.56 2.72 -1.94 1.40 2.85 -1.26 -5.08 118.16 115.29 1gpq n LYS 27 Ca 0.01 -4.52 -0.37 0.00 -1.05 0.00 0.00 58.31 52.38 1gpq n LYS 27 Cb 0.59 -2.12 0.04 0.00 -0.65 0.00 0.00 35.03 32.89 1gpq n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1gpq s LEU 28 N -3.24 3.73 0.61 -5.58 1.43 -1.26 -4.95 118.68 109.43 1gpq s LEU 28 Ca 0.47 2.51 -0.18 0.00 -1.03 0.00 0.00 54.13 55.90 1gpq s LEU 28 Cb 0.30 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1gpq s LEU 28 CO -0.13 -1.60 1.23 -2.84 0.23 0.00 0.00 176.35 173.24 1gpq s PRO 29 N -3.18 2.82 0.60 1.29 0.02 -1.26 -4.88 135.00 130.41 1gpq s PRO 29 Ca 0.76 1.88 0.30 0.00 0.02 0.00 0.00 61.00 63.96 1gpq s PRO 29 Cb -0.34 -1.90 1.83 0.00 0.02 0.00 0.00 34.50 34.11 1gpq s PRO 29 CO 0.38 -1.34 2.23 0.00 -0.33 0.00 0.00 177.00 177.94 1gpq h ALA 30 N 0.73 1.55 0.00 -1.55 0.00 -2.03 -2.24 119.26 115.72 1gpq h ALA 30 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1gpq h ALA 30 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gpq h ALA 30 CO 0.54 -0.07 -0.00 0.11 0.00 0.00 0.00 179.25 179.84 1gpq h TRP 31 N 0.00 0.00 0.07 0.00 5.08 -1.97 -2.42 115.95 116.71 1gpq h TRP 31 Ca 0.02 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.98 1gpq h TRP 31 Cb 0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 1gpq h TRP 31 CO 0.00 0.00 -0.03 0.28 -1.28 0.00 0.00 178.44 177.41 1gpq h VAL 32 N 0.00 1.04 -0.01 0.12 2.07 -1.77 -0.67 116.25 117.04 1gpq h VAL 32 Ca -0.00 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1gpq h VAL 32 Cb 0.00 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1gpq h VAL 32 CO 0.00 0.10 -0.66 0.24 0.02 0.00 0.00 177.57 177.26 1gpq h MET 33 N -0.27 0.04 0.00 1.57 2.86 -1.69 -2.80 114.93 114.64 1gpq h MET 33 Ca -0.01 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1gpq h MET 33 Cb 0.23 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1gpq h MET 33 CO 0.02 0.69 -0.25 0.87 1.06 0.00 0.00 176.91 179.30 1gpq h LYS 34 N 0.03 0.00 0.00 1.72 1.79 -1.31 -3.44 116.57 115.35 1gpq h LYS 34 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1gpq h LYS 34 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1gpq h LYS 34 CO 0.09 0.25 0.00 0.41 -1.08 0.00 0.00 179.45 179.12 1gpq n GLY 35 N -0.24 0.69 0.00 3.86 0.00 -0.27 -5.03 105.19 104.20 1gpq n GLY 35 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1gpq n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpq n GLY 36 N 0.93 -0.12 3.67 -0.02 0.00 -1.17 -4.96 105.19 103.51 1gpq n GLY 36 Ca 0.00 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1gpq n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gpq s THR 37 N 0.12 4.38 0.33 2.61 2.01 -0.18 -4.80 115.64 120.12 1gpq s THR 37 Ca 0.00 1.68 0.03 0.00 0.31 0.00 0.00 61.69 63.71 1gpq s THR 37 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1gpq s THR 37 CO 0.00 -0.12 0.09 -0.72 -0.69 0.00 0.00 174.62 173.18 1gpq s TYR 38 N 3.19 1.82 0.23 4.92 -0.85 -1.26 -0.53 117.35 124.87 1gpq s TYR 38 Ca 0.52 -1.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 1gpq s TYR 38 Cb -0.21 -1.16 -0.05 0.00 0.38 0.00 0.00 41.96 40.92 1gpq s TYR 38 CO 0.14 -0.15 0.01 0.95 -1.52 0.00 0.00 175.55 174.97 1gpq s THR 39 N -3.38 0.94 0.58 -3.49 -4.23 -1.25 -5.05 115.64 99.76 1gpq s THR 39 Ca 0.34 -2.02 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 1gpq s THR 39 Cb 0.07 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1gpq s THR 39 CO 0.15 -0.30 1.28 -2.84 -0.54 0.00 0.00 174.62 172.37 1gpq s PRO 40 N -3.89 2.97 0.63 3.99 0.02 -1.26 -4.64 135.00 132.83 1gpq s PRO 40 Ca 0.29 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 63.16 1gpq s PRO 40 Cb 0.06 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1gpq s PRO 40 CO 0.09 -1.26 1.24 0.00 -0.33 0.00 0.00 177.00 176.73 1gpq s ALA 41 N -1.43 2.42 0.11 -1.55 0.00 -1.26 -4.88 121.76 115.18 1gpq s ALA 41 Ca 0.76 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.85 1gpq s ALA 41 Cb -0.36 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1gpq s ALA 41 CO 0.40 -1.42 -0.19 -0.65 0.00 0.00 0.00 175.76 173.91 1gpq s GLN 42 N -3.44 1.10 -0.15 0.00 -0.21 -0.04 -4.91 119.66 112.01 1gpq s GLN 42 Ca 0.79 -1.20 -0.08 0.00 0.02 0.00 0.00 55.36 54.89 1gpq s GLN 42 Cb -0.32 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1gpq s GLN 42 CO 0.37 0.27 0.14 0.95 -2.12 0.00 0.00 175.29 174.90 1gpq s THR 43 N -1.50 5.47 0.04 -0.19 -4.23 -1.26 0.44 115.64 114.41 1gpq s THR 43 Ca 0.08 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1gpq s THR 43 Cb -0.08 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.31 1gpq s THR 43 CO 0.04 0.55 -0.08 0.68 -0.54 0.00 0.00 174.62 175.27 1gpq s VAL 44 N -0.52 0.60 -0.14 2.29 -7.23 -0.22 -4.93 120.40 110.25 1gpq s VAL 44 Ca 0.13 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1gpq s VAL 44 Cb -0.12 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1gpq s VAL 44 CO 0.02 -0.30 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.47 1gpq s THR 45 N -1.22 2.81 -0.23 5.32 2.01 -1.26 -0.88 115.64 122.19 1gpq s THR 45 Ca -0.08 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1gpq s THR 45 Cb -0.09 -2.18 0.05 0.00 0.01 0.00 0.00 72.50 70.29 1gpq s THR 45 CO 0.01 0.52 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.57 1gpq s LEU 46 N 0.57 2.82 0.00 4.42 1.43 -0.44 -2.49 118.68 124.99 1gpq s LEU 46 Ca -0.09 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1gpq s LEU 46 Cb -0.16 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1gpq s LEU 46 CO 0.03 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1gpq n GLY 47 N 4.55 1.92 1.88 -3.19 0.00 -0.53 -2.17 105.19 107.64 1gpq n GLY 47 Ca -0.15 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1gpq n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gpq n ASP 48 N 7.50 4.62 -4.11 1.61 8.00 -1.26 -4.85 116.55 128.05 1gpq n ASP 48 Ca 0.00 -3.76 -0.24 0.00 0.71 0.00 0.00 54.79 51.50 1gpq n ASP 48 Cb 0.00 -0.36 -0.15 0.00 -0.02 0.00 0.00 41.12 40.59 1gpq n ASP 48 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1gpq s GLU 49 N -3.57 1.34 -0.14 -1.24 2.12 -0.92 -5.14 118.70 111.15 1gpq s GLU 49 Ca 0.50 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.21 1gpq s GLU 49 Cb 0.41 -1.25 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1gpq s GLU 49 CO 0.03 0.27 0.17 0.99 -0.54 0.00 0.00 175.26 176.18 1gpq s THR 50 N -0.17 5.42 0.05 -1.70 2.01 -1.26 -1.33 115.64 118.67 1gpq s THR 50 Ca 0.02 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.37 1gpq s THR 50 Cb -0.08 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1gpq s THR 50 CO 0.00 0.54 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.98 1gpq s TYR 51 N -0.48 1.58 -0.20 4.92 1.51 -0.06 -4.48 117.35 120.14 1gpq s TYR 51 Ca 0.14 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.68 1gpq s TYR 51 Cb -0.12 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1gpq s TYR 51 CO 0.03 0.09 0.29 -0.65 -1.11 0.00 0.00 175.55 174.20 1gpq s GLN 52 N -1.33 4.17 -0.12 -0.62 -1.52 0.50 -1.05 119.66 119.69 1gpq s GLN 52 Ca 0.05 0.02 0.01 0.00 -1.95 0.00 0.00 55.36 53.49 1gpq s GLN 52 Cb -0.09 -3.50 -0.01 0.00 -0.22 0.00 0.00 33.01 29.20 1gpq s GLN 52 CO 0.02 0.09 -0.17 0.08 -0.25 0.00 0.00 175.29 175.06 1gpq s VAL 53 N 0.94 2.69 0.10 1.09 1.01 0.17 -0.48 120.40 125.92 1gpq s VAL 53 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1gpq s VAL 53 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1gpq s VAL 53 CO 0.05 0.54 -0.01 -0.04 0.00 0.00 0.00 175.10 175.64 1gpq s MET 54 N 0.37 0.83 0.21 2.72 -1.94 -0.40 -0.86 119.30 120.23 1gpq s MET 54 Ca -0.13 -1.36 -0.08 0.00 -1.71 0.00 0.00 55.69 52.41 1gpq s MET 54 Cb -0.17 0.05 -0.02 0.00 2.01 0.00 0.00 34.83 36.70 1gpq s MET 54 CO 0.07 -0.13 0.32 -1.54 -0.01 0.00 0.00 175.02 173.72 1gpq s SER 55 N -3.02 0.02 0.01 3.03 1.04 -1.26 -0.78 113.70 112.73 1gpq s SER 55 Ca 0.16 -1.03 -0.28 0.00 0.48 0.00 0.00 55.95 55.27 1gpq s SER 55 Cb 0.07 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.74 1gpq s SER 55 CO -0.03 -0.97 0.69 0.00 0.98 0.00 0.00 173.24 173.90 1gpq s ALA 56 N -4.04 -1.73 0.25 5.32 0.00 -0.36 -3.89 121.76 117.32 1gpq s ALA 56 Ca 0.25 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.34 1gpq s ALA 56 Cb 0.03 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1gpq s ALA 56 CO 0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 175.76 175.27 1gpq s LYS 58 N -3.76 4.17 0.14 0.00 2.20 -0.56 -1.01 119.74 120.94 1gpq s LYS 58 Ca 0.28 2.42 -0.34 0.00 -0.36 0.00 0.00 55.97 57.96 1gpq s LYS 58 Cb 0.04 -3.74 -0.15 0.00 -1.51 0.00 0.00 37.83 32.47 1gpq s LYS 58 CO 0.10 -0.81 1.49 -2.30 -0.36 0.00 0.00 175.35 173.47 1gpq n PRO 59 N 6.12 1.83 -1.14 4.03 -0.02 -1.26 -1.33 135.00 143.24 1gpq n PRO 59 Ca 0.17 0.66 -0.05 0.00 -2.02 0.00 0.00 63.50 62.27 1gpq n PRO 59 Cb 0.40 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1gpq n PRO 59 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1gpq n HIS 60 N 3.02 0.00 -2.73 6.00 8.25 -1.26 -4.72 115.22 123.78 1gpq n HIS 60 Ca 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1gpq n HIS 60 Cb 0.26 -2.11 0.08 0.00 1.12 0.00 0.00 29.99 29.35 1gpq n HIS 60 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1gpq n ASP 61 N -0.90 0.08 -0.29 0.41 2.03 -0.44 -5.00 116.55 112.44 1gpq n ASP 61 Ca -0.05 -2.29 0.01 0.00 0.52 0.00 0.00 54.79 52.98 1gpq n ASP 61 Cb 0.48 0.10 0.14 0.00 -0.72 0.00 0.00 41.12 41.12 1gpq n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gpq n GLY 63 N -1.32 -1.09 0.10 0.00 0.00 -1.26 -3.68 105.19 97.95 1gpq n GLY 63 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1gpq n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpq n SER 64 N -1.39 0.66 -3.75 1.61 7.64 -0.62 -4.75 113.62 113.02 1gpq n SER 64 Ca 0.07 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.95 1gpq n SER 64 Cb 0.20 0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 63.64 1gpq n SER 64 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1gpq s GLN 65 N -2.53 0.20 0.19 1.43 -0.21 -1.18 -0.42 119.66 117.14 1gpq s GLN 65 Ca -0.12 0.45 -0.19 0.00 0.02 0.00 0.00 55.36 55.52 1gpq s GLN 65 Cb 0.07 -0.07 0.04 0.00 1.00 0.00 0.00 33.01 34.05 1gpq s GLN 65 CO 0.80 -0.13 0.55 -0.98 -2.12 0.00 0.00 175.29 173.40 1gpq s ARG 66 N 0.96 1.37 0.00 2.91 3.03 -0.46 -1.50 118.95 125.27 1gpq s ARG 66 Ca -0.07 -0.78 -0.03 0.00 2.03 0.00 0.00 55.73 56.88 1gpq s ARG 66 Cb -0.08 0.54 -0.01 0.00 -1.03 0.00 0.00 34.95 34.37 1gpq s ARG 66 CO -0.06 -0.59 0.04 -1.50 -1.13 0.00 0.00 175.30 172.07 1gpq s ILE 67 N -3.85 0.07 0.02 4.99 2.07 0.18 -1.00 121.20 123.68 1gpq s ILE 67 Ca 0.07 -0.60 0.05 0.00 -1.41 0.00 0.00 60.65 58.76 1gpq s ILE 67 Cb -0.01 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 1gpq s ILE 67 CO -0.05 -0.33 -0.16 0.00 -1.91 0.00 0.00 174.94 172.49 1gpq s ALA 68 N -1.03 1.36 0.00 1.50 0.00 -0.17 -1.23 121.76 122.19 1gpq s ALA 68 Ca -0.11 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1gpq s ALA 68 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1gpq s ALA 68 CO -0.00 0.30 -0.06 0.08 0.00 0.00 0.00 175.76 176.08 1gpq s VAL 69 N -0.64 0.49 -0.07 0.00 1.01 0.04 -0.65 120.40 120.58 1gpq s VAL 69 Ca 0.05 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1gpq s VAL 69 Cb -0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1gpq s VAL 69 CO 0.01 0.09 -0.25 0.00 0.00 0.00 0.00 175.10 174.95 1gpq s MET 70 N -0.28 2.69 -0.04 2.72 0.23 0.27 -1.27 119.30 123.63 1gpq s MET 70 Ca 0.01 -0.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.80 1gpq s MET 70 Cb -0.03 -2.19 0.01 0.00 -1.53 0.00 0.00 34.83 31.09 1gpq s MET 70 CO -0.00 0.31 -0.08 -0.46 -2.03 0.00 0.00 175.02 172.76 1gpq s TRP 71 N 0.01 0.96 -0.35 3.16 -0.00 0.36 -1.85 118.94 121.24 1gpq s TRP 71 Ca -0.09 -0.27 -0.04 0.00 -0.00 0.00 0.00 56.10 55.70 1gpq s TRP 71 Cb -0.15 -0.73 0.06 0.00 -0.00 0.00 0.00 33.47 32.65 1gpq s TRP 71 CO 0.05 -0.16 0.10 0.45 -0.00 0.00 0.00 176.95 177.39 1gpq s SER 72 N 0.49 5.15 0.14 5.86 0.15 -0.64 -0.37 113.70 124.48 1gpq s SER 72 Ca -0.08 -1.44 -0.18 0.00 0.70 0.00 0.00 55.95 54.95 1gpq s SER 72 Cb -0.12 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1gpq s SER 72 CO 0.01 -0.37 1.74 -0.08 1.20 0.00 0.00 173.24 175.74 1gpq h GLU 73 N 8.10 0.17 0.00 5.44 4.81 -1.86 -0.27 114.58 130.96 1gpq h GLU 73 Ca -0.20 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1gpq h GLU 73 Cb 1.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1gpq h GLU 73 CO 0.61 0.11 0.00 0.87 -0.73 0.00 0.00 179.01 179.87 1gpq h LYS 74 N 0.18 0.00 -0.01 1.92 1.57 -1.94 -3.02 116.57 115.26 1gpq h LYS 74 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1gpq h LYS 74 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1gpq h LYS 74 CO -0.16 0.00 -0.57 0.45 -0.57 0.00 0.00 179.45 178.60 1gpq n SER 75 N -2.51 1.82 -2.21 0.86 2.88 -0.95 -4.97 113.62 108.54 1gpq n SER 75 Ca 0.04 -1.41 -0.16 0.00 -1.33 0.00 0.00 58.87 56.00 1gpq n SER 75 Cb 0.37 0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 64.38 1gpq n SER 75 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1gpq n ASN 76 N -0.31 -4.77 -4.40 -3.46 4.13 -0.15 -4.96 115.26 101.34 1gpq n ASN 76 Ca 0.08 0.16 -0.32 0.00 1.68 0.00 0.00 54.58 56.18 1gpq n ASN 76 Cb 0.44 -4.07 -0.14 0.00 -1.54 0.00 0.00 39.78 34.47 1gpq n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gpq s GLN 77 N -4.68 2.55 -0.08 3.52 -2.07 -1.11 -4.85 119.66 112.95 1gpq s GLN 77 Ca 0.00 -0.77 -0.01 0.00 -1.82 0.00 0.00 55.36 52.76 1gpq s GLN 77 Cb 0.00 -2.31 0.03 0.00 -1.09 0.00 0.00 33.01 29.64 1gpq s GLN 77 CO 0.00 0.52 -0.01 1.41 -1.32 0.00 0.00 175.29 175.89 1gpq s MET 78 N -0.48 0.75 0.11 9.60 1.75 -1.26 -1.62 119.30 128.15 1gpq s MET 78 Ca 0.06 0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.63 1gpq s MET 78 Cb -0.12 -1.06 -0.04 0.00 2.84 0.00 0.00 34.83 36.46 1gpq s MET 78 CO 0.01 -0.30 -0.20 0.99 -0.65 0.00 0.00 175.02 174.88 1gpq s THR 79 N 1.93 1.70 0.36 10.11 2.01 -0.77 -4.54 115.64 126.43 1gpq s THR 79 Ca 0.05 -1.59 -0.02 0.00 0.31 0.00 0.00 61.69 60.44 1gpq s THR 79 Cb -0.12 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1gpq s THR 79 CO -0.06 -0.11 0.49 -0.83 -0.69 0.00 0.00 174.62 173.43 1gpq s GLY 80 N -2.01 1.55 -0.10 4.40 0.00 -0.33 -0.57 107.32 110.26 1gpq s GLY 80 Ca 0.07 -1.55 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 1gpq s GLY 80 CO 0.04 -1.01 0.22 -2.27 0.00 0.00 0.00 173.10 170.09 1gpq s LEU 81 N -3.25 0.10 -0.06 0.66 2.96 0.18 -0.54 118.68 118.72 1gpq s LEU 81 Ca 0.31 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1gpq s LEU 81 Cb -0.01 0.56 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 1gpq s LEU 81 CO 0.21 -0.21 -0.04 0.12 -1.32 0.00 0.00 176.35 175.12 1gpq s PHE 82 N 1.89 3.02 -0.04 5.38 5.36 -0.00 -1.00 117.98 132.58 1gpq s PHE 82 Ca -0.03 0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.03 1gpq s PHE 82 Cb -0.12 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1gpq s PHE 82 CO -0.07 0.39 -0.03 0.45 -1.46 0.00 0.00 175.22 174.50 1gpq s SER 83 N -0.96 0.89 -0.07 6.13 0.15 -0.17 -0.57 113.70 119.09 1gpq s SER 83 Ca 0.14 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 56.72 1gpq s SER 83 Cb -0.11 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.81 1gpq s SER 83 CO 0.03 -0.08 -0.16 0.42 1.20 0.00 0.00 173.24 174.65 1gpq s THR 84 N 1.04 1.43 -0.23 6.45 -4.23 -0.54 -1.36 115.64 118.20 1gpq s THR 84 Ca -0.09 -0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1gpq s THR 84 Cb -0.14 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 1gpq s THR 84 CO -0.01 0.42 0.02 -0.63 -0.54 0.00 0.00 174.62 173.88 1gpq s ILE 85 N 0.49 3.90 0.17 2.99 1.01 0.44 -0.67 121.20 129.52 1gpq s ILE 85 Ca -0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 1gpq s ILE 85 Cb -0.16 -2.79 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 1gpq s ILE 85 CO 0.05 0.39 1.38 -0.62 0.00 0.00 0.00 174.94 176.13 1gpq s ASP 86 N 1.45 6.81 -0.08 3.58 3.68 -0.58 -4.83 116.67 126.71 1gpq s ASP 86 Ca 0.05 2.42 0.01 0.00 2.13 0.00 0.00 52.55 57.16 1gpq s ASP 86 Cb -0.15 -2.60 0.15 0.00 -1.45 0.00 0.00 42.92 38.87 1gpq s ASP 86 CO 0.01 -0.62 1.09 -1.84 0.13 0.00 0.00 175.17 173.93 1gpq n GLU 87 N 3.25 1.39 0.00 4.34 0.28 -1.26 -1.55 120.64 127.09 1gpq n GLU 87 Ca 0.09 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.45 1gpq n GLU 87 Cb 0.42 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1gpq n GLU 87 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1gpq n LYS 88 N 0.15 0.00 -0.01 3.44 5.02 -1.26 -4.91 118.16 120.59 1gpq n LYS 88 Ca 0.11 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1gpq n LYS 88 Cb 0.67 -0.39 -0.08 0.00 -0.02 0.00 0.00 35.03 35.22 1gpq n LYS 88 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1gpq n THR 89 N -0.84 0.08 -0.98 -0.18 -2.24 -1.24 -4.99 114.28 103.89 1gpq n THR 89 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1gpq n THR 89 Cb 0.00 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1gpq n THR 89 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1gpq n SER 90 N -1.93 -3.17 -4.77 3.42 7.64 -0.60 -5.00 113.62 109.22 1gpq n SER 90 Ca -0.04 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.46 1gpq n SER 90 Cb 0.34 -1.11 -0.03 0.00 -1.01 0.00 0.00 64.21 62.40 1gpq n SER 90 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1gpq s GLN 91 N -0.43 4.22 -0.26 1.43 -0.21 -1.26 -4.72 119.66 118.43 1gpq s GLN 91 Ca 0.00 1.81 -0.07 0.00 0.02 0.00 0.00 55.36 57.11 1gpq s GLN 91 Cb 0.00 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 1gpq s GLN 91 CO 0.00 -0.16 0.07 -2.00 -2.12 0.00 0.00 175.29 171.08 1gpq s GLU 92 N -2.11 3.46 -0.26 2.91 2.12 -1.26 -1.53 118.70 122.03 1gpq s GLU 92 Ca 0.54 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 55.17 1gpq s GLU 92 Cb -0.30 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1gpq s GLU 92 CO 0.38 -0.27 0.14 0.21 -0.54 0.00 0.00 175.26 175.18 1gpq s LYS 93 N 1.58 3.89 -0.06 4.30 2.20 0.15 -4.94 119.74 126.86 1gpq s LYS 93 Ca 0.05 -0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1gpq s LYS 93 Cb -0.16 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 1gpq s LYS 93 CO 0.03 -0.11 0.06 -0.51 -0.36 0.00 0.00 175.35 174.46 1gpq s LEU 94 N 1.50 3.84 -0.14 5.43 1.43 -1.26 -1.47 118.68 128.02 1gpq s LEU 94 Ca 0.07 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1gpq s LEU 94 Cb -0.15 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1gpq s LEU 94 CO 0.07 0.34 -0.14 -0.89 0.23 0.00 0.00 176.35 175.97 1gpq s THR 95 N -1.03 1.49 -0.06 5.49 2.01 0.26 -4.98 115.64 118.82 1gpq s THR 95 Ca 0.17 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.35 1gpq s THR 95 Cb -0.12 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1gpq s THR 95 CO 0.07 0.44 0.66 0.26 -0.69 0.00 0.00 174.62 175.36 1gpq s TRP 96 N 1.42 3.58 -0.37 4.92 0.52 -1.26 -0.82 118.94 126.93 1gpq s TRP 96 Ca 0.03 1.19 -0.09 0.00 0.02 0.00 0.00 56.10 57.25 1gpq s TRP 96 Cb -0.13 -2.74 0.04 0.00 -1.15 0.00 0.00 33.47 29.49 1gpq s TRP 96 CO -0.09 0.13 0.18 -0.51 0.02 0.00 0.00 176.95 176.68 1gpq s LEU 97 N 0.64 4.65 -1.35 2.99 1.43 0.30 -4.70 118.68 122.66 1gpq s LEU 97 Ca 0.35 -1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 1gpq s LEU 97 Cb -0.17 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1gpq s LEU 97 CO 0.17 -0.39 0.42 -3.20 0.23 0.00 0.00 176.35 173.58 1gpq n ASN 98 N 4.91 -2.08 -4.63 2.29 4.05 -1.24 -1.19 115.26 117.37 1gpq n ASN 98 Ca -0.12 -1.27 -0.43 0.00 0.45 0.00 0.00 54.58 53.22 1gpq n ASN 98 Cb 0.45 -1.79 -0.02 0.00 1.23 0.00 0.00 39.78 39.65 1gpq n ASN 98 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1gpq s VAL 99 N -3.87 4.53 0.67 3.44 1.01 -1.26 -4.58 120.40 120.34 1gpq s VAL 99 Ca 0.28 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 1gpq s VAL 99 Cb -0.15 -4.40 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1gpq s VAL 99 CO 0.97 -0.48 1.07 0.54 0.00 0.00 0.00 175.10 177.21 1gpq s ASN 100 N 1.68 5.77 0.38 3.32 2.20 -1.26 -4.85 114.94 122.18 1gpq s ASN 100 Ca 0.44 1.26 0.10 0.00 -0.94 0.00 0.00 52.86 53.72 1gpq s ASN 100 Cb -0.12 -2.17 0.87 0.00 -2.00 0.00 0.00 41.25 37.83 1gpq s ASN 100 CO 0.16 -1.15 1.91 -0.78 -2.94 0.00 0.00 177.10 174.30 1gpq h ASP 101 N -0.52 0.57 -0.08 3.54 1.82 -1.99 -0.94 116.42 118.82 1gpq h ASP 101 Ca -0.45 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.24 1gpq h ASP 101 Cb 1.23 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 1gpq h ASP 101 CO 0.63 0.32 0.06 0.00 -1.61 0.00 0.00 179.24 178.64 1gpq h ALA 102 N 1.62 2.00 -0.40 -0.78 0.00 -2.02 -1.61 119.26 118.07 1gpq h ALA 102 Ca 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1gpq h ALA 102 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gpq h ALA 102 CO -0.15 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1gpq n LEU 103 N -4.39 3.12 0.30 0.00 4.77 -0.42 -4.63 117.00 115.74 1gpq n LEU 103 Ca -0.01 -1.81 0.20 0.00 -0.03 0.00 0.00 56.01 54.36 1gpq n LEU 103 Cb 0.17 -0.26 0.99 0.00 -2.33 0.00 0.00 43.42 41.99 1gpq n LEU 103 CO 0.33 0.75 1.09 0.77 -1.33 0.00 0.00 177.39 179.00 1gpq h SER 104 N 2.90 0.00 0.00 -1.43 4.64 -0.59 -2.40 113.55 116.67 1gpq h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpq h SER 104 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1gpq h SER 104 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 1gpq n ILE 105 N -2.95 0.00 0.16 0.95 5.41 -1.26 -4.58 119.36 117.09 1gpq n ILE 105 Ca -0.02 0.06 0.02 0.00 1.00 0.00 0.00 62.75 63.81 1gpq n ILE 105 Cb 0.13 -0.99 0.35 0.00 -0.71 0.00 0.00 39.64 38.42 1gpq n ILE 105 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1gpq h ASP 106 N 0.00 0.07 -0.55 4.38 3.32 -1.87 -2.57 116.42 119.20 1gpq h ASP 106 Ca 0.00 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1gpq h ASP 106 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1gpq h ASP 106 CO 0.00 0.41 -0.00 1.23 -1.72 0.00 0.00 179.24 179.16 1gpq h GLY 107 N 1.06 1.06 1.01 2.75 0.00 -1.80 -0.63 103.07 106.51 1gpq h GLY 107 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1gpq h GLY 107 CO 0.05 0.72 0.57 0.50 0.00 0.00 0.00 176.54 178.38 1gpq h LYS 108 N 0.86 1.19 -0.40 4.80 1.57 -1.13 -0.59 116.57 122.86 1gpq h LYS 108 Ca 0.16 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1gpq h LYS 108 Cb 0.54 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1gpq h LYS 108 CO 0.03 0.80 0.19 1.15 -0.57 0.00 0.00 179.45 181.05 1gpq h THR 109 N 1.21 1.18 -0.37 -0.16 2.02 -1.07 -1.32 112.91 114.40 1gpq h THR 109 Ca 0.32 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1gpq h THR 109 Cb -0.11 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1gpq h THR 109 CO -0.07 0.19 0.18 0.58 0.37 0.00 0.00 175.52 176.78 1gpq h VAL 110 N 0.50 1.16 -0.78 3.16 2.07 -0.83 -0.74 116.25 120.80 1gpq h VAL 110 Ca 0.14 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1gpq h VAL 110 Cb 0.13 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1gpq h VAL 110 CO -0.02 0.17 0.42 -0.07 0.02 0.00 0.00 177.57 178.10 1gpq h LEU 111 N 0.47 0.97 -0.74 2.57 3.38 -0.96 -0.64 115.31 120.36 1gpq h LEU 111 Ca 0.13 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1gpq h LEU 111 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1gpq h LEU 111 CO -0.02 0.79 -0.11 0.15 0.09 0.00 0.00 178.44 179.35 1gpq h PHE 112 N 1.08 0.94 0.00 1.13 3.57 -1.06 -2.54 116.94 120.05 1gpq h PHE 112 Ca 0.27 -0.18 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1gpq h PHE 112 Cb 0.04 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1gpq h PHE 112 CO 0.00 0.91 -0.17 0.00 -2.23 0.00 0.00 178.31 176.82 1gpq h ALA 113 N 1.11 1.63 -0.13 2.41 0.00 -0.48 -0.51 119.26 123.29 1gpq h ALA 113 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1gpq h ALA 113 Cb 0.61 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1gpq h ALA 113 CO 0.04 0.21 -0.25 0.00 0.00 0.00 0.00 179.25 179.25 1gpq h ALA 114 N 1.83 1.33 0.08 0.00 0.00 -0.71 -2.22 119.26 119.57 1gpq h ALA 114 Ca -0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.32 1gpq h ALA 114 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1gpq h ALA 114 CO 0.02 0.46 -1.48 -0.07 0.00 0.00 0.00 179.25 178.18 1gpq h LEU 115 N 0.22 0.26 -0.55 0.00 3.38 -1.02 -3.35 115.31 114.24 1gpq h LEU 115 Ca 0.03 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1gpq h LEU 115 Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1gpq h LEU 115 CO 0.04 1.31 -0.66 0.71 0.09 0.00 0.00 178.44 179.93 1gpq h THR 116 N 0.05 1.38 0.00 0.22 1.35 -1.05 -3.47 112.91 111.38 1gpq h THR 116 Ca -0.21 -2.35 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1gpq h THR 116 Cb 1.97 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.70 1gpq h THR 116 CO 0.14 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 1gpq n GLY 117 N 0.59 1.14 0.30 5.82 0.00 -0.88 -4.99 105.19 107.16 1gpq n GLY 117 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1gpq n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gpq h SER 118 N 0.00 0.69 -0.46 1.61 0.02 -1.82 -2.03 113.55 111.57 1gpq h SER 118 Ca 0.00 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 1gpq h SER 118 Cb 0.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1gpq h SER 118 CO 0.00 0.69 -0.02 0.25 -1.14 0.00 0.00 176.83 176.61 1gpq h LEU 119 N 0.72 0.81 -0.95 5.07 5.85 -1.70 0.28 115.31 125.39 1gpq h LEU 119 Ca 0.16 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1gpq h LEU 119 Cb 0.28 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1gpq h LEU 119 CO -0.00 0.93 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.64 1gpq h GLU 120 N 0.67 0.70 0.00 1.25 5.08 -1.73 -2.54 114.58 118.01 1gpq h GLU 120 Ca 0.13 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1gpq h GLU 120 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1gpq h GLU 120 CO 0.03 0.76 -0.51 -0.91 -1.00 0.00 0.00 179.01 177.37 1gpq h ASN 121 N 0.65 0.00 -2.09 1.42 2.35 -1.27 -3.37 115.58 113.27 1gpq h ASN 121 Ca 0.12 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.29 1gpq h ASN 121 Cb 0.49 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.46 1gpq h ASN 121 CO 0.03 0.27 -0.87 1.41 -1.65 0.00 0.00 177.43 176.62 1gpq n HIS 122 N -3.07 1.55 -0.13 1.19 8.25 0.08 -4.98 115.22 118.11 1gpq n HIS 122 Ca 0.01 -3.84 0.26 0.00 -0.26 0.00 0.00 57.72 53.88 1gpq n HIS 122 Cb 0.65 -0.45 0.70 0.00 1.12 0.00 0.00 29.99 32.01 1gpq n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1gpq h PRO 123 N 4.05 0.03 -0.27 -0.41 0.13 -1.63 -0.74 132.00 133.16 1gpq h PRO 123 Ca 0.13 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1gpq h PRO 123 Cb 0.78 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1gpq h PRO 123 CO 0.64 0.02 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.17 1gpq n ASP 124 N -4.32 3.41 -1.04 1.44 8.00 -1.26 -4.59 116.55 118.19 1gpq n ASP 124 Ca 0.16 -3.23 0.12 0.00 0.71 0.00 0.00 54.79 52.55 1gpq n ASP 124 Cb 0.85 -0.56 0.21 0.00 -0.02 0.00 0.00 41.12 41.59 1gpq n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gpq n GLY 125 N -0.75 1.37 1.29 0.44 0.00 -0.28 -4.40 105.19 102.85 1gpq n GLY 125 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1gpq n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpq n PHE 126 N 1.33 0.53 -3.35 1.61 3.01 -1.26 -4.92 117.46 114.41 1gpq n PHE 126 Ca 0.18 -1.37 -0.45 0.00 1.01 0.00 0.00 57.45 56.81 1gpq n PHE 126 Cb 0.58 -0.23 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1gpq n PHE 126 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1gpq s ASN 127 N -2.98 7.26 0.33 4.37 0.01 -1.26 -4.47 114.94 118.19 1gpq s ASN 127 Ca 0.38 -3.56 -0.28 0.00 -0.71 0.00 0.00 52.86 48.69 1gpq s ASN 127 Cb 0.38 -2.20 -0.09 0.00 0.41 0.00 0.00 41.25 39.75 1gpq s ASN 127 CO -0.08 -0.30 1.13 -0.36 -1.51 0.00 0.00 177.10 175.99 1gpq s PHE 128 N -1.21 3.35 -2.00 2.20 0.40 -1.04 -4.93 117.98 114.76 1gpq s PHE 128 Ca 0.30 1.63 0.16 0.00 -0.60 0.00 0.00 56.93 58.42 1gpq s PHE 128 Cb -0.10 -3.33 0.95 0.00 0.51 0.00 0.00 43.02 41.05 1gpq s PHE 128 CO -0.08 -0.89 1.36 -2.13 0.70 0.00 0.00 175.22 174.18