#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmq s VAL 2 N 0.00 4.73 -0.50 2.53 1.01 -1.26 -4.65 120.40 122.26 1gmq s VAL 2 Ca 0.00 1.67 0.22 0.00 0.00 0.00 0.00 61.98 63.87 1gmq s VAL 2 Cb 0.00 -4.13 0.23 0.00 0.00 0.00 0.00 36.38 32.48 1gmq s VAL 2 CO 0.00 0.35 1.67 -1.20 0.00 0.00 0.00 175.10 175.92 1gmq n SER 3 N 2.87 0.59 0.00 3.32 7.64 0.10 -4.98 113.62 123.16 1gmq n SER 3 Ca -0.02 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1gmq n SER 3 Cb 0.50 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1gmq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gmq n GLY 4 N -0.17 0.01 3.61 0.23 0.00 -1.26 -5.03 105.19 102.58 1gmq n GLY 4 Ca 0.02 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1gmq n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gmq s THR 5 N -2.55 3.78 -0.02 2.61 2.01 -1.26 -0.85 115.64 119.36 1gmq s THR 5 Ca 0.00 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1gmq s THR 5 Cb 0.00 -2.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.89 1gmq s THR 5 CO 0.00 0.46 -0.11 0.54 -0.69 0.00 0.00 174.62 174.82 1gmq s VAL 6 N -0.96 0.88 0.35 3.82 0.11 0.91 -4.90 120.40 120.61 1gmq s VAL 6 Ca 0.16 -0.44 -0.27 0.00 -2.93 0.00 0.00 61.98 58.50 1gmq s VAL 6 Cb -0.11 -0.76 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 1gmq s VAL 6 CO 0.06 0.26 1.16 0.00 -3.33 0.00 0.00 175.10 173.25 1gmq h LEU 8 N 3.15 0.59 -1.67 0.00 5.85 -0.66 -1.22 115.31 121.36 1gmq h LEU 8 Ca -0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1gmq h LEU 8 Cb 1.22 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1gmq h LEU 8 CO 0.64 0.36 0.00 0.77 -0.34 0.00 0.00 178.44 179.88 1gmq h SER 9 N 0.66 0.00 0.74 1.25 4.64 -1.70 -2.11 113.55 117.02 1gmq h SER 9 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1gmq h SER 9 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1gmq h SER 9 CO -0.12 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.28 1gmq n ALA 10 N -1.98 3.12 -2.09 5.18 0.00 -0.46 -4.93 120.51 119.34 1gmq n ALA 10 Ca -0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 1gmq n ALA 10 Cb 0.20 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1gmq n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gmq s LEU 11 N -3.74 3.28 0.53 0.00 1.43 -0.79 -5.02 118.68 114.37 1gmq s LEU 11 Ca 0.08 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.31 1gmq s LEU 11 Cb 0.15 -3.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.15 1gmq s LEU 11 CO 0.71 -1.08 1.08 -2.65 0.23 0.00 0.00 176.35 174.63 1gmq n PRO 12 N -2.43 1.25 -0.04 1.29 -0.02 -1.26 -4.85 135.00 128.93 1gmq n PRO 12 Ca 0.05 0.46 0.16 0.00 -2.02 0.00 0.00 63.50 62.16 1gmq n PRO 12 Cb 0.59 -2.24 0.59 0.00 -0.02 0.00 0.00 33.50 32.42 1gmq n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gmq h PRO 13 N 1.05 0.20 0.00 0.52 0.13 -1.95 -0.80 132.00 131.14 1gmq h PRO 13 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1gmq h PRO 13 Cb 1.34 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1gmq h PRO 13 CO 0.54 0.13 -0.03 0.93 -0.23 0.00 0.00 178.00 179.34 1gmq h GLU 14 N 0.20 0.00 -0.69 0.86 3.07 -1.88 -1.36 114.58 114.77 1gmq h GLU 14 Ca 0.27 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 1gmq h GLU 14 Cb 0.78 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 1gmq h GLU 14 CO -0.05 0.03 0.27 0.00 -1.40 0.00 0.00 179.01 177.87 1gmq h ALA 15 N 1.97 0.90 -0.75 3.43 0.00 -1.48 0.05 119.26 123.38 1gmq h ALA 15 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1gmq h ALA 15 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1gmq h ALA 15 CO 0.00 0.53 0.26 1.15 0.00 0.00 0.00 179.25 181.19 1gmq h THR 16 N 0.99 1.26 -0.26 0.00 2.02 -1.38 -1.23 112.91 114.30 1gmq h THR 16 Ca 0.23 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1gmq h THR 16 Cb 0.22 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1gmq h THR 16 CO -0.02 0.35 0.17 0.44 0.37 0.00 0.00 175.52 176.82 1gmq h ASP 17 N 1.10 0.28 -0.61 4.18 3.32 -1.34 -1.60 116.42 121.75 1gmq h ASP 17 Ca 0.24 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1gmq h ASP 17 Cb 0.27 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1gmq h ASP 17 CO -0.01 0.20 0.27 0.74 -1.72 0.00 0.00 179.24 178.72 1gmq h THR 18 N 0.34 1.22 -0.88 0.35 2.02 -0.71 -1.08 112.91 114.17 1gmq h THR 18 Ca 0.10 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1gmq h THR 18 Cb -0.02 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1gmq h THR 18 CO -0.03 0.26 0.58 -0.07 0.37 0.00 0.00 175.52 176.63 1gmq h LEU 19 N 0.84 1.01 -0.58 2.58 3.38 -0.94 -0.03 115.31 121.57 1gmq h LEU 19 Ca 0.21 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1gmq h LEU 19 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1gmq h LEU 19 CO -0.02 0.74 0.11 0.78 0.09 0.00 0.00 178.44 180.14 1gmq h ASN 20 N 1.19 0.91 -0.11 -0.43 2.35 -0.94 -0.94 115.58 117.61 1gmq h ASN 20 Ca 0.32 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1gmq h ASN 20 Cb -0.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 1gmq h ASN 20 CO -0.07 0.93 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.36 1gmq h LEU 21 N 0.85 0.52 -0.49 1.61 3.38 -0.56 -2.63 115.31 118.00 1gmq h LEU 21 Ca 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1gmq h LEU 21 Cb 0.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1gmq h LEU 21 CO 0.01 0.74 0.13 0.40 0.09 0.00 0.00 178.44 179.81 1gmq h ILE 22 N 0.47 1.24 -0.72 1.22 2.04 -0.70 0.53 117.51 121.59 1gmq h ILE 22 Ca 0.07 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1gmq h ILE 22 Cb 0.63 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1gmq h ILE 22 CO 0.04 0.29 0.41 0.00 0.00 0.00 0.00 178.15 178.90 1gmq h ALA 23 N 1.00 0.97 -0.01 1.87 0.00 -0.91 -2.08 119.26 120.10 1gmq h ALA 23 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1gmq h ALA 23 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gmq h ALA 23 CO -0.00 0.09 -0.07 -1.13 0.00 0.00 0.00 179.25 178.14 1gmq n SER 24 N -4.76 1.02 -3.44 0.00 3.41 -1.01 -4.93 113.62 103.91 1gmq n SER 24 Ca 0.10 -1.15 -0.23 0.00 -0.26 0.00 0.00 58.87 57.33 1gmq n SER 24 Cb 0.19 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1gmq n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gmq n ASP 25 N -0.35 -6.12 0.00 4.04 2.03 -0.36 -4.72 116.55 111.08 1gmq n ASP 25 Ca 0.18 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.97 1gmq n ASP 25 Cb 0.31 -4.80 0.00 0.00 -0.72 0.00 0.00 41.12 35.90 1gmq n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gmq n GLY 26 N -1.93 -0.48 3.76 0.27 0.00 0.17 -4.77 105.19 102.21 1gmq n GLY 26 Ca 0.01 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 1gmq n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gmq s PRO 27 N 0.00 3.62 0.15 1.61 0.05 -1.26 -4.92 135.00 134.25 1gmq s PRO 27 Ca 0.00 2.10 -0.04 0.00 0.05 0.00 0.00 61.00 63.11 1gmq s PRO 27 Cb 0.00 -2.49 -0.05 0.00 0.05 0.00 0.00 34.50 32.00 1gmq s PRO 27 CO 0.00 -0.76 0.38 -0.06 0.05 0.00 0.00 177.00 176.61 1gmq s PHE 28 N -1.35 3.47 0.28 0.56 0.08 -1.26 -5.02 117.98 114.74 1gmq s PHE 28 Ca 0.64 0.55 0.05 0.00 0.12 0.00 0.00 56.93 58.28 1gmq s PHE 28 Cb -0.37 -2.00 0.41 0.00 -0.57 0.00 0.00 43.02 40.49 1gmq s PHE 28 CO 0.45 0.42 1.68 -1.00 -0.10 0.00 0.00 175.22 176.68 1gmq h PRO 29 N 2.72 0.33 -6.60 0.24 0.13 -1.98 -3.45 132.00 123.38 1gmq h PRO 29 Ca -0.46 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 63.85 1gmq h PRO 29 Cb 1.17 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 1gmq h PRO 29 CO 0.72 0.67 -0.76 0.71 -0.23 0.00 0.00 178.00 179.11 1gmq s TYR 30 N -4.20 2.67 0.16 1.56 2.02 -1.26 -5.01 117.35 113.28 1gmq s TYR 30 Ca -0.05 -0.19 0.33 0.00 -0.37 0.00 0.00 57.07 56.79 1gmq s TYR 30 Cb 0.13 -1.41 1.41 0.00 -0.40 0.00 0.00 41.96 41.69 1gmq s TYR 30 CO 0.78 0.40 2.00 0.66 -1.57 0.00 0.00 175.55 177.83 1gmq h SER 31 N 3.73 0.00 0.18 2.29 4.64 -2.05 -2.05 113.55 120.29 1gmq h SER 31 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gmq h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1gmq h SER 31 CO 0.50 0.03 -0.04 0.00 -0.87 0.00 0.00 176.83 176.45 1gmq n GLN 32 N -3.14 0.97 -2.15 4.77 1.13 -1.26 -4.85 117.38 112.86 1gmq n GLN 32 Ca 0.00 -0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 54.37 1gmq n GLN 32 Cb 0.30 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 1gmq n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1gmq s ASP 33 N -2.22 6.81 0.00 1.08 1.01 -0.77 -3.05 116.67 119.53 1gmq s ASP 33 Ca 0.37 2.44 0.00 0.00 0.71 0.00 0.00 52.55 56.08 1gmq s ASP 33 Cb 0.21 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1gmq s ASP 33 CO 0.41 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.79 1gmq n GLY 34 N 2.71 0.70 3.81 0.21 0.00 0.10 -5.00 105.19 107.72 1gmq n GLY 34 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1gmq n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gmq s VAL 35 N -2.23 3.87 0.29 1.61 -7.23 -1.17 -4.67 120.40 110.87 1gmq s VAL 35 Ca 0.00 0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 60.60 1gmq s VAL 35 Cb 0.00 -3.35 -0.10 0.00 0.56 0.00 0.00 36.38 33.49 1gmq s VAL 35 CO 0.00 -0.68 1.36 -0.69 -0.31 0.00 0.00 175.10 174.78 1gmq s VAL 36 N -2.77 2.71 -0.20 1.32 1.01 -1.26 -0.44 120.40 120.77 1gmq s VAL 36 Ca 0.61 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 1gmq s VAL 36 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1gmq s VAL 36 CO 0.47 0.14 0.40 0.12 0.00 0.00 0.00 175.10 176.23 1gmq s PHE 37 N -0.66 3.38 -0.70 5.22 5.36 -0.11 -4.74 117.98 125.73 1gmq s PHE 37 Ca 0.53 0.62 0.26 0.00 -0.96 0.00 0.00 56.93 57.38 1gmq s PHE 37 Cb -0.40 -2.53 0.71 0.00 -0.34 0.00 0.00 43.02 40.46 1gmq s PHE 37 CO 0.49 -0.01 1.70 1.96 -1.46 0.00 0.00 175.22 177.90 1gmq h GLN 38 N 7.36 0.00 -6.29 10.12 4.20 -1.94 -3.41 115.11 125.15 1gmq h GLN 38 Ca -0.36 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.88 1gmq h GLN 38 Cb 1.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 1gmq h GLN 38 CO 0.72 0.00 -0.80 -1.71 -0.67 0.00 0.00 178.83 176.36 1gmq n ASN 39 N -2.29 -2.89 -0.27 1.46 5.15 -1.26 -4.84 115.26 110.31 1gmq n ASN 39 Ca 0.05 -0.84 0.09 0.00 -0.60 0.00 0.00 54.58 53.28 1gmq n ASN 39 Cb 0.44 -3.76 0.33 0.00 -0.53 0.00 0.00 39.78 36.26 1gmq n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1gmq h ARG 40 N -1.94 0.79 -0.34 1.20 3.08 -1.99 -1.45 114.38 113.72 1gmq h ARG 40 Ca -0.60 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1gmq h ARG 40 Cb 1.37 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1gmq h ARG 40 CO 0.64 0.52 0.00 0.39 -1.07 0.00 0.00 179.97 180.45 1gmq n GLU 41 N -4.54 2.07 -3.20 0.04 4.71 -1.26 -4.95 120.64 113.51 1gmq n GLU 41 Ca 0.16 -1.63 -0.22 0.00 -0.01 0.00 0.00 57.16 55.45 1gmq n GLU 41 Cb 0.36 -1.42 0.01 0.00 -1.01 0.00 0.00 31.44 29.38 1gmq n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1gmq n SER 42 N 0.84 -4.63 -0.18 1.62 7.64 -0.55 -4.87 113.62 113.49 1gmq n SER 42 Ca 0.17 -0.33 -0.11 0.00 1.01 0.00 0.00 58.87 59.61 1gmq n SER 42 Cb 0.43 -3.79 0.01 0.00 -1.01 0.00 0.00 64.21 59.85 1gmq n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1gmq h VAL 43 N -1.10 1.27 -2.67 0.44 2.07 -1.93 -3.41 116.25 110.92 1gmq h VAL 43 Ca -0.46 -1.33 -0.47 0.00 0.82 0.00 0.00 66.70 65.26 1gmq h VAL 43 Cb 1.32 1.03 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1gmq h VAL 43 CO 0.54 0.47 -0.20 -0.76 0.02 0.00 0.00 177.57 177.63 1gmq s LEU 44 N -9.15 3.96 0.35 2.57 1.43 -1.26 -0.58 118.68 116.00 1gmq s LEU 44 Ca -0.11 0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 1gmq s LEU 44 Cb 0.13 -3.21 -0.12 0.00 0.03 0.00 0.00 46.19 43.02 1gmq s LEU 44 CO 0.87 -0.37 1.05 -2.65 0.23 0.00 0.00 176.35 175.48 1gmq n PRO 45 N -1.80 1.48 -1.88 1.29 -0.02 -1.26 -4.88 135.00 127.93 1gmq n PRO 45 Ca -0.04 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1gmq n PRO 45 Cb 0.57 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1gmq n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gmq s THR 46 N -1.16 2.47 0.15 3.45 2.01 -1.26 -4.99 115.64 116.31 1gmq s THR 46 Ca 0.60 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.89 1gmq s THR 46 Cb -0.62 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 1gmq s THR 46 CO 0.59 0.03 0.16 -1.10 -0.69 0.00 0.00 174.62 173.61 1gmq s GLN 47 N 1.19 1.04 0.68 4.92 -1.52 -1.26 -5.14 119.66 119.56 1gmq s GLN 47 Ca 0.71 -1.33 -0.15 0.00 -1.95 0.00 0.00 55.36 52.64 1gmq s GLN 47 Cb -0.45 0.30 0.01 0.00 -0.22 0.00 0.00 33.01 32.65 1gmq s GLN 47 CO 0.31 -0.34 1.15 -1.12 -0.25 0.00 0.00 175.29 175.05 1gmq s SER 48 N -3.02 4.76 0.19 5.90 0.01 -1.26 -4.91 113.70 115.38 1gmq s SER 48 Ca 0.21 2.17 -0.33 0.00 1.31 0.00 0.00 55.95 59.32 1gmq s SER 48 Cb 0.06 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.58 1gmq s SER 48 CO 0.01 -1.87 1.52 0.00 0.41 0.00 0.00 173.24 173.31 1gmq n TYR 49 N -2.46 2.27 0.00 2.43 4.19 -1.26 -2.24 117.16 120.09 1gmq n TYR 49 Ca 0.12 0.32 0.00 0.00 3.31 0.00 0.00 57.90 61.65 1gmq n TYR 49 Cb 0.51 -2.52 0.00 0.00 0.49 0.00 0.00 39.34 37.82 1gmq n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gmq n GLY 50 N 2.93 0.61 0.23 2.98 0.00 -1.26 -4.95 105.19 105.73 1gmq n GLY 50 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1gmq n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gmq h TYR 51 N 0.00 0.71 -3.26 1.61 5.03 -1.79 -3.44 116.97 115.83 1gmq h TYR 51 Ca 0.00 -0.21 -0.66 0.00 2.58 0.00 0.00 58.73 60.45 1gmq h TYR 51 Cb 0.00 -0.15 -0.12 0.00 1.55 0.00 0.00 36.73 38.01 1gmq h TYR 51 CO 0.00 0.91 -0.62 0.71 -1.32 0.00 0.00 178.16 177.84 1gmq s TYR 52 N -4.25 3.14 0.06 -3.82 2.02 -1.26 -3.17 117.35 110.07 1gmq s TYR 52 Ca -0.08 0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.75 1gmq s TYR 52 Cb 0.12 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 1gmq s TYR 52 CO 0.83 0.50 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.20 1gmq s HIS 53 N -1.18 0.86 0.10 2.71 3.76 -0.72 -0.93 115.29 119.88 1gmq s HIS 53 Ca 0.22 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.69 1gmq s HIS 53 Cb -0.12 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1gmq s HIS 53 CO 0.14 -0.05 -0.25 -1.83 -0.85 0.00 0.00 174.74 171.90 1gmq s GLU 54 N -1.95 1.38 0.01 1.40 -1.05 0.41 -0.50 118.70 118.40 1gmq s GLU 54 Ca -0.05 -1.22 0.02 0.00 -0.15 0.00 0.00 54.97 53.57 1gmq s GLU 54 Cb -0.08 -1.73 -0.01 0.00 -0.44 0.00 0.00 34.13 31.87 1gmq s GLU 54 CO 0.00 0.42 -0.06 0.71 0.95 0.00 0.00 175.26 177.28 1gmq s TYR 55 N -1.02 0.50 0.33 4.83 1.51 0.34 0.02 117.35 123.85 1gmq s TYR 55 Ca 0.11 -0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 55.71 1gmq s TYR 55 Cb -0.10 -0.31 -0.09 0.00 -0.11 0.00 0.00 41.96 41.35 1gmq s TYR 55 CO 0.05 -0.03 1.11 0.99 -1.11 0.00 0.00 175.55 176.56 1gmq s THR 56 N -0.43 3.43 -0.31 -0.71 2.01 -1.26 -1.37 115.64 117.00 1gmq s THR 56 Ca -0.01 1.31 -0.06 0.00 0.31 0.00 0.00 61.69 63.25 1gmq s THR 56 Cb -0.04 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.71 1gmq s THR 56 CO -0.00 0.22 0.06 -0.69 -0.69 0.00 0.00 174.62 173.52 1gmq s VAL 57 N -1.32 3.66 0.34 3.82 1.01 -0.49 -4.79 120.40 122.64 1gmq s VAL 57 Ca 0.50 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1gmq s VAL 57 Cb -0.30 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 1gmq s VAL 57 CO 0.38 -0.03 1.43 -0.63 0.00 0.00 0.00 175.10 176.25 1gmq s ILE 58 N 1.41 2.33 -0.38 2.22 1.01 -1.26 -4.36 121.20 122.17 1gmq s ILE 58 Ca -0.00 0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 1gmq s ILE 58 Cb -0.18 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.15 1gmq s ILE 58 CO 0.01 0.07 0.18 -0.89 0.00 0.00 0.00 174.94 174.32 1gmq s THR 59 N -0.94 3.83 0.30 2.92 2.01 -1.26 -4.77 115.64 117.73 1gmq s THR 59 Ca 0.53 -1.44 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 1gmq s THR 59 Cb -0.44 -3.33 -0.12 0.00 0.01 0.00 0.00 72.50 68.62 1gmq s THR 59 CO 0.57 -0.41 1.41 -2.65 -0.69 0.00 0.00 174.62 172.85 1gmq n PRO 60 N 4.80 2.28 0.00 4.92 -0.02 -1.26 -1.99 135.00 143.73 1gmq n PRO 60 Ca -0.10 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1gmq n PRO 60 Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1gmq n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gmq n GLY 61 N 1.48 2.63 3.82 -1.23 0.00 -1.26 -5.05 105.19 105.58 1gmq n GLY 61 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1gmq n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmq s ALA 62 N -2.13 3.07 -1.20 4.61 0.00 -0.84 -4.95 121.76 120.31 1gmq s ALA 62 Ca 0.00 0.39 0.25 0.00 0.00 0.00 0.00 51.96 52.60 1gmq s ALA 62 Cb 0.00 -3.13 0.54 0.00 0.00 0.00 0.00 23.12 20.52 1gmq s ALA 62 CO 0.00 0.14 1.43 2.89 0.00 0.00 0.00 175.76 180.22 1gmq n ARG 63 N -0.54 0.22 -2.90 0.00 1.85 -1.26 -4.92 116.66 109.11 1gmq n ARG 63 Ca 0.06 -0.13 -0.12 0.00 -1.00 0.00 0.00 57.85 56.67 1gmq n ARG 63 Cb 0.54 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.43 1gmq n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gmq n THR 64 N -1.28 0.00 0.34 8.89 -2.24 -1.26 -5.00 114.28 113.74 1gmq n THR 64 Ca 0.07 -0.88 0.10 0.00 -2.27 0.00 0.00 64.05 61.07 1gmq n THR 64 Cb 0.34 0.10 0.43 0.00 -2.10 0.00 0.00 70.33 69.10 1gmq n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gmq n ARG 65 N -0.55 0.13 0.00 -0.78 1.74 -1.26 -4.85 116.66 111.09 1gmq n ARG 65 Ca -0.07 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1gmq n ARG 65 Cb 0.24 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1gmq n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gmq n GLY 66 N -0.35 -0.75 0.26 -0.13 0.00 -1.26 -4.57 105.19 98.38 1gmq n GLY 66 Ca 0.02 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.90 1gmq n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmq n THR 67 N 0.00 0.34 -3.64 2.61 -2.24 -1.26 -4.96 114.28 105.13 1gmq n THR 67 Ca 0.00 -0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 60.75 1gmq n THR 67 Cb 0.00 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.07 1gmq n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gmq s ARG 68 N -0.65 4.02 0.09 -0.78 0.52 -1.26 -0.93 118.95 119.96 1gmq s ARG 68 Ca 0.08 0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.25 1gmq s ARG 68 Cb 0.05 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 1gmq s ARG 68 CO 0.07 0.43 0.19 1.03 0.02 0.00 0.00 175.30 177.04 1gmq s ARG 69 N -0.11 0.86 -0.14 3.54 1.81 0.05 -1.40 118.95 123.57 1gmq s ARG 69 Ca 0.16 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 1gmq s ARG 69 Cb -0.13 0.34 -0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1gmq s ARG 69 CO 0.04 -0.27 -0.16 0.42 -0.68 0.00 0.00 175.30 174.65 1gmq s ILE 70 N -3.87 2.65 -0.15 1.52 1.01 -0.47 -1.19 121.20 120.70 1gmq s ILE 70 Ca 0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1gmq s ILE 70 Cb 0.05 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1gmq s ILE 70 CO -0.10 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.65 1gmq s ILE 71 N 0.57 3.42 0.12 2.92 1.09 0.56 -0.51 121.20 129.38 1gmq s ILE 71 Ca -0.10 -0.53 0.05 0.00 -1.10 0.00 0.00 60.65 58.98 1gmq s ILE 71 Cb -0.16 -2.47 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 1gmq s ILE 71 CO 0.04 0.51 0.02 0.00 -0.10 0.00 0.00 174.94 175.40 1gmq s GLY 73 N -2.59 2.49 0.52 0.00 0.00 0.18 -1.76 107.32 106.16 1gmq s GLY 73 Ca 0.27 -1.29 0.31 0.00 0.00 0.00 0.00 44.72 44.00 1gmq s GLY 73 CO 0.19 -1.98 1.90 0.83 0.00 0.00 0.00 173.10 174.04 1gmq h GLU 74 N 1.04 0.00 -7.25 2.90 5.08 -1.85 -3.43 114.58 111.08 1gmq h GLU 74 Ca -0.40 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.45 1gmq h GLU 74 Cb 1.29 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.65 1gmq h GLU 74 CO 0.64 0.02 0.36 0.00 -1.00 0.00 0.00 179.01 179.02 1gmq s ALA 75 N -3.57 2.44 0.15 3.43 0.00 -1.26 -4.95 121.76 117.99 1gmq s ALA 75 Ca 0.02 0.41 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 1gmq s ALA 75 Cb 0.08 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.83 1gmq s ALA 75 CO 0.58 -1.39 1.42 0.95 0.00 0.00 0.00 175.76 177.31 1gmq s THR 76 N -2.58 3.10 0.00 0.00 -4.23 -1.26 -1.92 115.64 108.75 1gmq s THR 76 Ca 0.64 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.96 1gmq s THR 76 Cb -0.19 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1gmq s THR 76 CO 0.47 0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.62 1gmq n GLN 77 N 3.64 -0.60 -2.67 3.99 1.13 -1.26 -4.91 117.38 116.70 1gmq n GLN 77 Ca 0.11 0.15 -0.42 0.00 -1.94 0.00 0.00 57.00 54.90 1gmq n GLN 77 Cb 0.41 -3.78 -0.02 0.00 0.11 0.00 0.00 30.24 26.96 1gmq n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gmq s GLU 78 N -0.78 3.66 -0.08 -1.09 2.12 -0.81 -4.83 118.70 116.89 1gmq s GLU 78 Ca 0.00 -1.46 0.02 0.00 0.36 0.00 0.00 54.97 53.89 1gmq s GLU 78 Cb 0.00 -5.26 0.02 0.00 0.26 0.00 0.00 34.13 29.15 1gmq s GLU 78 CO 0.00 -2.09 -0.12 -0.51 -0.54 0.00 0.00 175.26 172.01 1gmq s ASP 79 N 4.45 1.97 0.00 -1.70 1.01 -1.26 -0.64 116.67 120.50 1gmq s ASP 79 Ca 0.43 -0.32 0.06 0.00 0.71 0.00 0.00 52.55 53.44 1gmq s ASP 79 Cb -0.01 -0.87 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 1gmq s ASP 79 CO -0.07 -0.00 -0.18 -0.31 0.21 0.00 0.00 175.17 174.82 1gmq s TYR 80 N 0.94 2.57 -0.09 4.23 2.02 0.75 -0.68 117.35 127.10 1gmq s TYR 80 Ca -0.09 -0.25 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 1gmq s TYR 80 Cb -0.15 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1gmq s TYR 80 CO 0.00 0.19 -0.01 -0.47 -1.57 0.00 0.00 175.55 173.70 1gmq s TYR 81 N -0.82 3.13 -0.04 2.71 5.04 0.11 -0.32 117.35 127.16 1gmq s TYR 81 Ca 0.13 0.14 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 1gmq s TYR 81 Cb -0.10 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.41 1gmq s TYR 81 CO 0.03 0.41 -0.10 -0.08 -1.34 0.00 0.00 175.55 174.47 1gmq s THR 82 N -0.75 0.93 -1.13 4.34 -1.32 -0.33 -0.87 115.64 116.50 1gmq s THR 82 Ca 0.12 -0.39 0.09 0.00 -1.21 0.00 0.00 61.69 60.29 1gmq s THR 82 Cb -0.11 -0.85 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1gmq s THR 82 CO 0.02 0.30 0.82 0.61 -2.21 0.00 0.00 174.62 174.16 1gmq n GLY 83 N 3.60 -0.33 2.02 6.08 0.00 -1.26 -0.77 105.19 114.53 1gmq n GLY 83 Ca -0.21 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1gmq n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gmq n ASP 84 N 0.51 2.94 -3.40 1.61 5.68 -1.19 -4.40 116.55 118.30 1gmq n ASP 84 Ca 0.06 -3.02 -0.17 0.00 -0.50 0.00 0.00 54.79 51.16 1gmq n ASP 84 Cb 0.24 -0.41 0.08 0.00 -1.14 0.00 0.00 41.12 39.90 1gmq n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1gmq n HIS 85 N -0.60 -2.24 -1.06 2.11 -0.00 -0.11 -3.22 115.22 110.11 1gmq n HIS 85 Ca 0.24 0.92 -0.02 0.00 -0.00 0.00 0.00 57.72 58.86 1gmq n HIS 85 Cb 0.89 -4.87 -0.01 0.00 -0.00 0.00 0.00 29.99 26.01 1gmq n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gmq n TYR 86 N -3.95 0.00 -0.03 1.57 4.01 -1.26 -4.89 117.16 112.60 1gmq n TYR 86 Ca -0.25 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.35 1gmq n TYR 86 Cb 0.66 -0.94 -0.11 0.00 -0.31 0.00 0.00 39.34 38.64 1gmq n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gmq h ALA 87 N 0.00 0.04 -3.11 -0.72 0.00 -1.96 -3.47 119.26 110.04 1gmq h ALA 87 Ca -0.04 -0.42 -0.40 0.00 0.00 0.00 0.00 54.91 54.05 1gmq h ALA 87 Cb 0.39 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.98 1gmq h ALA 87 CO 0.06 0.01 -0.76 0.95 0.00 0.00 0.00 179.25 179.51 1gmq s THR 88 N -3.33 1.17 0.04 0.00 -4.23 -1.26 -5.03 115.64 103.00 1gmq s THR 88 Ca -0.16 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1gmq s THR 88 Cb 0.01 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.54 1gmq s THR 88 CO 0.72 -0.35 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.03 1gmq s PHE 89 N -1.78 0.62 0.02 3.99 0.40 -1.26 -4.39 117.98 115.58 1gmq s PHE 89 Ca 0.03 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 1gmq s PHE 89 Cb -0.07 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 1gmq s PHE 89 CO 0.02 -0.11 -0.16 -1.12 0.70 0.00 0.00 175.22 174.56 1gmq s SER 90 N -1.64 1.85 0.09 1.36 0.01 -0.05 0.01 113.70 115.33 1gmq s SER 90 Ca -0.10 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.48 1gmq s SER 90 Cb -0.09 -0.16 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 1gmq s SER 90 CO -0.00 0.12 0.94 -0.22 0.41 0.00 0.00 173.24 174.49 1gmq s LEU 91 N -0.81 4.48 -0.08 2.44 2.96 -0.03 0.10 118.68 127.74 1gmq s LEU 91 Ca 0.04 1.74 -0.23 0.00 -0.22 0.00 0.00 54.13 55.46 1gmq s LEU 91 Cb -0.07 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1gmq s LEU 91 CO 0.01 -0.07 0.69 -0.63 -1.32 0.00 0.00 176.35 175.02 1gmq s ILE 92 N 0.08 5.05 -0.36 6.68 1.01 0.14 -0.06 121.20 133.74 1gmq s ILE 92 Ca 0.46 1.41 -0.09 0.00 0.00 0.00 0.00 60.65 62.43 1gmq s ILE 92 Cb -0.23 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1gmq s ILE 92 CO 0.29 0.24 0.15 -0.62 0.00 0.00 0.00 174.94 175.00 1gmq s ASP 93 N 0.82 5.51 0.00 3.58 -1.08 0.56 -4.76 116.67 121.29 1gmq s ASP 93 Ca 0.36 -1.07 0.27 0.00 -0.52 0.00 0.00 52.55 51.59 1gmq s ASP 93 Cb -0.17 -1.94 1.55 0.00 -1.46 0.00 0.00 42.92 40.90 1gmq s ASP 93 CO 0.17 -0.35 2.01 0.00 0.52 0.00 0.00 175.17 177.51 1gmq n GLN 94 N 4.90 1.06 0.00 4.34 6.02 -1.26 -0.66 117.38 131.78 1gmq n GLN 94 Ca -0.12 -0.09 0.12 0.00 -0.01 0.00 0.00 57.00 56.91 1gmq n GLN 94 Cb 0.45 -1.42 0.21 0.00 1.02 0.00 0.00 30.24 30.50 1gmq n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1gmq n THR 95 N -0.82 0.00 -0.93 5.09 -2.24 -1.26 -4.87 114.28 109.24 1gmq n THR 95 Ca 0.20 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1gmq n THR 95 Cb 0.11 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1gmq n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50