#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gt7 n GLY 12 N 0.00 1.49 3.52 0.00 0.00 -1.26 -4.71 105.19 104.23 3gt7 n GLY 12 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3gt7 n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gt7 s GLU 13 N 0.00 3.36 -0.12 1.61 -6.30 -1.26 -0.28 118.70 115.71 3gt7 s GLU 13 Ca 0.00 -0.58 0.02 0.00 -2.50 0.00 0.00 54.97 51.91 3gt7 s GLU 13 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 34.13 30.25 3gt7 s GLU 13 CO 0.00 -0.65 -0.19 0.42 0.02 0.00 0.00 175.26 174.86 3gt7 s ILE 14 N 2.02 2.45 -0.32 -3.70 1.01 0.02 0.11 121.20 122.79 3gt7 s ILE 14 Ca 0.11 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3gt7 s ILE 14 Cb -0.17 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3gt7 s ILE 14 CO 0.12 0.54 0.42 -0.22 0.00 0.00 0.00 174.94 175.80 3gt7 s LEU 15 N 0.46 4.29 -0.22 2.97 2.96 -0.07 -1.00 118.68 128.08 3gt7 s LEU 15 Ca -0.13 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 3gt7 s LEU 15 Cb -0.17 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3gt7 s LEU 15 CO 0.06 -0.34 0.38 -0.63 -1.32 0.00 0.00 176.35 174.50 3gt7 s ILE 16 N 2.16 5.20 -0.41 6.68 1.01 0.80 -1.06 121.20 135.58 3gt7 s ILE 16 Ca 0.15 0.66 -0.06 0.00 0.00 0.00 0.00 60.65 61.40 3gt7 s ILE 16 Cb -0.16 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.69 3gt7 s ILE 16 CO 0.12 0.24 0.22 -0.69 0.00 0.00 0.00 174.94 174.83 3gt7 s VAL 17 N 1.45 3.75 -0.21 2.92 1.01 0.13 -0.85 120.40 128.59 3gt7 s VAL 17 Ca 0.18 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.38 3gt7 s VAL 17 Cb -0.15 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 32.92 3gt7 s VAL 17 CO 0.08 -0.57 0.47 -0.70 0.00 0.00 0.00 175.10 174.38 3gt7 s GLU 18 N 1.29 0.40 0.10 2.72 2.56 -0.36 -1.49 118.70 123.93 3gt7 s GLU 18 Ca 0.04 1.04 -0.02 0.00 0.00 0.00 0.00 54.97 56.04 3gt7 s GLU 18 Cb -0.23 0.30 -0.23 0.00 2.00 0.00 0.00 34.13 35.97 3gt7 s GLU 18 CO -0.01 -0.21 1.20 0.22 -0.56 0.00 0.00 175.26 175.90 3gt7 h ASP 19 N 7.79 0.35 -3.07 -1.70 3.58 -1.77 -3.38 116.42 118.21 3gt7 h ASP 19 Ca -0.22 -0.35 -0.57 0.00 0.42 0.00 0.00 57.03 56.30 3gt7 h ASP 19 Cb 1.14 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.03 3gt7 h ASP 19 CO 0.16 1.25 0.96 -0.55 -2.88 0.00 0.00 179.24 178.18 3gt7 s SER 20 N -7.05 6.74 0.36 2.28 0.15 -1.26 -4.93 113.70 109.99 3gt7 s SER 20 Ca -0.03 1.35 0.07 0.00 0.70 0.00 0.00 55.95 58.03 3gt7 s SER 20 Cb 0.08 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 62.54 3gt7 s SER 20 CO 0.87 -1.00 1.90 -0.65 1.20 0.00 0.00 173.24 175.56 3gt7 h PRO 21 N 9.04 0.40 0.10 5.44 0.11 -1.99 -0.91 132.00 144.18 3gt7 h PRO 21 Ca -0.26 -0.08 -0.29 0.00 0.11 0.00 0.00 66.00 65.47 3gt7 h PRO 21 Cb 1.10 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.18 3gt7 h PRO 21 CO 1.01 0.47 -1.20 1.79 -0.21 0.00 0.00 178.00 179.86 3gt7 h THR 22 N 0.38 1.31 -0.57 -1.15 1.35 -1.98 -2.02 112.91 110.24 3gt7 h THR 22 Ca 0.08 -2.49 -0.11 0.00 -0.55 0.00 0.00 66.41 63.34 3gt7 h THR 22 Cb 0.34 2.66 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 3gt7 h THR 22 CO 0.01 0.76 -0.08 1.56 -0.25 0.00 0.00 175.52 177.52 3gt7 h GLN 23 N 0.27 1.05 -0.71 4.72 4.20 -1.94 -1.38 115.11 121.32 3gt7 h GLN 23 Ca -0.17 -0.37 0.05 0.00 0.06 0.00 0.00 58.65 58.22 3gt7 h GLN 23 Cb 1.87 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.53 3gt7 h GLN 23 CO 0.23 1.07 0.42 0.00 -0.67 0.00 0.00 178.83 179.88 3gt7 h ALA 24 N 0.96 0.95 -0.62 3.87 0.00 -1.19 -1.73 119.26 121.50 3gt7 h ALA 24 Ca 0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gt7 h ALA 24 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3gt7 h ALA 24 CO 0.04 0.15 0.27 1.49 0.00 0.00 0.00 179.25 181.20 3gt7 h GLU 25 N 0.80 0.91 -0.93 0.00 4.57 -1.07 0.39 114.58 119.25 3gt7 h GLU 25 Ca 0.31 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3gt7 h GLU 25 Cb 0.12 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 3gt7 h GLU 25 CO -0.15 0.75 0.61 1.25 -1.18 0.00 0.00 179.01 180.29 3gt7 h HIS 26 N 0.86 1.17 -0.50 0.92 2.76 -0.85 0.13 115.15 119.63 3gt7 h HIS 26 Ca 0.21 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3gt7 h HIS 26 Cb 0.17 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 3gt7 h HIS 26 CO 0.01 0.74 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.26 3gt7 h LEU 27 N 1.26 0.87 -0.31 0.26 3.38 -1.04 -2.38 115.31 117.35 3gt7 h LEU 27 Ca 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3gt7 h LEU 27 Cb -0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3gt7 h LEU 27 CO -0.07 0.96 0.16 0.50 0.09 0.00 0.00 178.44 180.08 3gt7 h LYS 28 N 0.81 0.43 0.67 1.13 3.64 -0.03 -2.77 116.57 120.44 3gt7 h LYS 28 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3gt7 h LYS 28 Cb 0.55 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3gt7 h LYS 28 CO 0.03 0.38 -0.38 0.45 -2.27 0.00 0.00 179.45 177.66 3gt7 h HIS 29 N 0.37 -0.99 0.00 1.91 3.86 -0.60 -2.28 115.15 117.42 3gt7 h HIS 29 Ca 0.11 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 3gt7 h HIS 29 Cb 0.08 0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3gt7 h HIS 29 CO -0.03 -0.58 -0.20 -0.84 0.86 0.00 0.00 177.93 177.14 3gt7 h ILE 30 N -0.98 0.51 0.11 2.45 3.07 -1.49 -1.82 117.51 119.37 3gt7 h ILE 30 Ca -0.09 -1.05 -0.31 0.00 1.55 0.00 0.00 64.86 64.96 3gt7 h ILE 30 Cb 0.78 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.05 3gt7 h ILE 30 CO 0.11 0.20 -1.56 -0.07 -1.05 0.00 0.00 178.15 175.77 3gt7 h LEU 31 N 0.00 0.37 -0.61 0.16 3.38 -1.50 -3.22 115.31 113.90 3gt7 h LEU 31 Ca -0.00 -0.54 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 3gt7 h LEU 31 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gt7 h LEU 31 CO 0.03 1.45 -0.64 -0.33 0.09 0.00 0.00 178.44 179.04 3gt7 h GLU 32 N 0.06 0.22 0.00 1.13 5.08 -1.30 -0.73 114.58 119.05 3gt7 h GLU 32 Ca -0.25 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 3gt7 h GLU 32 Cb 2.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 3gt7 h GLU 32 CO 0.15 0.78 -0.22 0.93 -1.00 0.00 0.00 179.01 179.66 3gt7 h GLU 33 N 0.16 0.00 -0.01 2.33 5.08 -1.44 -1.34 114.58 119.35 3gt7 h GLU 33 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gt7 h GLU 33 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gt7 h GLU 33 CO 0.10 0.22 -0.33 0.25 -1.00 0.00 0.00 179.01 178.25 3gt7 n THR 34 N -3.99 0.00 0.00 1.13 -2.24 -1.17 -4.96 114.28 103.05 3gt7 n THR 34 Ca -0.02 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3gt7 n THR 34 Cb 0.30 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3gt7 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gt7 n GLY 35 N 1.37 1.07 3.86 3.38 0.00 -0.51 -5.10 105.19 109.27 3gt7 n GLY 35 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3gt7 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gt7 s TYR 36 N -2.00 3.45 -0.07 1.61 2.02 -0.31 -4.19 117.35 117.86 3gt7 s TYR 36 Ca 0.00 1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 57.74 3gt7 s TYR 36 Cb 0.00 -2.52 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 3gt7 s TYR 36 CO 0.00 -0.12 0.28 -1.14 -1.57 0.00 0.00 175.55 173.00 3gt7 s GLN 37 N -3.74 3.75 0.13 -0.62 -0.44 0.61 -3.96 119.66 115.39 3gt7 s GLN 37 Ca 0.53 0.14 0.06 0.00 -2.50 0.00 0.00 55.36 53.60 3gt7 s GLN 37 Cb -0.10 -3.23 -0.04 0.00 -1.64 0.00 0.00 33.01 28.00 3gt7 s GLN 37 CO 0.29 0.68 -0.15 0.95 0.50 0.00 0.00 175.29 177.56 3gt7 s THR 38 N -0.87 1.43 0.11 -0.34 -4.23 -1.26 -0.80 115.64 109.69 3gt7 s THR 38 Ca 0.19 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 3gt7 s THR 38 Cb -0.14 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 3gt7 s THR 38 CO 0.08 -0.40 -0.14 -1.61 -0.54 0.00 0.00 174.62 172.01 3gt7 s GLU 39 N -2.72 0.96 -0.01 3.99 0.41 -0.17 -4.92 118.70 116.25 3gt7 s GLU 39 Ca 0.10 -1.18 0.07 0.00 -0.41 0.00 0.00 54.97 53.56 3gt7 s GLU 39 Cb -0.05 -0.85 -0.02 0.00 -1.78 0.00 0.00 34.13 31.43 3gt7 s GLU 39 CO 0.04 0.17 -0.22 -1.58 -0.49 0.00 0.00 175.26 173.18 3gt7 s HIS 40 N -2.00 1.94 0.03 1.61 5.65 -1.26 -0.14 115.29 121.12 3gt7 s HIS 40 Ca 0.06 -0.37 -0.02 0.00 0.25 0.00 0.00 55.06 54.99 3gt7 s HIS 40 Cb -0.06 -1.25 -0.02 0.00 -1.18 0.00 0.00 32.58 30.07 3gt7 s HIS 40 CO 0.02 -0.03 -0.00 0.08 -0.65 0.00 0.00 174.74 174.17 3gt7 s VAL 41 N -0.53 0.15 -0.12 0.89 1.01 -0.03 -4.96 120.40 116.82 3gt7 s VAL 41 Ca 0.08 -1.23 0.17 0.00 0.00 0.00 0.00 61.98 61.00 3gt7 s VAL 41 Cb -0.08 -0.79 -0.21 0.00 0.00 0.00 0.00 36.38 35.29 3gt7 s VAL 41 CO -0.01 -0.68 0.52 0.54 0.00 0.00 0.00 175.10 175.48 3gt7 n ARG 42 N 0.95 0.65 -3.99 2.72 1.74 -1.26 -1.22 116.66 116.25 3gt7 n ARG 42 Ca -0.20 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 56.86 3gt7 n ARG 42 Cb 0.58 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3gt7 n ARG 42 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3gt7 n ASN 43 N -2.80 -1.53 -0.10 0.55 0.23 -1.26 -2.87 115.26 107.48 3gt7 n ASN 43 Ca -0.17 -2.89 -0.06 0.00 -0.53 0.00 0.00 54.58 50.93 3gt7 n ASN 43 Cb 0.94 2.78 0.13 0.00 -2.08 0.00 0.00 39.78 41.56 3gt7 n ASN 43 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3gt7 h GLY 44 N 2.01 0.84 1.65 4.83 0.00 -1.54 -2.43 103.07 108.44 3gt7 h GLY 44 Ca -0.29 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.34 3gt7 h GLY 44 CO 0.38 0.57 -0.19 -0.09 0.00 0.00 0.00 176.54 177.22 3gt7 h ARG 45 N 0.71 0.42 -0.14 4.80 9.65 -1.85 -0.21 114.38 127.76 3gt7 h ARG 45 Ca 0.12 -0.13 -0.16 0.00 -1.10 0.00 0.00 59.98 58.71 3gt7 h ARG 45 Cb 0.57 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3gt7 h ARG 45 CO 0.04 0.59 -0.59 0.93 2.80 0.00 0.00 179.97 183.74 3gt7 h GLU 46 N 0.38 0.45 -0.57 0.20 5.08 -1.92 -2.81 114.58 115.39 3gt7 h GLU 46 Ca 0.07 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3gt7 h GLU 46 Cb 0.55 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3gt7 h GLU 46 CO 0.04 0.91 0.26 0.00 -1.00 0.00 0.00 179.01 179.21 3gt7 h ALA 47 N 1.03 0.74 -0.27 3.43 0.00 -0.85 0.50 119.26 123.85 3gt7 h ALA 47 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3gt7 h ALA 47 Cb 1.12 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3gt7 h ALA 47 CO 0.10 0.33 -0.15 0.28 0.00 0.00 0.00 179.25 179.81 3gt7 h VAL 48 N 0.78 0.56 -0.64 0.00 2.07 -1.03 -0.28 116.25 117.70 3gt7 h VAL 48 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3gt7 h VAL 48 Cb 0.15 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3gt7 h VAL 48 CO -0.02 0.00 0.36 0.03 0.02 0.00 0.00 177.57 177.96 3gt7 h ARG 49 N -0.12 0.88 -0.55 1.57 3.08 -1.18 -1.82 114.38 116.23 3gt7 h ARG 49 Ca 0.14 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3gt7 h ARG 49 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3gt7 h ARG 49 CO -0.34 0.63 0.20 0.35 -1.07 0.00 0.00 179.97 179.74 3gt7 h PHE 50 N 0.89 0.86 0.00 3.04 3.04 -0.43 -3.20 116.94 121.14 3gt7 h PHE 50 Ca 0.23 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3gt7 h PHE 50 Cb 0.00 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.26 3gt7 h PHE 50 CO 0.00 0.71 0.00 1.28 -2.02 0.00 0.00 178.31 178.29 3gt7 n LEU 51 N -4.48 0.00 0.04 0.59 4.77 -0.16 -1.07 117.00 116.69 3gt7 n LEU 51 Ca 0.03 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.44 3gt7 n LEU 51 Cb 0.18 -0.46 0.23 0.00 -2.33 0.00 0.00 43.42 41.04 3gt7 n LEU 51 CO 0.39 -0.01 0.74 0.28 -1.33 0.00 0.00 177.39 177.45 3gt7 h SER 52 N 0.00 0.41 0.00 -1.43 0.02 -1.41 -3.36 113.55 107.78 3gt7 h SER 52 Ca 0.00 -0.14 -0.31 0.00 -0.84 0.00 0.00 61.79 60.51 3gt7 h SER 52 Cb 0.44 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3gt7 h SER 52 CO 0.00 0.67 -2.17 -0.11 -1.14 0.00 0.00 176.83 174.08 3gt7 n LEU 53 N -4.12 2.76 -4.32 5.07 7.94 -1.00 -5.05 117.00 118.28 3gt7 n LEU 53 Ca -0.01 -0.10 -0.31 0.00 -1.11 0.00 0.00 56.01 54.48 3gt7 n LEU 53 Cb 0.40 -0.64 -0.16 0.00 0.53 0.00 0.00 43.42 43.56 3gt7 n LEU 53 CO 0.41 0.81 -0.57 -0.89 -1.11 0.00 0.00 177.39 176.05 3gt7 s THR 54 N -2.41 2.08 -0.28 1.96 2.01 -0.23 -5.10 115.64 113.66 3gt7 s THR 54 Ca -0.26 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 60.53 3gt7 s THR 54 Cb 0.07 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3gt7 s THR 54 CO 0.49 0.54 0.04 -0.60 -0.69 0.00 0.00 174.62 174.40 3gt7 s ARG 55 N -0.73 3.01 0.70 4.92 3.52 -1.26 -4.16 118.95 124.95 3gt7 s ARG 55 Ca 0.10 -0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 3gt7 s ARG 55 Cb -0.10 -3.27 0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3gt7 s ARG 55 CO -0.00 -0.44 1.04 -1.25 -0.81 0.00 0.00 175.30 173.83 3gt7 s PRO 56 N 1.45 2.41 0.08 5.12 0.04 -1.26 -5.01 135.00 137.82 3gt7 s PRO 56 Ca 0.02 -0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.08 3gt7 s PRO 56 Cb -0.17 -2.12 -0.24 0.00 0.04 0.00 0.00 34.50 32.01 3gt7 s PRO 56 CO 0.01 -1.16 1.12 -0.44 0.04 0.00 0.00 177.00 176.56 3gt7 h ASP 57 N -0.61 0.15 -5.01 6.66 3.32 0.43 -3.48 116.42 117.88 3gt7 h ASP 57 Ca -0.45 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 56.29 3gt7 h ASP 57 Cb 1.30 -0.05 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 3gt7 h ASP 57 CO 0.62 1.15 -0.40 -0.22 -1.72 0.00 0.00 179.24 178.67 3gt7 s LEU 58 N -6.78 1.30 -0.06 1.55 0.20 -1.15 -4.23 118.68 109.52 3gt7 s LEU 58 Ca -0.02 -0.18 0.06 0.00 0.69 0.00 0.00 54.13 54.67 3gt7 s LEU 58 Cb 0.09 0.93 -0.01 0.00 -0.43 0.00 0.00 46.19 46.77 3gt7 s LEU 58 CO 0.84 -0.45 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.58 3gt7 s ILE 59 N -1.75 1.93 -0.17 6.68 1.01 -0.37 -0.89 121.20 127.64 3gt7 s ILE 59 Ca -0.11 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 3gt7 s ILE 59 Cb -0.05 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.78 3gt7 s ILE 59 CO 0.01 0.54 -0.15 -0.63 0.00 0.00 0.00 174.94 174.71 3gt7 s ILE 60 N -0.09 2.66 -0.01 2.92 1.01 -0.23 -0.84 121.20 126.62 3gt7 s ILE 60 Ca -0.05 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.89 3gt7 s ILE 60 Cb -0.14 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 3gt7 s ILE 60 CO 0.04 0.51 -0.17 -0.55 0.00 0.00 0.00 174.94 174.77 3gt7 s SER 61 N 0.98 1.94 0.87 3.58 0.15 -0.12 0.17 113.70 121.28 3gt7 s SER 61 Ca -0.02 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.21 3gt7 s SER 61 Cb -0.15 -0.22 0.16 0.00 -1.71 0.00 0.00 66.02 64.10 3gt7 s SER 61 CO -0.03 0.20 1.21 -0.62 1.20 0.00 0.00 173.24 175.20 3gt7 s ASP 62 N -0.40 3.71 -0.17 5.45 -1.08 -0.56 -0.42 116.67 123.20 3gt7 s ASP 62 Ca 0.06 0.23 -0.14 0.00 -0.52 0.00 0.00 52.55 52.19 3gt7 s ASP 62 Cb -0.06 -0.46 -0.06 0.00 -1.46 0.00 0.00 42.92 40.88 3gt7 s ASP 62 CO -0.01 -2.34 -0.22 0.52 0.52 0.00 0.00 175.17 173.64 3gt7 n VAL 63 N -3.44 1.47 -2.68 1.11 0.31 -1.09 -3.39 118.33 110.61 3gt7 n VAL 63 Ca 0.13 0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 64.16 3gt7 n VAL 63 Cb 0.60 -2.31 -0.02 0.00 -0.91 0.00 0.00 33.84 31.19 3gt7 n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gt7 s LEU 64 N -8.03 4.14 -0.14 7.52 1.43 -1.26 -1.33 118.68 121.01 3gt7 s LEU 64 Ca -0.23 1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 3gt7 s LEU 64 Cb 0.04 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.85 3gt7 s LEU 64 CO 0.35 -0.59 0.94 -0.04 0.23 0.00 0.00 176.35 177.24 3gt7 s MET 65 N 2.82 0.67 0.65 1.70 -1.94 -1.26 -4.68 119.30 117.27 3gt7 s MET 65 Ca 0.45 0.15 -0.12 0.00 -1.71 0.00 0.00 55.69 54.46 3gt7 s MET 65 Cb -0.16 0.32 -0.02 0.00 2.01 0.00 0.00 34.83 36.98 3gt7 s MET 65 CO 0.10 -0.21 1.04 -2.14 -0.01 0.00 0.00 175.02 173.80 3gt7 s PRO 66 N -1.17 3.27 0.00 2.03 0.02 -1.26 -4.29 135.00 133.59 3gt7 s PRO 66 Ca -0.03 0.91 0.00 0.00 0.02 0.00 0.00 61.00 61.90 3gt7 s PRO 66 Cb -0.00 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3gt7 s PRO 66 CO 0.03 -0.84 0.00 0.39 -0.33 0.00 0.00 177.00 176.25 3gt7 n GLU 67 N -2.79 0.00 -3.69 5.54 1.02 -1.26 -4.42 120.64 115.04 3gt7 n GLU 67 Ca 0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.96 3gt7 n GLU 67 Cb 0.54 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.78 3gt7 n GLU 67 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3gt7 s MET 68 N 0.00 0.32 0.81 3.49 0.00 -1.26 -4.95 119.30 117.71 3gt7 s MET 68 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 55.69 55.52 3gt7 s MET 68 Cb 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 34.83 33.44 3gt7 s MET 68 CO 0.00 -0.52 1.18 0.16 0.00 0.00 0.00 175.02 175.84 3gt7 s ASP 69 N 2.03 4.50 0.52 1.11 1.47 -1.26 -1.71 116.67 123.34 3gt7 s ASP 69 Ca 0.02 0.77 0.22 0.00 1.18 0.00 0.00 52.55 54.74 3gt7 s ASP 69 Cb -0.15 -1.27 1.38 0.00 -0.34 0.00 0.00 42.92 42.55 3gt7 s ASP 69 CO -0.07 -1.91 2.12 1.23 0.68 0.00 0.00 175.17 177.23 3gt7 h GLY 70 N -1.05 0.00 0.74 2.12 0.00 -1.22 -1.09 103.07 102.57 3gt7 h GLY 70 Ca -0.46 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3gt7 h GLY 70 CO 0.66 0.00 -0.04 -0.97 0.00 0.00 0.00 176.54 176.19 3gt7 h TYR 71 N 0.00 0.30 -0.30 5.60 0.05 -1.84 -2.28 116.97 118.50 3gt7 h TYR 71 Ca -0.00 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 3gt7 h TYR 71 Cb 0.16 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3gt7 h TYR 71 CO 0.00 0.57 -0.10 0.00 -1.05 0.00 0.00 178.16 177.58 3gt7 h ALA 72 N 0.69 1.28 -0.34 3.88 0.00 -1.77 -1.66 119.26 121.33 3gt7 h ALA 72 Ca 0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3gt7 h ALA 72 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gt7 h ALA 72 CO 0.01 0.48 -0.18 1.25 0.00 0.00 0.00 179.25 180.82 3gt7 h LEU 73 N 0.47 0.74 -0.17 0.00 5.85 -1.23 -1.48 115.31 119.48 3gt7 h LEU 73 Ca 0.09 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3gt7 h LEU 73 Cb 0.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3gt7 h LEU 73 CO 0.02 0.99 0.10 0.00 -0.34 0.00 0.00 178.44 179.21 3gt7 h ARG 75 N 0.18 0.45 0.02 0.00 3.08 -1.17 -1.34 114.38 115.59 3gt7 h ARG 75 Ca 0.06 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3gt7 h ARG 75 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3gt7 h ARG 75 CO -0.01 0.30 -0.05 2.35 -1.07 0.00 0.00 179.97 181.49 3gt7 h TRP 76 N 0.46 -0.12 -0.88 3.04 7.01 -1.00 -2.61 115.95 121.85 3gt7 h TRP 76 Ca 0.23 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.30 3gt7 h TRP 76 Cb 0.17 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 3gt7 h TRP 76 CO -0.12 -0.08 0.55 -0.07 -2.79 0.00 0.00 178.44 175.93 3gt7 h LEU 77 N -0.09 0.85 -0.19 0.65 3.38 -0.47 -0.92 115.31 118.52 3gt7 h LEU 77 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gt7 h LEU 77 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gt7 h LEU 77 CO -0.04 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.31 3gt7 n LYS 78 N -4.62 0.12 0.06 1.13 4.76 -0.53 -2.52 118.16 116.55 3gt7 n LYS 78 Ca 0.13 0.23 -0.05 0.00 -2.87 0.00 0.00 58.31 55.75 3gt7 n LYS 78 Cb 0.21 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.62 3gt7 n LYS 78 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3gt7 h GLY 79 N 3.55 0.00 -4.72 0.72 0.00 -0.78 -3.45 103.07 98.39 3gt7 h GLY 79 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3gt7 h GLY 79 CO 0.00 0.00 0.37 1.20 0.00 0.00 0.00 176.54 178.11 3gt7 s GLN 80 N -2.75 4.47 0.40 4.80 -1.52 -1.05 -4.96 119.66 119.05 3gt7 s GLN 80 Ca 0.01 1.26 0.11 0.00 -1.95 0.00 0.00 55.36 54.79 3gt7 s GLN 80 Cb 0.09 -3.49 0.82 0.00 -0.22 0.00 0.00 33.01 30.21 3gt7 s GLN 80 CO 0.81 -0.13 1.91 -1.35 -0.25 0.00 0.00 175.29 176.28 3gt7 h PRO 81 N 6.94 0.13 0.00 2.91 0.11 -1.89 -0.82 132.00 139.38 3gt7 h PRO 81 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3gt7 h PRO 81 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gt7 h PRO 81 CO 0.79 0.33 -1.35 -0.40 -0.21 0.00 0.00 178.00 177.16 3gt7 n ASP 82 N -4.25 0.50 -0.01 -2.05 3.85 -1.26 -4.50 116.55 108.83 3gt7 n ASP 82 Ca -0.01 0.05 0.10 0.00 -0.71 0.00 0.00 54.79 54.22 3gt7 n ASP 82 Cb 0.29 1.08 -0.16 0.00 -1.35 0.00 0.00 41.12 40.98 3gt7 n ASP 82 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3gt7 n LEU 83 N -2.33 0.00 0.20 -2.12 4.77 -1.03 -4.41 117.00 112.09 3gt7 n LEU 83 Ca -0.01 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 3gt7 n LEU 83 Cb 0.52 0.01 0.82 0.00 -2.33 0.00 0.00 43.42 42.44 3gt7 n LEU 83 CO 0.42 0.01 1.16 -0.09 -1.33 0.00 0.00 177.39 177.56 3gt7 h ARG 84 N 0.00 0.00 0.00 3.23 2.43 -0.93 -2.40 114.38 116.71 3gt7 h ARG 84 Ca -0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3gt7 h ARG 84 Cb 0.94 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3gt7 h ARG 84 CO 0.00 0.00 -0.31 1.79 -1.51 0.00 0.00 179.97 179.94 3gt7 h THR 85 N 0.00 0.53 -2.76 0.20 1.35 -1.86 -3.45 112.91 106.93 3gt7 h THR 85 Ca 0.10 -1.75 -0.55 0.00 -0.55 0.00 0.00 66.41 63.66 3gt7 h THR 85 Cb 0.73 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 3gt7 h THR 85 CO -0.00 0.30 0.98 -0.63 -0.25 0.00 0.00 175.52 175.92 3gt7 s ILE 86 N -3.06 3.78 0.24 6.82 1.01 -0.90 -4.98 121.20 124.11 3gt7 s ILE 86 Ca 0.05 1.01 -0.31 0.00 0.00 0.00 0.00 60.65 61.40 3gt7 s ILE 86 Cb 0.07 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.78 3gt7 s ILE 86 CO 0.72 -0.07 1.57 -2.16 0.00 0.00 0.00 174.94 175.00 3gt7 s PRO 87 N 3.49 4.18 -0.11 2.79 0.04 -1.26 -4.86 135.00 139.27 3gt7 s PRO 87 Ca 0.66 2.47 0.03 0.00 0.04 0.00 0.00 61.00 64.20 3gt7 s PRO 87 Cb -0.30 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 3gt7 s PRO 87 CO 0.25 -0.59 -0.20 0.08 0.04 0.00 0.00 177.00 176.58 3gt7 s VAL 88 N 0.39 2.43 -0.24 -0.36 1.01 -1.26 -1.23 120.40 121.14 3gt7 s VAL 88 Ca 0.65 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3gt7 s VAL 88 Cb -0.46 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3gt7 s VAL 88 CO 0.41 0.55 0.10 -0.63 0.00 0.00 0.00 175.10 175.53 3gt7 s ILE 89 N 0.30 4.65 -0.27 2.22 1.01 -0.02 -1.98 121.20 127.12 3gt7 s ILE 89 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 3gt7 s ILE 89 Cb -0.17 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3gt7 s ILE 89 CO 0.07 0.34 0.46 -0.22 0.00 0.00 0.00 174.94 175.60 3gt7 s LEU 90 N 1.41 4.05 -0.31 2.97 2.96 0.31 -0.94 118.68 129.12 3gt7 s LEU 90 Ca 0.06 0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 54.20 3gt7 s LEU 90 Cb -0.15 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 3gt7 s LEU 90 CO 0.05 -0.25 0.58 -0.76 -1.32 0.00 0.00 176.35 174.65 3gt7 s LEU 91 N 2.23 4.18 0.06 -0.68 1.43 0.44 -1.12 118.68 125.21 3gt7 s LEU 91 Ca 0.19 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3gt7 s LEU 91 Cb -0.16 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3gt7 s LEU 91 CO 0.09 -0.45 -0.06 0.28 0.23 0.00 0.00 176.35 176.44 3gt7 s THR 92 N 2.52 0.51 -0.16 5.49 -1.32 -0.28 -2.66 115.64 119.73 3gt7 s THR 92 Ca 0.23 -1.42 0.01 0.00 -1.21 0.00 0.00 61.69 59.29 3gt7 s THR 92 Cb -0.15 -1.03 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 3gt7 s THR 92 CO 0.12 -0.63 -0.17 -0.51 -2.21 0.00 0.00 174.62 171.22 3gt7 s ILE 93 N -2.41 2.47 -0.86 5.08 2.07 -1.26 -0.93 121.20 125.37 3gt7 s ILE 93 Ca -0.02 -0.83 -0.10 0.00 -1.41 0.00 0.00 60.65 58.30 3gt7 s ILE 93 Cb -0.03 -2.04 0.22 0.00 0.13 0.00 0.00 42.46 40.75 3gt7 s ILE 93 CO -0.03 0.52 0.78 -0.76 -1.91 0.00 0.00 174.94 173.55 3gt7 s LEU 94 N 0.91 6.28 -0.01 8.50 1.43 -1.26 -4.83 118.68 129.70 3gt7 s LEU 94 Ca -0.04 -3.02 0.13 0.00 -1.03 0.00 0.00 54.13 50.17 3gt7 s LEU 94 Cb -0.15 -2.11 -0.18 0.00 0.03 0.00 0.00 46.19 43.77 3gt7 s LEU 94 CO -0.02 -0.44 0.35 -1.54 0.23 0.00 0.00 176.35 174.93 3gt7 n SER 95 N 3.45 1.67 -3.89 2.29 3.41 -1.26 -5.01 113.62 114.29 3gt7 n SER 95 Ca 0.16 -0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.47 3gt7 n SER 95 Cb 0.43 1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 65.73 3gt7 n SER 95 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3gt7 s ASP 96 N -3.13 0.14 0.46 4.04 1.47 -1.26 -5.07 116.67 113.32 3gt7 s ASP 96 Ca -0.02 -0.71 0.28 0.00 1.18 0.00 0.00 52.55 53.28 3gt7 s ASP 96 Cb 0.09 0.34 1.34 0.00 -0.34 0.00 0.00 42.92 44.35 3gt7 s ASP 96 CO 0.53 -0.74 1.75 -0.65 0.68 0.00 0.00 175.17 176.73 3gt7 h PRO 97 N 2.75 0.18 -0.15 2.11 0.11 -2.00 -0.49 132.00 134.51 3gt7 h PRO 97 Ca -0.34 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 3gt7 h PRO 97 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3gt7 h PRO 97 CO 0.56 0.12 -0.11 0.00 -0.21 0.00 0.00 178.00 178.36 3gt7 h ARG 98 N 0.19 0.23 -0.51 1.05 3.08 -1.99 -1.34 114.38 115.10 3gt7 h ARG 98 Ca 0.64 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.60 3gt7 h ARG 98 Cb 2.06 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 3gt7 h ARG 98 CO -0.21 0.35 0.15 -0.44 -1.07 0.00 0.00 179.97 178.76 3gt7 h ASP 99 N 0.23 0.75 -0.30 7.04 3.45 -1.43 -0.75 116.42 125.41 3gt7 h ASP 99 Ca 0.05 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 3gt7 h ASP 99 Cb 0.34 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 3gt7 h ASP 99 CO 0.02 0.77 0.10 0.58 -1.57 0.00 0.00 179.24 179.14 3gt7 h VAL 100 N 0.70 1.20 -0.38 -1.35 2.07 -1.44 -1.78 116.25 115.27 3gt7 h VAL 100 Ca 0.16 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3gt7 h VAL 100 Cb 0.29 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3gt7 h VAL 100 CO -0.00 0.21 0.14 0.58 0.02 0.00 0.00 177.57 178.52 3gt7 h VAL 101 N 0.33 1.20 -0.57 2.57 2.07 -1.19 -1.24 116.25 119.42 3gt7 h VAL 101 Ca 0.10 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3gt7 h VAL 101 Cb 0.23 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3gt7 h VAL 101 CO -0.00 0.22 0.16 0.03 0.02 0.00 0.00 177.57 178.00 3gt7 h ARG 102 N 0.47 0.86 -0.29 1.57 -0.00 -1.09 -2.01 114.38 113.88 3gt7 h ARG 102 Ca 0.13 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.98 59.39 3gt7 h ARG 102 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 3gt7 h ARG 102 CO -0.01 0.76 -0.03 0.77 0.00 0.00 0.00 179.97 181.46 3gt7 h SER 103 N 0.83 0.53 0.38 7.04 0.02 -1.17 -2.75 113.55 118.43 3gt7 h SER 103 Ca 0.19 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3gt7 h SER 103 Cb 0.27 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3gt7 h SER 103 CO -0.01 0.74 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.18 3gt7 h LEU 104 N 0.30 0.00 0.00 5.07 3.38 -0.94 -2.90 115.31 120.22 3gt7 h LEU 104 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gt7 h LEU 104 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gt7 h LEU 104 CO 0.02 0.17 -0.88 -0.62 0.09 0.00 0.00 178.44 177.22 3gt7 n GLU 105 N -3.78 0.21 0.13 1.13 1.02 -0.78 -4.42 120.64 114.15 3gt7 n GLU 105 Ca -0.02 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 3gt7 n GLU 105 Cb 0.27 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3gt7 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gt7 n GLY 107 N 1.23 0.24 3.78 0.00 0.00 -1.26 -2.89 105.19 106.29 3gt7 n GLY 107 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3gt7 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gt7 s ALA 108 N -2.20 2.34 -0.44 4.61 0.00 -1.26 -4.94 121.76 119.87 3gt7 s ALA 108 Ca 0.00 0.27 0.23 0.00 0.00 0.00 0.00 51.96 52.46 3gt7 s ALA 108 Cb -0.00 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 20.09 3gt7 s ALA 108 CO 0.00 -1.64 1.29 -0.44 0.00 0.00 0.00 175.76 174.97 3gt7 h ASP 109 N -0.96 0.00 -3.95 0.00 3.32 -1.79 -3.47 116.42 109.58 3gt7 h ASP 109 Ca -0.44 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 3gt7 h ASP 109 Cb 1.23 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.55 3gt7 h ASP 109 CO 0.52 0.04 -0.08 -0.62 -1.72 0.00 0.00 179.24 177.38 3gt7 s ASP 110 N -5.09 -0.56 -0.06 6.45 2.15 -0.95 -4.98 116.67 113.62 3gt7 s ASP 110 Ca 0.04 1.09 0.05 0.00 0.43 0.00 0.00 52.55 54.15 3gt7 s ASP 110 Cb 0.10 1.10 -0.00 0.00 -0.30 0.00 0.00 42.92 43.82 3gt7 s ASP 110 CO 0.73 -0.19 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.97 3gt7 s PHE 111 N 0.27 2.13 -0.07 -5.34 0.08 -1.26 -0.53 117.98 113.25 3gt7 s PHE 111 Ca -0.00 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.35 3gt7 s PHE 111 Cb -0.04 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3gt7 s PHE 111 CO 0.01 -0.25 -0.06 0.42 -0.10 0.00 0.00 175.22 175.24 3gt7 s ILE 112 N 0.10 0.73 0.18 0.64 -1.09 -0.28 -4.96 121.20 116.53 3gt7 s ILE 112 Ca -0.08 -0.17 -0.26 0.00 -2.23 0.00 0.00 60.65 57.91 3gt7 s ILE 112 Cb -0.14 -0.76 -0.08 0.00 -1.58 0.00 0.00 42.46 39.90 3gt7 s ILE 112 CO 0.04 0.29 0.80 0.42 -1.23 0.00 0.00 174.94 175.26 3gt7 s THR 113 N 1.29 4.34 1.04 2.92 -4.23 -1.26 -1.13 115.64 118.61 3gt7 s THR 113 Ca -0.04 1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 62.07 3gt7 s THR 113 Cb -0.14 -4.14 0.21 0.00 1.34 0.00 0.00 72.50 69.77 3gt7 s THR 113 CO -0.02 0.49 1.09 -0.54 -0.54 0.00 0.00 174.62 175.10 3gt7 s LYS 114 N -1.22 0.09 0.00 3.99 1.02 -0.10 -3.99 119.74 119.53 3gt7 s LYS 114 Ca 0.37 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.79 3gt7 s LYS 114 Cb -0.23 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3gt7 s LYS 114 CO 0.27 -2.94 0.00 -2.30 -0.92 0.00 0.00 175.35 169.46 3gt7 n PRO 115 N -4.31 0.00 -4.22 -1.68 -0.01 -1.26 -4.95 135.00 118.57 3gt7 n PRO 115 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 63.50 63.41 3gt7 n PRO 115 Cb 0.58 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.96 3gt7 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3gt7 s LYS 117 N -3.64 4.65 0.37 0.00 -0.14 -1.26 -4.96 119.74 114.76 3gt7 s LYS 117 Ca 0.14 1.61 0.10 0.00 -1.36 0.00 0.00 55.97 56.46 3gt7 s LYS 117 Cb 0.02 -3.31 0.86 0.00 -1.68 0.00 0.00 37.83 33.72 3gt7 s LYS 117 CO -0.01 0.15 1.88 -0.44 -0.76 0.00 0.00 175.35 176.18 3gt7 h ASP 118 N 5.22 0.60 -0.77 2.83 3.32 -2.00 -1.97 116.42 123.65 3gt7 h ASP 118 Ca -0.44 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3gt7 h ASP 118 Cb 1.21 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 3gt7 h ASP 118 CO 0.72 0.31 0.46 0.58 -1.72 0.00 0.00 179.24 179.59 3gt7 h VAL 119 N 0.64 1.22 -0.03 -1.35 2.07 -1.99 0.77 116.25 117.59 3gt7 h VAL 119 Ca 0.43 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3gt7 h VAL 119 Cb 0.72 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3gt7 h VAL 119 CO -0.18 0.23 -0.11 0.58 0.02 0.00 0.00 177.57 178.11 3gt7 h VAL 120 N 1.08 1.47 -0.92 2.57 2.07 -1.77 -1.98 116.25 118.77 3gt7 h VAL 120 Ca 0.28 -1.56 0.11 0.00 0.82 0.00 0.00 66.70 66.35 3gt7 h VAL 120 Cb -0.03 2.43 -0.08 0.00 -1.52 0.00 0.00 31.29 32.09 3gt7 h VAL 120 CO -0.05 0.42 0.56 0.25 0.02 0.00 0.00 177.57 178.77 3gt7 h LEU 121 N -0.45 0.80 -0.31 2.57 5.85 -1.33 -1.58 115.31 120.87 3gt7 h LEU 121 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gt7 h LEU 121 Cb 0.75 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3gt7 h LEU 121 CO 0.02 0.44 0.20 0.00 -0.34 0.00 0.00 178.44 178.76 3gt7 h ALA 122 N 1.50 0.39 0.00 1.25 0.00 -0.73 -2.49 119.26 119.18 3gt7 h ALA 122 Ca 0.45 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 3gt7 h ALA 122 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gt7 h ALA 122 CO -0.26 -0.14 -0.65 0.66 0.00 0.00 0.00 179.25 178.86 3gt7 h SER 123 N 0.41 0.00 -0.20 0.00 4.64 -0.96 -2.28 113.55 115.17 3gt7 h SER 123 Ca 0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3gt7 h SER 123 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3gt7 h SER 123 CO -0.02 0.65 -0.15 0.45 -0.87 0.00 0.00 176.83 176.89 3gt7 h HIS 124 N 0.00 0.54 -0.04 4.77 -0.00 -1.22 -0.24 115.15 118.96 3gt7 h HIS 124 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 3gt7 h HIS 124 Cb 1.19 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.48 3gt7 h HIS 124 CO 0.00 0.79 0.02 0.28 -0.00 0.00 0.00 177.93 179.01 3gt7 h VAL 125 N 0.14 0.99 0.00 2.45 2.07 -1.41 -1.60 116.25 118.89 3gt7 h VAL 125 Ca 0.04 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3gt7 h VAL 125 Cb 0.67 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3gt7 h VAL 125 CO 0.04 0.01 -0.23 0.50 0.02 0.00 0.00 177.57 177.91 3gt7 h LYS 126 N 0.04 -0.35 -0.45 1.57 3.64 -1.39 -0.96 116.57 118.67 3gt7 h LYS 126 Ca 0.02 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3gt7 h LYS 126 Cb 0.01 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3gt7 h LYS 126 CO -0.02 -0.23 0.28 -0.09 -2.27 0.00 0.00 179.45 177.12 3gt7 h ARG 127 N -0.36 0.54 0.00 1.90 2.43 -0.94 0.25 114.38 118.19 3gt7 h ARG 127 Ca 0.06 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3gt7 h ARG 127 Cb 0.44 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3gt7 h ARG 127 CO -0.21 0.36 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.17 3gt7 h LEU 128 N 0.56 0.00 0.00 3.80 3.38 -1.16 -2.51 115.31 119.37 3gt7 h LEU 128 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3gt7 h LEU 128 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3gt7 h LEU 128 CO -0.07 0.37 -0.83 -0.07 0.09 0.00 0.00 178.44 177.93 3gt7 h LEU 129 N 0.00 0.00 -0.65 1.67 3.38 -0.54 -3.10 115.31 116.07 3gt7 h LEU 129 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3gt7 h LEU 129 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3gt7 h LEU 129 CO 0.05 0.49 -0.52 0.77 0.09 0.00 0.00 178.44 179.32 3gt7 h SER 130 N 0.00 0.00 0.00 -0.43 4.64 -0.84 -3.26 113.55 113.66 3gt7 h SER 130 Ca -0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3gt7 h SER 130 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.50 3gt7 h SER 130 CO 0.05 0.52 -0.37 1.23 -0.87 0.00 0.00 176.83 177.40 3gt7 h GLY 131 N 2.33 0.53 -3.66 -0.77 0.00 -1.42 -3.09 103.07 96.98 3gt7 h GLY 131 Ca -0.01 -0.50 -0.46 0.00 0.00 0.00 0.00 47.33 46.37 3gt7 h GLY 131 CO 0.07 0.45 0.59 3.33 0.00 0.00 0.00 176.54 180.98 3gt7 n VAL 132 N -4.05 2.95 -1.29 4.60 0.24 -1.18 -4.04 118.33 115.56 3gt7 n VAL 132 Ca -0.01 -1.85 -0.13 0.00 -2.04 0.00 0.00 64.34 60.30 3gt7 n VAL 132 Cb 0.48 -0.82 0.20 0.00 -1.47 0.00 0.00 33.84 32.24 3gt7 n VAL 132 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3gt7 n LYS 133 N -0.67 2.26 -0.13 7.34 4.76 -1.17 -4.40 118.16 126.15 3gt7 n LYS 133 Ca 0.48 -3.09 0.10 0.00 -2.87 0.00 0.00 58.31 52.94 3gt7 n LYS 133 Cb 1.14 -2.03 0.16 0.00 -1.84 0.00 0.00 35.03 32.46 3gt7 n LYS 133 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3gt7 n ARG 134 N -1.02 1.52 -0.58 1.97 1.74 -1.26 -5.13 116.66 113.91 3gt7 n ARG 134 Ca 0.46 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 3gt7 n ARG 134 Cb 1.37 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 3gt7 n ARG 134 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3gt7 n THR 135 N -1.30 0.00 0.00 0.55 -1.04 -1.26 -5.23 114.28 105.99 3gt7 n THR 135 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 3gt7 n THR 135 Cb 0.68 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 3gt7 n THR 135 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gt7 n GLU 142 N 0.00 0.00 0.10 -2.82 -0.58 -1.26 -5.13 120.64 110.95 3gt7 n GLU 142 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 3gt7 n GLU 142 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 3gt7 n GLU 142 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3gt7 h SER 143 N 0.00 0.17 -3.13 1.62 0.02 -2.10 -3.43 113.55 106.70 3gt7 h SER 143 Ca 0.00 -0.11 -0.66 0.00 -0.84 0.00 0.00 61.79 60.17 3gt7 h SER 143 Cb 0.00 -0.05 -0.35 0.00 0.14 0.00 0.00 62.40 62.14 3gt7 h SER 143 CO 0.00 0.84 -0.86 -0.63 -1.14 0.00 0.00 176.83 175.04 3gt7 s ILE 144 N -3.45 1.99 -0.03 3.27 1.01 -1.26 -5.11 121.20 117.62 3gt7 s ILE 144 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3gt7 s ILE 144 Cb 0.11 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.81 3gt7 s ILE 144 CO 0.80 0.53 -0.05 0.28 0.00 0.00 0.00 174.94 176.50 3gt7 s THR 145 N 1.11 0.50 0.31 2.92 -1.32 -1.26 -5.15 115.64 112.74 3gt7 s THR 145 Ca -0.00 -0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 3gt7 s THR 145 Cb -0.14 -0.49 -0.09 0.00 -1.51 0.00 0.00 72.50 70.27 3gt7 s THR 145 CO -0.08 0.19 0.82 -0.76 -2.21 0.00 0.00 174.62 172.58 3gt7 s LEU 146 N 0.50 4.20 -0.68 9.08 1.02 -1.26 -4.98 118.68 126.57 3gt7 s LEU 146 Ca -0.06 1.53 -0.01 0.00 0.02 0.00 0.00 54.13 55.61 3gt7 s LEU 146 Cb -0.10 -3.98 0.42 0.00 0.02 0.00 0.00 46.19 42.56 3gt7 s LEU 146 CO -0.00 -0.12 1.94 0.00 0.02 0.00 0.00 176.35 178.19 3gt7 n ALA 147 N 0.18 6.25 -0.91 4.21 0.00 -1.26 -5.13 120.51 123.84 3gt7 n ALA 147 Ca 0.02 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3gt7 n ALA 147 Cb 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3gt7 n ALA 147 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47