#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt s HIS 2 N 0.00 1.52 -0.11 1.61 4.02 -1.26 -3.92 115.29 117.15 2gdt s HIS 2 Ca 0.00 -0.43 -0.13 0.00 1.02 0.00 0.00 55.06 55.52 2gdt s HIS 2 Cb 0.00 -0.85 -0.05 0.00 -1.02 0.00 0.00 32.58 30.67 2gdt s HIS 2 CO 0.00 0.13 0.30 0.08 1.02 0.00 0.00 174.74 176.27 2gdt s VAL 3 N -1.18 5.27 0.03 -0.90 1.01 -0.10 -4.86 120.40 119.67 2gdt s VAL 3 Ca 0.03 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 2gdt s VAL 3 Cb -0.10 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2gdt s VAL 3 CO 0.03 0.49 1.10 -1.58 0.00 0.00 0.00 175.10 175.14 2gdt s GLN 4 N -0.25 4.48 0.22 2.72 0.74 -1.26 -0.24 119.66 126.08 2gdt s GLN 4 Ca 0.18 1.61 0.10 0.00 0.05 0.00 0.00 55.36 57.31 2gdt s GLN 4 Cb -0.14 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 2gdt s GLN 4 CO 0.07 -0.17 -0.19 -0.51 -0.55 0.00 0.00 175.29 173.93 2gdt s LEU 5 N 1.08 2.52 0.03 3.68 1.43 0.18 -4.96 118.68 122.64 2gdt s LEU 5 Ca 0.56 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2gdt s LEU 5 Cb -0.26 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 2gdt s LEU 5 CO 0.28 0.00 -0.09 -0.55 0.23 0.00 0.00 176.35 176.23 2gdt s SER 6 N -3.10 1.04 0.04 2.29 0.15 -1.26 -0.78 113.70 112.08 2gdt s SER 6 Ca 0.23 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.53 2gdt s SER 6 Cb -0.05 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2gdt s SER 6 CO 0.10 -0.04 -0.08 -0.76 1.20 0.00 0.00 173.24 173.66 2gdt s LEU 7 N -0.98 2.25 1.17 3.45 1.43 -0.38 -4.99 118.68 120.63 2gdt s LEU 7 Ca -0.03 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 2gdt s LEU 7 Cb -0.07 -0.20 0.27 0.00 0.03 0.00 0.00 46.19 46.22 2gdt s LEU 7 CO 0.00 -0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.28 2gdt s PRO 8 N -1.56 -0.92 -0.24 1.29 0.04 -1.26 -0.43 135.00 131.92 2gdt s PRO 8 Ca -0.09 0.49 0.02 0.00 0.04 0.00 0.00 61.00 61.47 2gdt s PRO 8 Cb -0.10 -1.58 0.05 0.00 0.04 0.00 0.00 34.50 32.91 2gdt s PRO 8 CO 0.01 -3.63 -0.12 0.08 0.04 0.00 0.00 177.00 173.38 2gdt s VAL 9 N -2.66 2.09 -0.07 -0.36 1.01 0.75 -3.17 120.40 117.99 2gdt s VAL 9 Ca 0.68 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2gdt s VAL 9 Cb -0.19 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2gdt s VAL 9 CO 0.61 0.05 -0.20 -0.76 0.00 0.00 0.00 175.10 174.80 2gdt s LEU 10 N 1.16 1.94 0.31 3.92 1.43 -1.21 -1.13 118.68 125.10 2gdt s LEU 10 Ca -0.07 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 2gdt s LEU 10 Cb -0.19 -1.15 -0.11 0.00 0.03 0.00 0.00 46.19 44.77 2gdt s LEU 10 CO -0.06 0.15 1.44 -1.10 0.23 0.00 0.00 176.35 177.00 2gdt s GLN 11 N 0.23 4.23 0.55 1.70 -1.52 -1.26 -4.59 119.66 119.00 2gdt s GLN 11 Ca -0.11 2.39 0.30 0.00 -1.95 0.00 0.00 55.36 55.99 2gdt s GLN 11 Cb -0.15 -3.05 1.46 0.00 -0.22 0.00 0.00 33.01 31.05 2gdt s GLN 11 CO 0.05 -0.42 1.91 -0.24 -0.25 0.00 0.00 175.29 176.34 2gdt h VAL 12 N 3.23 0.54 -0.08 1.09 3.04 -1.92 -0.99 116.25 121.17 2gdt h VAL 12 Ca -0.48 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.18 2gdt h VAL 12 Cb 1.23 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2gdt h VAL 12 CO 0.71 0.00 -0.05 0.08 -1.01 0.00 0.00 177.57 177.30 2gdt h ARG 13 N 0.00 0.17 -0.46 4.17 0.11 -1.99 -3.32 114.38 113.06 2gdt h ARG 13 Ca 0.35 -0.08 -0.09 0.00 0.10 0.00 0.00 59.98 60.26 2gdt h ARG 13 Cb 1.46 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.53 2gdt h ARG 13 CO -0.00 0.56 -0.06 -0.44 0.10 0.00 0.00 179.97 180.13 2gdt h ASP 14 N -0.22 0.84 0.00 0.08 3.32 -1.55 -3.35 116.42 115.54 2gdt h ASP 14 Ca 0.02 -0.34 -0.33 0.00 0.02 0.00 0.00 57.03 56.40 2gdt h ASP 14 Cb 0.52 -0.23 0.07 0.00 0.22 0.00 0.00 39.33 39.92 2gdt h ASP 14 CO 0.01 0.98 1.32 0.52 -1.72 0.00 0.00 179.24 180.35 2gdt n VAL 15 N -4.31 0.22 -0.31 -1.35 0.31 -1.07 -4.82 118.33 107.01 2gdt n VAL 15 Ca -0.00 -0.16 0.27 0.00 -0.01 0.00 0.00 64.34 64.44 2gdt n VAL 15 Cb 0.35 -1.81 0.41 0.00 -0.91 0.00 0.00 33.84 31.88 2gdt n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gdt n LEU 16 N 6.95 0.00 -3.61 7.52 -0.00 -1.26 -3.82 117.00 122.78 2gdt n LEU 16 Ca 0.27 0.57 -0.28 0.00 -0.00 0.00 0.00 56.01 56.57 2gdt n LEU 16 Cb 0.22 -0.25 -0.16 0.00 -0.00 0.00 0.00 43.42 43.24 2gdt n LEU 16 CO 0.86 -0.57 -0.34 0.54 -0.00 0.00 0.00 177.39 177.89 2gdt s VAL 17 N -3.90 0.14 -0.75 1.47 0.11 -1.26 -5.02 120.40 111.19 2gdt s VAL 17 Ca -0.02 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2gdt s VAL 17 Cb 0.13 -0.97 0.36 0.00 -1.53 0.00 0.00 36.38 34.38 2gdt s VAL 17 CO 0.45 -0.52 1.73 0.54 -3.33 0.00 0.00 175.10 173.97 2gdt n ARG 18 N 5.17 3.19 -3.32 1.54 3.00 -1.25 -4.57 116.66 120.42 2gdt n ARG 18 Ca -0.06 -3.93 -0.03 0.00 -0.01 0.00 0.00 57.85 53.82 2gdt n ARG 18 Cb 0.45 -2.28 -0.05 0.00 0.00 0.00 0.00 32.46 30.58 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2gdt s GLY 19 N -1.83 -0.69 0.37 -0.13 0.00 -1.26 -3.52 107.32 100.26 2gdt s GLY 19 Ca 0.50 1.52 0.28 0.00 0.00 0.00 0.00 44.72 47.01 2gdt s GLY 19 CO -0.32 2.99 1.81 0.74 0.00 0.00 0.00 173.10 178.31 2gdt h PHE 20 N 8.09 0.00 -2.05 1.90 0.04 -1.89 -3.47 116.94 119.56 2gdt h PHE 20 Ca -0.20 0.00 0.30 0.00 2.80 0.00 0.00 57.97 60.87 2gdt h PHE 20 Cb 1.15 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.22 2gdt h PHE 20 CO 0.13 0.00 0.82 0.20 -0.60 0.00 0.00 178.31 178.86 2gdt s GLY 21 N -3.84 -0.15 0.00 -1.45 0.00 -1.26 -4.74 107.32 95.88 2gdt s GLY 21 Ca 0.04 0.12 0.23 0.00 0.00 0.00 0.00 44.72 45.11 2gdt s GLY 21 CO 0.49 3.67 1.15 1.34 0.00 0.00 0.00 173.10 179.75 2gdt n ASP 22 N -0.95 1.34 -4.45 1.64 2.03 -1.26 -4.63 116.55 110.26 2gdt n ASP 22 Ca -0.01 -1.08 -0.24 0.00 0.52 0.00 0.00 54.79 53.98 2gdt n ASP 22 Cb 0.60 0.56 -0.10 0.00 -0.72 0.00 0.00 41.12 41.46 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gdt s SER 23 N -2.72 3.46 0.14 1.67 0.01 -1.26 -4.66 113.70 110.34 2gdt s SER 23 Ca 0.15 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.23 2gdt s SER 23 Cb 0.18 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 2gdt s SER 23 CO 0.68 0.03 1.78 1.62 0.41 0.00 0.00 173.24 177.75 2gdt h VAL 24 N 2.42 1.01 0.00 3.43 3.04 -1.92 -0.80 116.25 123.44 2gdt h VAL 24 Ca -0.41 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.12 2gdt h VAL 24 Cb 1.25 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2gdt h VAL 24 CO 0.59 0.06 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.64 2gdt h GLU 25 N 0.34 0.00 0.17 4.17 5.08 -1.99 -0.32 114.58 122.03 2gdt h GLU 25 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2gdt h GLU 25 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2gdt h GLU 25 CO -0.07 0.24 -0.08 0.93 -1.00 0.00 0.00 179.01 179.03 2gdt h GLU 26 N 0.00 -0.23 -0.63 2.33 4.39 -1.89 -3.30 114.58 115.25 2gdt h GLU 26 Ca -0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2gdt h GLU 26 Cb 0.75 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2gdt h GLU 26 CO 0.03 -0.15 0.36 0.00 -1.16 0.00 0.00 179.01 178.09 2gdt h ALA 27 N -1.86 0.81 -0.93 3.43 0.00 -0.63 0.63 119.26 120.70 2gdt h ALA 27 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2gdt h ALA 27 Cb 0.18 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2gdt h ALA 27 CO 0.04 0.31 0.62 1.25 0.00 0.00 0.00 179.25 181.47 2gdt h LEU 28 N 0.86 1.05 -0.02 0.00 6.46 -1.27 0.10 115.31 122.50 2gdt h LEU 28 Ca 0.22 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2gdt h LEU 28 Cb 0.02 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.69 2gdt h LEU 28 CO -0.04 0.75 -0.08 0.28 -0.62 0.00 0.00 178.44 178.73 2gdt h SER 29 N 1.24 0.11 -0.75 1.25 0.02 -1.24 -2.89 113.55 111.28 2gdt h SER 29 Ca 0.35 -0.65 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2gdt h SER 29 Cb -0.10 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2gdt h SER 29 CO -0.09 0.74 0.50 -0.33 -1.14 0.00 0.00 176.83 176.51 2gdt h GLU 30 N -0.52 0.98 0.46 3.45 4.39 -0.81 -1.59 114.58 120.94 2gdt h GLU 30 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2gdt h GLU 30 Cb 0.73 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2gdt h GLU 30 CO 0.02 0.65 -0.33 0.00 -1.16 0.00 0.00 179.01 178.19 2gdt h ALA 31 N 1.53 -0.78 -0.95 3.43 0.00 -1.02 0.70 119.26 122.19 2gdt h ALA 31 Ca 0.28 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.21 2gdt h ALA 31 Cb -0.10 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2gdt h ALA 31 CO -0.06 -0.96 0.60 0.00 0.00 0.00 0.00 179.25 178.82 2gdt h ARG 32 N -0.77 0.70 0.08 0.00 3.08 -1.15 0.24 114.38 116.56 2gdt h ARG 32 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2gdt h ARG 32 Cb 0.65 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2gdt h ARG 32 CO 0.02 0.46 -0.04 1.49 -1.07 0.00 0.00 179.97 180.83 2gdt h GLU 33 N 0.72 -0.10 0.00 0.04 4.57 -0.92 -2.05 114.58 116.84 2gdt h GLU 33 Ca 0.50 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 2gdt h GLU 33 Cb 0.80 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2gdt h GLU 33 CO -0.26 0.34 -0.04 1.12 -1.18 0.00 0.00 179.01 179.00 2gdt h HIS 34 N -0.59 0.00 -0.16 0.92 2.07 -0.15 -0.74 115.15 116.49 2gdt h HIS 34 Ca -0.01 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.43 2gdt h HIS 34 Cb 0.49 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.47 2gdt h HIS 34 CO 0.08 0.00 -0.19 -0.07 -3.07 0.00 0.00 177.93 174.68 2gdt h LEU 35 N 0.00 0.45 -0.98 6.12 3.38 -1.03 0.57 115.31 123.82 2gdt h LEU 35 Ca 0.00 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2gdt h LEU 35 Cb 0.77 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 2gdt h LEU 35 CO 0.00 0.86 0.65 0.50 0.09 0.00 0.00 178.44 180.54 2gdt h LYS 36 N 0.06 1.29 0.00 1.13 3.11 -0.57 -0.75 116.57 120.84 2gdt h LYS 36 Ca 0.02 -0.08 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 2gdt h LYS 36 Cb 0.74 -0.29 -0.00 0.00 -1.00 0.00 0.00 32.23 31.68 2gdt h LYS 36 CO 0.05 0.85 -0.09 -0.91 -2.81 0.00 0.00 179.45 176.54 2gdt h ASN 37 N 1.33 0.00 -3.80 4.20 2.35 -1.17 -3.47 115.58 115.02 2gdt h ASN 37 Ca 0.36 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.02 2gdt h ASN 37 Cb -0.15 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.29 2gdt h ASN 37 CO -0.08 0.09 -0.30 0.61 -1.65 0.00 0.00 177.43 176.10 2gdt n GLY 38 N -0.83 0.17 2.71 2.83 0.00 -0.29 -5.02 105.19 104.76 2gdt n GLY 38 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2gdt n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gdt n THR 39 N -2.12 1.01 -4.28 2.61 -2.24 0.13 -5.01 114.28 104.38 2gdt n THR 39 Ca -0.04 -2.52 -0.19 0.00 -2.27 0.00 0.00 64.05 59.03 2gdt n THR 39 Cb 0.55 1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 69.91 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt n GLY 41 N 0.40 4.66 3.52 0.00 0.00 0.12 -4.36 105.19 109.52 2gdt n GLY 41 Ca -0.14 -1.66 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 2gdt n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gdt s LEU 42 N 0.00 -0.63 -0.12 0.99 2.96 -1.19 -3.97 118.68 116.72 2gdt s LEU 42 Ca 0.00 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2gdt s LEU 42 Cb 0.00 2.50 0.02 0.00 0.50 0.00 0.00 46.19 49.21 2gdt s LEU 42 CO 0.00 -0.62 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.59 2gdt s VAL 43 N -1.37 1.44 0.44 1.68 1.01 0.12 -3.35 120.40 120.38 2gdt s VAL 43 Ca -0.10 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 2gdt s VAL 43 Cb -0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 2gdt s VAL 43 CO 0.08 0.43 1.31 -1.61 0.00 0.00 0.00 175.10 175.31 2gdt s GLU 44 N 1.25 3.77 -0.21 2.72 2.02 -1.26 -0.79 118.70 126.19 2gdt s GLU 44 Ca -0.01 2.14 -0.21 0.00 0.02 0.00 0.00 54.97 56.91 2gdt s GLU 44 Cb -0.14 -2.61 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 2gdt s GLU 44 CO -0.05 -0.65 0.65 -0.51 0.02 0.00 0.00 175.26 174.71 2gdt s LEU 45 N -2.73 4.12 0.29 1.80 1.43 -1.26 -4.85 118.68 117.47 2gdt s LEU 45 Ca 0.61 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2gdt s LEU 45 Cb -0.38 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2gdt s LEU 45 CO 0.47 -0.32 0.20 -0.70 0.23 0.00 0.00 176.35 176.24 2gdt s GLU 46 N 2.12 1.56 0.00 1.70 -6.30 -1.26 -5.07 118.70 111.45 2gdt s GLU 46 Ca 0.29 -1.88 0.00 0.00 -2.50 0.00 0.00 54.97 50.88 2gdt s GLU 46 Cb -0.16 0.19 0.00 0.00 0.00 0.00 0.00 34.13 34.16 2gdt s GLU 46 CO 0.10 -0.52 0.91 1.17 0.02 0.00 0.00 175.26 176.93 2gdt n LYS 47 N -0.51 0.00 -1.33 4.30 4.81 -1.26 -3.69 118.16 120.48 2gdt n LYS 47 Ca 0.04 0.44 -0.22 0.00 -0.87 0.00 0.00 58.31 57.70 2gdt n LYS 47 Cb 0.64 -1.42 -0.10 0.00 0.02 0.00 0.00 35.03 34.17 2gdt n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gdt n GLY 48 N -0.84 3.89 0.19 3.14 0.00 -1.26 -4.28 105.19 106.02 2gdt n GLY 48 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 2gdt n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdt n VAL 49 N 1.52 0.97 -0.27 1.61 0.31 -1.24 -4.49 118.33 116.74 2gdt n VAL 49 Ca 0.48 0.26 0.08 0.00 -0.01 0.00 0.00 64.34 65.15 2gdt n VAL 49 Cb 0.67 -1.97 0.22 0.00 -0.91 0.00 0.00 33.84 31.85 2gdt n VAL 49 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdt h LEU 50 N -0.57 0.13 0.00 7.52 3.38 -1.81 0.11 115.31 124.08 2gdt h LEU 50 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2gdt h LEU 50 Cb 0.57 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2gdt h LEU 50 CO 0.00 -0.01 0.00 -0.81 0.09 0.00 0.00 178.44 177.71 2gdt n PRO 51 N -5.11 0.18 -0.01 1.13 -0.04 -1.26 -2.26 135.00 127.64 2gdt n PRO 51 Ca 0.17 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2gdt n PRO 51 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2gdt n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gdt n GLN 52 N -1.36 0.62 -1.85 0.54 6.02 0.27 -4.98 117.38 116.63 2gdt n GLN 52 Ca 0.08 -0.15 -0.29 0.00 -0.01 0.00 0.00 57.00 56.62 2gdt n GLN 52 Cb 0.18 -1.45 0.08 0.00 1.02 0.00 0.00 30.24 30.08 2gdt n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gdt s LEU 53 N -4.11 2.61 0.00 1.08 2.01 -0.48 -4.94 118.68 114.86 2gdt s LEU 53 Ca -0.05 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.03 2gdt s LEU 53 Cb 0.13 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.79 2gdt s LEU 53 CO 0.80 -1.76 0.00 -0.62 1.01 0.00 0.00 176.35 175.78 2gdt n GLU 54 N -3.25 0.00 0.13 1.70 1.02 -1.23 -4.96 120.64 114.05 2gdt n GLU 54 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2gdt n GLU 54 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gdt n GLN 55 N 0.00 0.00 -2.20 3.49 6.02 -1.26 -4.99 117.38 118.44 2gdt n GLN 55 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2gdt s PRO 56 N -1.63 2.88 -0.80 -1.09 0.04 -1.26 -3.99 135.00 129.15 2gdt s PRO 56 Ca 0.00 -0.88 -0.26 0.00 0.04 0.00 0.00 61.00 59.90 2gdt s PRO 56 Cb 0.00 -5.22 0.03 0.00 0.04 0.00 0.00 34.50 29.35 2gdt s PRO 56 CO 0.00 -3.22 1.40 0.71 0.04 0.00 0.00 177.00 175.93 2gdt s TYR 57 N 8.80 2.26 -0.86 0.56 2.02 -0.16 -4.71 117.35 125.26 2gdt s TYR 57 Ca 0.64 -0.13 -0.25 0.00 -0.37 0.00 0.00 57.07 56.96 2gdt s TYR 57 Cb -0.03 -4.57 -0.02 0.00 -0.40 0.00 0.00 41.96 36.94 2gdt s TYR 57 CO 0.03 -2.06 1.79 0.08 -1.57 0.00 0.00 175.55 173.82 2gdt s VAL 58 N 6.05 3.54 0.77 0.71 1.01 -1.26 -2.54 120.40 128.69 2gdt s VAL 58 Ca 0.42 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2gdt s VAL 58 Cb -0.07 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2gdt s VAL 58 CO 0.09 -1.20 1.15 -0.36 0.00 0.00 0.00 175.10 174.78 2gdt s PHE 59 N 8.60 3.09 -0.14 5.22 0.08 0.10 -0.25 117.98 134.68 2gdt s PHE 59 Ca 0.62 0.87 0.02 0.00 0.12 0.00 0.00 56.93 58.57 2gdt s PHE 59 Cb -0.07 -3.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.07 2gdt s PHE 59 CO 0.03 -1.56 -0.18 0.96 -0.10 0.00 0.00 175.22 174.37 2gdt s ILE 60 N -3.48 1.80 0.02 0.64 -4.36 -0.68 -0.79 121.20 114.35 2gdt s ILE 60 Ca 0.61 -0.81 0.07 0.00 -0.26 0.00 0.00 60.65 60.25 2gdt s ILE 60 Cb -0.11 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2gdt s ILE 60 CO 0.50 0.50 -0.18 -1.59 0.24 0.00 0.00 174.94 174.41 2gdt s LYS 61 N 1.04 2.15 0.00 0.37 -2.85 -1.09 -0.79 119.74 118.57 2gdt s LYS 61 Ca -0.03 -0.93 -0.03 0.00 -1.00 0.00 0.00 55.97 53.98 2gdt s LYS 61 Cb -0.15 -2.21 -0.14 0.00 -2.06 0.00 0.00 37.83 33.28 2gdt s LYS 61 CO -0.05 0.56 2.43 2.89 0.10 0.00 0.00 175.35 181.28 2gdt n ARG 62 N 1.77 1.27 -1.22 1.78 1.85 -0.71 -1.99 116.66 119.41 2gdt n ARG 62 Ca -0.16 -0.51 0.14 0.00 -1.00 0.00 0.00 57.85 56.32 2gdt n ARG 62 Cb 0.52 -1.62 -0.05 0.00 -1.05 0.00 0.00 32.46 30.26 2gdt n ARG 62 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2gdt n SER 63 N 2.28 -6.51 -0.27 2.89 2.88 -1.11 -4.72 113.62 109.06 2gdt n SER 63 Ca 0.22 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2gdt n SER 63 Cb 0.59 -3.91 0.00 0.00 -0.75 0.00 0.00 64.21 60.15 2gdt n SER 63 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gdt n ASP 64 N -4.26 0.00 -3.00 -3.46 -0.08 -1.26 -4.93 116.55 99.56 2gdt n ASP 64 Ca -0.03 -1.42 -0.16 0.00 -1.51 0.00 0.00 54.79 51.66 2gdt n ASP 64 Cb 0.64 -0.08 -0.01 0.00 2.34 0.00 0.00 41.12 44.01 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gdt n ALA 65 N 0.00 0.77 0.05 -1.67 0.00 -1.26 -4.89 120.51 113.50 2gdt n ALA 65 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.90 2gdt n ALA 65 Cb 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2gdt n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gdt n LEU 66 N 1.21 -0.21 0.00 0.00 4.77 -1.26 -5.08 117.00 116.43 2gdt n LEU 66 Ca 0.16 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2gdt n LEU 66 Cb 0.60 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 2gdt n LEU 66 CO 0.12 -0.55 0.00 -1.20 -1.33 0.00 0.00 177.39 174.43 2gdt n SER 67 N -2.80 0.00 -3.19 -1.43 7.64 -1.26 -4.73 113.62 107.85 2gdt n SER 67 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2gdt n SER 67 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2gdt n SER 67 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2gdt n THR 68 N 0.00 0.00 -3.97 0.44 -2.24 -1.26 -5.00 114.28 102.26 2gdt n THR 68 Ca 0.00 -2.32 -0.41 0.00 -2.27 0.00 0.00 64.05 59.05 2gdt n THR 68 Cb 0.00 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 2gdt n THR 68 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2gdt n ASN 69 N -1.68 -4.48 -4.52 3.42 5.15 -1.26 -5.00 115.26 106.90 2gdt n ASN 69 Ca 0.07 -1.20 -0.25 0.00 -0.60 0.00 0.00 54.58 52.60 2gdt n ASN 69 Cb 0.60 -1.98 -0.11 0.00 -0.53 0.00 0.00 39.78 37.76 2gdt n ASN 69 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 2gdt s HIS 70 N -3.44 2.27 0.00 1.20 -3.43 -1.26 -5.13 115.29 105.50 2gdt s HIS 70 Ca 0.42 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.09 2gdt s HIS 70 Cb -0.22 -1.35 0.00 0.00 -1.43 0.00 0.00 32.58 29.59 2gdt s HIS 70 CO 0.94 0.46 0.00 0.41 -2.00 0.00 0.00 174.74 174.55 2gdt n GLY 71 N -0.75 1.19 3.53 -1.38 0.00 -1.26 -5.05 105.19 101.47 2gdt n GLY 71 Ca -0.05 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.16 2gdt n GLY 71 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gdt s HIS 72 N 1.20 1.43 -0.70 1.61 3.76 -1.26 -4.84 115.29 116.49 2gdt s HIS 72 Ca 0.00 1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 55.69 2gdt s HIS 72 Cb 0.00 -3.15 -0.13 0.00 1.11 0.00 0.00 32.58 30.41 2gdt s HIS 72 CO 0.00 -3.71 2.41 1.63 -0.85 0.00 0.00 174.74 174.23 2gdt n LYS 73 N -4.77 0.67 -2.17 1.40 4.01 -1.26 -4.94 118.16 111.11 2gdt n LYS 73 Ca 0.04 -0.46 -0.41 0.00 -0.51 0.00 0.00 58.31 56.96 2gdt n LYS 73 Cb 0.56 -3.36 -0.03 0.00 -0.51 0.00 0.00 35.03 31.69 2gdt n LYS 73 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gdt s VAL 74 N 12.82 3.01 0.44 -0.18 1.01 -1.26 -3.28 120.40 132.95 2gdt s VAL 74 Ca 0.99 0.87 0.03 0.00 0.00 0.00 0.00 61.98 63.87 2gdt s VAL 74 Cb -0.24 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2gdt s VAL 74 CO 0.19 0.15 0.08 0.68 0.00 0.00 0.00 175.10 176.20 2gdt s VAL 75 N -0.21 0.87 0.07 2.92 -7.23 -1.19 -2.74 120.40 112.90 2gdt s VAL 75 Ca 0.55 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.68 2gdt s VAL 75 Cb -0.38 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2gdt s VAL 75 CO 0.42 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.67 2gdt s GLU 76 N -3.78 0.74 0.20 4.82 0.41 -0.84 -4.52 118.70 115.73 2gdt s GLU 76 Ca 0.19 -1.14 -0.30 0.00 -0.41 0.00 0.00 54.97 53.31 2gdt s GLU 76 Cb 0.03 0.27 -0.08 0.00 -1.78 0.00 0.00 34.13 32.56 2gdt s GLU 76 CO 0.11 -0.19 1.27 -0.51 -0.49 0.00 0.00 175.26 175.45 2gdt s LEU 77 N -2.91 4.43 0.24 1.80 1.43 -1.26 -2.67 118.68 119.74 2gdt s LEU 77 Ca 0.08 2.35 0.04 0.00 -1.03 0.00 0.00 54.13 55.56 2gdt s LEU 77 Cb 0.07 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2gdt s LEU 77 CO -0.09 -0.47 -0.01 -0.69 0.23 0.00 0.00 176.35 175.31 2gdt s VAL 78 N 0.03 1.11 0.02 -1.59 1.01 0.03 -4.95 120.40 116.06 2gdt s VAL 78 Ca 0.55 -2.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 2gdt s VAL 78 Cb -0.35 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2gdt s VAL 78 CO 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 175.10 175.14 2gdt s ALA 79 N -3.37 0.13 -0.21 5.51 0.00 -1.26 -0.72 121.76 121.85 2gdt s ALA 79 Ca 0.29 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 2gdt s ALA 79 Cb 0.05 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.43 2gdt s ALA 79 CO 0.09 -0.17 0.37 -2.00 0.00 0.00 0.00 175.76 174.05 2gdt s GLU 80 N -1.59 0.30 0.07 0.00 -6.30 -1.05 -4.94 118.70 105.18 2gdt s GLU 80 Ca -0.15 0.76 0.27 0.00 -2.50 0.00 0.00 54.97 53.36 2gdt s GLU 80 Cb -0.09 -0.10 0.96 0.00 0.00 0.00 0.00 34.13 34.90 2gdt s GLU 80 CO -0.01 -0.42 1.78 0.00 0.02 0.00 0.00 175.26 176.62 2gdt n MET 81 N 5.37 0.10 0.00 4.30 0.00 -1.26 -0.99 117.12 124.65 2gdt n MET 81 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2gdt n MET 81 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 32.11 2gdt n MET 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2gdt n ASP 82 N -1.77 3.17 -0.81 3.17 -0.08 -1.26 -4.20 116.55 114.78 2gdt n ASP 82 Ca 0.06 -0.05 -0.04 0.00 -1.51 0.00 0.00 54.79 53.25 2gdt n ASP 82 Cb 0.37 0.74 0.01 0.00 2.34 0.00 0.00 41.12 44.58 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2gdt n GLY 83 N 1.69 0.49 0.36 0.27 0.00 -1.25 -4.98 105.19 101.77 2gdt n GLY 83 Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 2gdt n GLY 83 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gdt h ILE 84 N -0.29 0.08 -4.36 -0.61 2.04 -1.95 -3.41 117.51 109.00 2gdt h ILE 84 Ca -0.10 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.45 2gdt h ILE 84 Cb 1.07 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2gdt h ILE 84 CO 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 178.02 2gdt n GLN 85 N -5.48 1.21 0.00 2.37 1.13 -1.26 -4.95 117.38 110.40 2gdt n GLN 85 Ca 0.09 -1.81 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 2gdt n GLN 85 Cb 0.39 0.62 0.00 0.00 0.11 0.00 0.00 30.24 31.36 2gdt n GLN 85 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2gdt n TYR 86 N -0.58 0.00 0.03 1.08 4.01 -1.26 -4.66 117.16 115.78 2gdt n TYR 86 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.61 2gdt n TYR 86 Cb 0.32 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2gdt n TYR 86 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gdt h GLY 87 N 0.00 -1.20 -5.46 2.72 0.00 -1.93 -3.16 103.07 94.04 2gdt h GLY 87 Ca 0.00 0.56 -0.69 0.00 0.00 0.00 0.00 47.33 47.20 2gdt h GLY 87 CO 0.00 -0.41 3.50 -2.13 0.00 0.00 0.00 176.54 177.50 2gdt n ARG 88 N -3.30 3.36 -3.55 4.80 0.63 -1.26 -4.80 116.66 112.53 2gdt n ARG 88 Ca -0.02 -2.41 -0.12 0.00 -0.92 0.00 0.00 57.85 54.37 2gdt n ARG 88 Cb 0.12 -3.01 -0.02 0.00 0.45 0.00 0.00 32.46 29.99 2gdt n ARG 88 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2gdt n SER 89 N 4.63 -1.18 -0.05 6.15 2.88 -1.19 -5.09 113.62 119.77 2gdt n SER 89 Ca 0.67 -2.56 -0.04 0.00 -1.33 0.00 0.00 58.87 55.60 2gdt n SER 89 Cb 0.30 2.17 -0.10 0.00 -0.75 0.00 0.00 64.21 65.83 2gdt n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gdt n GLY 90 N -0.48 -0.63 0.37 0.46 0.00 -1.26 -4.47 105.19 99.18 2gdt n GLY 90 Ca 0.00 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 45.99 2gdt n GLY 90 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gdt h ILE 91 N 0.00 0.67 -3.73 -0.61 2.10 -1.96 -3.41 117.51 110.57 2gdt h ILE 91 Ca -0.30 0.00 -0.64 0.00 1.08 0.00 0.00 64.86 65.01 2gdt h ILE 91 Cb 1.62 0.74 -0.16 0.00 -1.09 0.00 0.00 36.82 37.94 2gdt h ILE 91 CO 0.02 0.00 -0.28 -0.89 -1.08 0.00 0.00 178.15 175.91 2gdt s THR 92 N -4.93 5.19 -0.09 2.19 2.01 -1.26 -1.74 115.64 117.01 2gdt s THR 92 Ca -0.05 0.37 0.15 0.00 0.31 0.00 0.00 61.69 62.47 2gdt s THR 92 Cb 0.19 -3.71 -0.14 0.00 0.01 0.00 0.00 72.50 68.84 2gdt s THR 92 CO 0.69 0.09 0.91 -0.07 -0.69 0.00 0.00 174.62 175.55 2gdt h LEU 93 N 8.62 0.00 0.00 4.42 3.38 -1.19 -3.47 115.31 127.07 2gdt h LEU 93 Ca -0.31 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2gdt h LEU 93 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2gdt h LEU 93 CO 0.65 0.70 0.03 0.61 0.09 0.00 0.00 178.44 180.52 2gdt n GLY 94 N 1.41 0.44 3.64 0.83 0.00 -1.26 -4.37 105.19 105.88 2gdt n GLY 94 Ca -0.09 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2gdt n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdt s VAL 95 N -2.04 3.66 0.22 1.61 1.01 0.03 -1.69 120.40 123.19 2gdt s VAL 95 Ca 0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 2gdt s VAL 95 Cb -0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 2gdt s VAL 95 CO -0.00 -0.00 0.61 -0.76 0.00 0.00 0.00 175.10 174.95 2gdt s LEU 96 N -2.60 4.23 0.04 3.92 2.01 0.65 0.12 118.68 127.05 2gdt s LEU 96 Ca 0.25 1.11 -0.07 0.00 0.01 0.00 0.00 54.13 55.43 2gdt s LEU 96 Cb -0.10 -3.60 -0.00 0.00 0.01 0.00 0.00 46.19 42.49 2gdt s LEU 96 CO 0.17 -0.02 0.14 0.68 1.01 0.00 0.00 176.35 178.33 2gdt s VAL 97 N -1.69 0.13 0.44 -1.59 -7.23 -1.25 -4.66 120.40 104.54 2gdt s VAL 97 Ca 0.45 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 59.32 2gdt s VAL 97 Cb -0.13 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 2gdt s VAL 97 CO 0.20 -0.57 1.41 -2.84 -0.31 0.00 0.00 175.10 172.99 2gdt s PRO 98 N -2.74 3.77 -0.22 4.82 0.02 -1.26 0.12 135.00 139.51 2gdt s PRO 98 Ca -0.04 2.39 -0.23 0.00 0.02 0.00 0.00 61.00 63.14 2gdt s PRO 98 Cb -0.00 -2.70 -0.01 0.00 0.02 0.00 0.00 34.50 31.80 2gdt s PRO 98 CO -0.05 -0.74 0.76 -1.58 -0.33 0.00 0.00 177.00 175.06 2gdt s HIS 99 N -1.20 3.35 -0.33 6.54 2.46 -0.26 -4.34 115.29 121.50 2gdt s HIS 99 Ca 0.60 1.07 0.17 0.00 0.47 0.00 0.00 55.06 57.36 2gdt s HIS 99 Cb -0.43 -2.96 0.44 0.00 -0.13 0.00 0.00 32.58 29.50 2gdt s HIS 99 CO 0.56 -0.31 0.97 1.55 -2.47 0.00 0.00 174.74 175.04 2gdt n VAL 100 N 5.01 0.79 -0.97 0.89 3.14 -1.26 -4.61 118.33 121.32 2gdt n VAL 100 Ca 0.03 -3.04 0.00 0.00 -2.96 0.00 0.00 64.34 58.37 2gdt n VAL 100 Cb 0.48 0.62 0.00 0.00 -1.06 0.00 0.00 33.84 33.89 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2gdt n GLY 101 N -0.07 0.48 0.00 7.55 0.00 -1.26 -4.88 105.19 107.01 2gdt n GLY 101 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 2gdt n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gdt n GLU 102 N -2.01 0.28 -1.80 1.61 -0.58 -1.26 -4.90 120.64 111.98 2gdt n GLU 102 Ca 0.00 0.08 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2gdt n GLU 102 Cb 0.09 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2gdt n THR 103 N -1.12 -6.28 -1.71 2.62 -1.04 -1.26 -4.88 114.28 100.62 2gdt n THR 103 Ca 0.07 0.96 -0.29 0.00 -2.04 0.00 0.00 64.05 62.75 2gdt n THR 103 Cb 0.06 -4.46 0.14 0.00 -1.82 0.00 0.00 70.33 64.25 2gdt n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gdt s PRO 104 N -0.99 1.08 -0.00 -2.82 0.04 -1.26 -4.73 135.00 126.33 2gdt s PRO 104 Ca -0.08 0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.03 2gdt s PRO 104 Cb 0.01 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2gdt s PRO 104 CO 0.23 -2.19 0.09 0.44 0.04 0.00 0.00 177.00 175.61 2gdt n ILE 105 N -3.71 0.00 -3.38 0.56 -0.00 -0.28 -5.00 119.36 107.54 2gdt n ILE 105 Ca 0.10 -0.12 -0.02 0.00 -0.00 0.00 0.00 62.75 62.70 2gdt n ILE 105 Cb 0.60 0.49 0.01 0.00 -0.00 0.00 0.00 39.64 40.74 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt n ALA 106 N -1.56 -0.68 -2.42 -1.28 0.00 -1.21 -5.01 120.51 108.35 2gdt n ALA 106 Ca -0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 2gdt n ALA 106 Cb 0.09 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 2gdt n ALA 106 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gdt s TYR 107 N -5.99 1.61 0.24 0.00 1.51 -1.26 -0.18 117.35 113.28 2gdt s TYR 107 Ca 0.06 -0.55 0.10 0.00 -1.01 0.00 0.00 57.07 55.67 2gdt s TYR 107 Cb -0.01 -0.80 -0.05 0.00 -0.11 0.00 0.00 41.96 40.99 2gdt s TYR 107 CO 0.03 0.26 -0.17 0.50 -1.11 0.00 0.00 175.55 175.05 2gdt s ARG 108 N -3.05 1.50 -0.08 -0.62 6.06 0.43 -4.83 118.95 118.36 2gdt s ARG 108 Ca 0.15 -1.67 0.01 0.00 -2.50 0.00 0.00 55.73 51.72 2gdt s ARG 108 Cb -0.03 -1.45 0.02 0.00 0.06 0.00 0.00 34.95 33.55 2gdt s ARG 108 CO 0.05 0.26 -0.09 0.54 -2.50 0.00 0.00 175.30 173.56 2gdt s ASN 109 N -3.37 1.86 -0.12 -2.12 4.22 -1.26 -1.25 114.94 112.90 2gdt s ASN 109 Ca 0.26 -0.28 -0.05 0.00 -2.14 0.00 0.00 52.86 50.65 2gdt s ASN 109 Cb -0.03 -0.79 0.05 0.00 1.28 0.00 0.00 41.25 41.77 2gdt s ASN 109 CO 0.11 -0.05 0.26 0.68 -2.04 0.00 0.00 177.10 176.06 2gdt s VAL 110 N 1.18 -0.19 0.65 3.54 -7.23 0.04 -5.01 120.40 113.37 2gdt s VAL 110 Ca -0.05 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 2gdt s VAL 110 Cb -0.14 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 2gdt s VAL 110 CO -0.02 0.08 1.05 -0.76 -0.31 0.00 0.00 175.10 175.14 2gdt s LEU 111 N 1.73 3.13 -0.01 1.32 2.01 -1.21 -0.65 118.68 125.01 2gdt s LEU 111 Ca -0.05 1.34 -0.00 0.00 0.01 0.00 0.00 54.13 55.42 2gdt s LEU 111 Cb -0.11 -4.31 0.01 0.00 0.01 0.00 0.00 46.19 41.79 2gdt s LEU 111 CO -0.09 -1.01 0.02 -0.22 1.01 0.00 0.00 176.35 176.07 2gdt s LEU 112 N -5.23 1.63 0.34 1.79 0.20 0.67 -3.17 118.68 114.91 2gdt s LEU 112 Ca 0.56 0.04 -0.29 0.00 0.69 0.00 0.00 54.13 55.14 2gdt s LEU 112 Cb -0.11 0.03 -0.12 0.00 -0.43 0.00 0.00 46.19 45.56 2gdt s LEU 112 CO 0.53 -0.05 1.46 0.54 -0.29 0.00 0.00 176.35 178.55 2gdt n ARG 113 N 3.46 2.53 -3.93 1.98 1.74 -1.26 -0.93 116.66 120.26 2gdt n ARG 113 Ca -0.18 0.89 -0.09 0.00 -0.77 0.00 0.00 57.85 57.70 2gdt n ARG 113 Cb 0.57 -2.60 -0.09 0.00 -1.02 0.00 0.00 32.46 29.32 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gdt s LYS 114 N -1.61 0.58 0.20 5.56 1.02 -1.25 -4.82 119.74 119.42 2gdt s LYS 114 Ca 0.57 -0.73 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 2gdt s LYS 114 Cb -0.51 0.23 0.13 0.00 -0.52 0.00 0.00 37.83 37.16 2gdt s LYS 114 CO 0.59 -0.14 1.85 -2.95 -0.92 0.00 0.00 175.35 173.78 2gdt h ASN 115 N 3.71 0.82 0.00 2.83 7.08 -1.96 -3.43 115.58 124.62 2gdt h ASN 115 Ca -0.32 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 2gdt h ASN 115 Cb 1.19 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 37.22 2gdt h ASN 115 CO 0.50 0.62 0.00 0.61 -2.08 0.00 0.00 177.43 177.08