#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt n HIS 2 N 0.00 -3.10 -3.72 1.61 -0.00 -1.26 -4.96 115.22 103.78 2gdt n HIS 2 Ca 0.00 1.22 -0.15 0.00 -0.00 0.00 0.00 57.72 58.78 2gdt n HIS 2 Cb 0.00 -2.17 -0.15 0.00 -0.00 0.00 0.00 29.99 27.66 2gdt n HIS 2 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2gdt s VAL 3 N -1.53 -0.11 0.42 1.59 -7.23 -0.87 -4.81 120.40 107.85 2gdt s VAL 3 Ca 0.00 0.26 -0.23 0.00 -1.81 0.00 0.00 61.98 60.20 2gdt s VAL 3 Cb 0.00 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.64 2gdt s VAL 3 CO 0.00 0.11 1.05 -1.58 -0.31 0.00 0.00 175.10 174.37 2gdt s GLN 4 N 1.54 4.06 -0.10 4.82 0.74 -1.26 -0.70 119.66 128.76 2gdt s GLN 4 Ca -0.05 1.49 -0.04 0.00 0.05 0.00 0.00 55.36 56.81 2gdt s GLN 4 Cb -0.12 -2.43 0.05 0.00 1.10 0.00 0.00 33.01 31.61 2gdt s GLN 4 CO -0.05 -0.23 0.21 -0.51 -0.55 0.00 0.00 175.29 174.16 2gdt s LEU 5 N -2.85 0.22 0.76 3.68 1.43 0.31 -4.91 118.68 117.31 2gdt s LEU 5 Ca 0.60 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2gdt s LEU 5 Cb -0.21 0.54 0.05 0.00 0.03 0.00 0.00 46.19 46.61 2gdt s LEU 5 CO 0.26 -0.20 1.14 -0.44 0.23 0.00 0.00 176.35 177.35 2gdt s SER 6 N 1.72 4.92 0.01 2.29 0.01 -1.26 -0.86 113.70 120.53 2gdt s SER 6 Ca -0.04 0.93 -0.07 0.00 1.31 0.00 0.00 55.95 58.08 2gdt s SER 6 Cb -0.11 -1.56 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 2gdt s SER 6 CO -0.07 -1.66 0.13 -0.76 0.41 0.00 0.00 173.24 171.29 2gdt s LEU 7 N -5.48 1.59 0.73 2.44 1.43 -0.07 -4.91 118.68 114.41 2gdt s LEU 7 Ca 0.60 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 2gdt s LEU 7 Cb -0.11 0.66 0.04 0.00 0.03 0.00 0.00 46.19 46.81 2gdt s LEU 7 CO 0.50 -0.39 1.11 -2.16 0.23 0.00 0.00 176.35 175.64 2gdt s PRO 8 N -1.56 2.42 -0.20 1.29 0.04 -1.26 -0.72 135.00 135.01 2gdt s PRO 8 Ca -0.13 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.17 2gdt s PRO 8 Cb -0.07 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2gdt s PRO 8 CO 0.01 -1.54 -0.03 0.08 0.04 0.00 0.00 177.00 175.56 2gdt s VAL 9 N -2.61 3.67 -0.03 -0.36 1.01 0.16 -0.80 120.40 121.43 2gdt s VAL 9 Ca 0.64 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2gdt s VAL 9 Cb -0.19 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2gdt s VAL 9 CO 0.49 0.44 -0.25 -0.76 0.00 0.00 0.00 175.10 175.03 2gdt s LEU 10 N 1.05 2.13 0.36 3.92 1.43 -1.15 -1.82 118.68 124.59 2gdt s LEU 10 Ca 0.01 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.38 2gdt s LEU 10 Cb -0.15 -1.37 -0.11 0.00 0.03 0.00 0.00 46.19 44.59 2gdt s LEU 10 CO 0.01 0.31 1.48 0.00 0.23 0.00 0.00 176.35 178.37 2gdt n GLN 11 N 2.52 2.59 0.02 1.70 6.02 -1.26 -4.69 117.38 124.28 2gdt n GLN 11 Ca -0.16 0.91 0.15 0.00 -0.01 0.00 0.00 57.00 57.89 2gdt n GLN 11 Cb 0.51 -2.63 0.62 0.00 1.02 0.00 0.00 30.24 29.77 2gdt n GLN 11 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2gdt h VAL 12 N 2.95 0.83 0.00 5.09 3.04 -1.95 -0.04 116.25 126.18 2gdt h VAL 12 Ca -0.49 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 2gdt h VAL 12 Cb 1.25 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2gdt h VAL 12 CO 0.66 0.02 -0.46 0.08 -1.01 0.00 0.00 177.57 176.87 2gdt h ARG 13 N 0.12 0.00 -0.07 4.17 0.11 -1.99 -3.33 114.38 113.40 2gdt h ARG 13 Ca 0.22 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.10 2gdt h ARG 13 Cb 0.69 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.77 2gdt h ARG 13 CO -0.03 0.02 -0.79 -0.44 0.10 0.00 0.00 179.97 178.84 2gdt h ASP 14 N 0.00 0.57 0.00 0.08 3.32 -1.35 -3.41 116.42 115.62 2gdt h ASP 14 Ca -0.00 -0.39 -0.51 0.00 0.02 0.00 0.00 57.03 56.15 2gdt h ASP 14 Cb 1.03 -0.17 0.05 0.00 0.22 0.00 0.00 39.33 40.45 2gdt h ASP 14 CO 0.00 1.15 2.20 0.52 -1.72 0.00 0.00 179.24 181.40 2gdt n VAL 15 N -3.83 1.68 -0.09 -1.35 0.31 -1.18 -4.85 118.33 109.03 2gdt n VAL 15 Ca -0.05 -1.26 0.05 0.00 -0.01 0.00 0.00 64.34 63.07 2gdt n VAL 15 Cb 0.74 -2.16 0.10 0.00 -0.91 0.00 0.00 33.84 31.61 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 6.42 0.02 -4.07 7.52 -0.00 -1.26 -3.62 117.00 122.00 2gdt n LEU 16 Ca 0.44 0.43 -0.35 0.00 -0.00 0.00 0.00 56.01 56.53 2gdt n LEU 16 Cb 0.29 -0.18 -0.12 0.00 -0.00 0.00 0.00 43.42 43.42 2gdt n LEU 16 CO 0.91 -0.45 -0.10 -0.69 -0.00 0.00 0.00 177.39 177.06 2gdt s VAL 17 N -4.76 3.24 -0.78 1.47 1.01 -1.26 -4.93 120.40 114.38 2gdt s VAL 17 Ca -0.03 -2.66 0.15 0.00 0.00 0.00 0.00 61.98 59.44 2gdt s VAL 17 Cb 0.08 -3.19 0.70 0.00 0.00 0.00 0.00 36.38 33.96 2gdt s VAL 17 CO 0.20 -0.77 1.58 0.54 0.00 0.00 0.00 175.10 176.65 2gdt n ARG 18 N 3.87 3.97 -3.15 2.72 1.74 -1.24 -4.43 116.66 120.14 2gdt n ARG 18 Ca 0.04 -2.70 0.04 0.00 -0.77 0.00 0.00 57.85 54.46 2gdt n ARG 18 Cb 0.38 -2.01 -0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2gdt s GLY 19 N -0.78 -1.23 0.26 -0.13 0.00 -1.26 -4.19 107.32 100.00 2gdt s GLY 19 Ca 0.48 1.18 -0.06 0.00 0.00 0.00 0.00 44.72 46.31 2gdt s GLY 19 CO 0.19 3.74 1.46 0.69 0.00 0.00 0.00 173.10 179.17 2gdt n PHE 20 N 5.38 0.36 -4.27 1.90 3.72 -1.26 -4.38 117.46 118.91 2gdt n PHE 20 Ca 0.06 1.14 -0.14 0.00 -0.05 0.00 0.00 57.45 58.45 2gdt n PHE 20 Cb 0.54 -1.06 -0.04 0.00 -0.94 0.00 0.00 39.48 37.98 2gdt n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gdt n GLY 21 N -1.58 3.52 0.28 1.37 0.00 -1.26 -4.96 105.19 102.56 2gdt n GLY 21 Ca 0.16 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.35 2gdt n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gdt n ASP 22 N -1.86 0.87 -4.36 1.61 9.92 -1.26 -4.66 116.55 116.81 2gdt n ASP 22 Ca -0.01 -1.27 -0.24 0.00 -0.53 0.00 0.00 54.79 52.73 2gdt n ASP 22 Cb 0.37 -0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.73 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2gdt s SER 23 N -2.02 2.95 0.03 -2.24 0.01 -1.26 -4.59 113.70 106.58 2gdt s SER 23 Ca 0.42 -0.82 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 2gdt s SER 23 Cb 0.21 -0.19 -0.17 0.00 0.21 0.00 0.00 66.02 66.09 2gdt s SER 23 CO 0.35 0.05 1.46 1.62 0.41 0.00 0.00 173.24 177.13 2gdt h VAL 24 N 3.45 1.25 0.00 3.43 3.04 -1.92 0.03 116.25 125.53 2gdt h VAL 24 Ca -0.45 -0.75 -0.06 0.00 -1.01 0.00 0.00 66.70 64.43 2gdt h VAL 24 Cb 1.20 1.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 2gdt h VAL 24 CO 0.47 0.20 -0.30 -0.33 -1.01 0.00 0.00 177.57 176.59 2gdt h GLU 25 N -0.22 0.00 0.41 4.17 5.08 -1.97 0.19 114.58 122.23 2gdt h GLU 25 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2gdt h GLU 25 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2gdt h GLU 25 CO 0.00 0.30 -0.20 0.93 -1.00 0.00 0.00 179.01 179.05 2gdt h GLU 26 N 0.00 -0.53 -0.73 2.33 4.39 -1.95 -3.14 114.58 114.96 2gdt h GLU 26 Ca -0.00 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2gdt h GLU 26 Cb 0.66 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2gdt h GLU 26 CO 0.04 -0.35 0.48 0.00 -1.16 0.00 0.00 179.01 178.02 2gdt h ALA 27 N -1.63 1.50 -0.40 3.43 0.00 -0.37 0.13 119.26 121.92 2gdt h ALA 27 Ca -0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2gdt h ALA 27 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2gdt h ALA 27 CO 0.09 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 2gdt h LEU 28 N 0.97 0.62 0.74 0.00 6.46 -1.13 0.57 115.31 123.54 2gdt h LEU 28 Ca 0.27 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2gdt h LEU 28 Cb -0.08 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2gdt h LEU 28 CO -0.06 0.70 -0.36 -1.28 -0.62 0.00 0.00 178.44 176.82 2gdt h SER 29 N 0.61 -0.85 -0.66 1.25 0.87 -0.75 -3.20 113.55 110.82 2gdt h SER 29 Ca 0.12 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2gdt h SER 29 Cb 0.40 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2gdt h SER 29 CO 0.02 -0.52 0.36 -0.33 -0.53 0.00 0.00 176.83 175.83 2gdt h GLU 30 N -1.15 0.94 0.05 2.24 4.39 -0.97 -2.32 114.58 117.77 2gdt h GLU 30 Ca -0.10 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.52 2gdt h GLU 30 Cb 0.79 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 2gdt h GLU 30 CO 0.17 0.70 -0.40 0.00 -1.16 0.00 0.00 179.01 178.32 2gdt h ALA 31 N 1.45 -0.66 -0.83 3.43 0.00 -0.97 0.29 119.26 121.97 2gdt h ALA 31 Ca 0.24 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2gdt h ALA 31 Cb 0.04 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2gdt h ALA 31 CO -0.04 -0.94 0.54 0.00 0.00 0.00 0.00 179.25 178.81 2gdt h ARG 32 N -0.59 0.79 -0.11 0.00 3.08 -1.42 0.82 114.38 116.96 2gdt h ARG 32 Ca 0.04 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2gdt h ARG 32 Cb 0.65 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2gdt h ARG 32 CO -0.28 0.52 -0.21 1.49 -1.07 0.00 0.00 179.97 180.43 2gdt h GLU 33 N 0.82 0.33 -0.40 0.04 4.81 -0.92 -1.99 114.58 117.27 2gdt h GLU 33 Ca 0.38 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 2gdt h GLU 33 Cb 0.39 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2gdt h GLU 33 CO -0.15 0.80 -0.35 0.45 -0.73 0.00 0.00 179.01 179.03 2gdt h HIS 34 N -0.10 1.12 -0.54 0.92 3.86 0.22 -1.01 115.15 119.61 2gdt h HIS 34 Ca 0.00 -0.33 0.06 0.00 -1.16 0.00 0.00 60.37 58.95 2gdt h HIS 34 Cb 0.79 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2gdt h HIS 34 CO 0.11 1.15 0.25 -0.07 0.86 0.00 0.00 177.93 180.23 2gdt h LEU 35 N 0.76 0.34 -0.86 2.43 3.38 -0.92 0.30 115.31 120.73 2gdt h LEU 35 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2gdt h LEU 35 Cb 0.95 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2gdt h LEU 35 CO 0.09 0.23 0.45 0.50 0.09 0.00 0.00 178.44 179.79 2gdt h LYS 36 N 0.48 1.22 0.00 1.13 3.64 -0.80 -2.37 116.57 119.88 2gdt h LYS 36 Ca 0.25 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2gdt h LYS 36 Cb 0.20 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2gdt h LYS 36 CO -0.20 0.92 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.91 2gdt h ASN 37 N 1.22 0.00 0.00 4.20 2.35 -0.56 -3.47 115.58 119.32 2gdt h ASN 37 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2gdt h ASN 37 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2gdt h ASN 37 CO -0.04 0.08 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 2gdt n GLY 38 N 0.54 1.18 1.66 2.83 0.00 0.80 -4.97 105.19 107.23 2gdt n GLY 38 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 2.31 -4.20 2.61 -2.24 0.29 -4.80 114.28 106.24 2gdt n THR 39 Ca 0.00 -0.97 -0.18 0.00 -2.27 0.00 0.00 64.05 60.63 2gdt n THR 39 Cb 0.00 -1.42 -0.12 0.00 -2.10 0.00 0.00 70.33 66.69 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt s GLY 41 N -2.03 2.08 -0.07 0.00 0.00 0.45 -4.44 107.32 103.32 2gdt s GLY 41 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2gdt s GLY 41 CO 0.03 -1.65 -0.05 -2.27 0.00 0.00 0.00 173.10 169.16 2gdt s LEU 42 N -3.41 3.30 -0.09 0.66 2.96 0.02 -2.20 118.68 119.91 2gdt s LEU 42 Ca 0.34 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2gdt s LEU 42 Cb 0.06 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2gdt s LEU 42 CO 0.16 0.36 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.71 2gdt s VAL 43 N -0.85 2.88 0.04 1.68 1.01 0.48 -2.96 120.40 122.67 2gdt s VAL 43 Ca 0.13 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2gdt s VAL 43 Cb -0.11 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 2gdt s VAL 43 CO 0.02 0.55 1.32 -1.61 0.00 0.00 0.00 175.10 175.39 2gdt s GLU 44 N -0.08 4.34 0.02 2.72 2.02 -1.26 -0.94 118.70 125.51 2gdt s GLU 44 Ca -0.03 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.57 2gdt s GLU 44 Cb -0.14 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 2gdt s GLU 44 CO 0.04 -0.44 1.29 -0.51 0.02 0.00 0.00 175.26 175.66 2gdt s LEU 45 N 1.71 4.33 0.35 1.80 1.43 -1.26 -4.85 118.68 122.19 2gdt s LEU 45 Ca 0.62 2.04 -0.01 0.00 -1.03 0.00 0.00 54.13 55.74 2gdt s LEU 45 Cb -0.31 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2gdt s LEU 45 CO 0.28 -0.60 0.46 -1.61 0.23 0.00 0.00 176.35 175.10 2gdt s GLU 46 N 1.79 1.91 0.06 1.70 2.02 -1.26 -5.06 118.70 119.86 2gdt s GLU 46 Ca 0.60 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 53.49 2gdt s GLU 46 Cb -0.30 0.43 -0.17 0.00 0.10 0.00 0.00 34.13 34.20 2gdt s GLU 46 CO 0.27 -0.79 1.47 -0.22 0.02 0.00 0.00 175.26 176.01 2gdt h LYS 47 N 2.10 -1.01 -0.91 1.61 3.64 -1.98 -3.29 116.57 116.74 2gdt h LYS 47 Ca -0.28 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2gdt h LYS 47 Cb 1.24 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2gdt h LYS 47 CO 0.38 -0.67 0.00 0.41 -2.27 0.00 0.00 179.45 177.30 2gdt n GLY 48 N -1.54 1.33 0.11 5.01 0.00 -1.26 -3.68 105.19 105.16 2gdt n GLY 48 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.23 1.37 -0.20 1.61 0.31 -1.24 -4.44 118.33 115.97 2gdt n VAL 49 Ca 0.00 0.18 -0.02 0.00 -0.01 0.00 0.00 64.34 64.48 2gdt n VAL 49 Cb 0.26 -2.26 0.04 0.00 -0.91 0.00 0.00 33.84 30.97 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 -0.89 -0.79 0.00 7.52 3.38 -1.76 0.65 115.31 123.42 2gdt h LEU 50 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gdt h LEU 50 Cb 0.89 0.45 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2gdt h LEU 50 CO 0.00 -0.25 0.00 -0.81 0.09 0.00 0.00 178.44 177.47 2gdt n PRO 51 N -5.44 0.10 0.03 1.13 -0.04 -1.26 -1.68 135.00 127.84 2gdt n PRO 51 Ca 0.06 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 2gdt n PRO 51 Cb 0.34 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.42 0.64 -1.87 0.54 6.02 0.12 -4.99 117.38 116.42 2gdt n GLN 52 Ca 0.06 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 2gdt n GLN 52 Cb 0.19 -1.68 0.07 0.00 1.02 0.00 0.00 30.24 29.83 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 -5.15 2.68 0.00 1.08 1.43 -0.61 -5.03 118.68 113.08 2gdt s LEU 53 Ca -0.05 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2gdt s LEU 53 Cb 0.11 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2gdt s LEU 53 CO 0.84 -1.66 0.30 -0.62 0.23 0.00 0.00 176.35 175.44 2gdt n GLU 54 N -3.19 0.00 0.11 1.70 -0.58 -1.26 -4.99 120.64 112.43 2gdt n GLU 54 Ca 0.07 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2gdt n GLU 54 Cb 0.59 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 2gdt n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gdt n GLN 55 N -0.56 0.00 -2.48 3.49 -0.06 -1.26 -5.04 117.38 111.47 2gdt n GLN 55 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.61 2gdt n GLN 55 Cb 0.00 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.15 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2gdt s PRO 56 N -2.00 3.45 -0.76 3.69 0.04 -1.26 -4.29 135.00 133.87 2gdt s PRO 56 Ca 0.00 -1.05 -0.26 0.00 0.04 0.00 0.00 61.00 59.73 2gdt s PRO 56 Cb 0.00 -5.32 0.02 0.00 0.04 0.00 0.00 34.50 29.24 2gdt s PRO 56 CO 0.00 -2.41 1.40 0.71 0.04 0.00 0.00 177.00 176.74 2gdt s TYR 57 N 5.77 2.21 -0.26 0.56 2.02 -1.25 -4.66 117.35 121.74 2gdt s TYR 57 Ca 0.50 -0.00 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 2gdt s TYR 57 Cb -0.01 -4.55 -0.01 0.00 -0.40 0.00 0.00 41.96 37.00 2gdt s TYR 57 CO -0.07 -2.09 1.36 0.08 -1.57 0.00 0.00 175.55 173.25 2gdt s VAL 58 N 6.22 4.08 0.47 0.71 1.01 -1.26 -2.51 120.40 129.13 2gdt s VAL 58 Ca 0.42 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2gdt s VAL 58 Cb -0.08 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2gdt s VAL 58 CO 0.13 -0.37 0.37 -0.36 0.00 0.00 0.00 175.10 174.86 2gdt s PHE 59 N 4.35 2.21 -0.09 5.22 0.08 -0.10 -0.41 117.98 129.25 2gdt s PHE 59 Ca 0.59 -0.66 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 2gdt s PHE 59 Cb -0.19 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.25 2gdt s PHE 59 CO 0.23 -0.24 -0.05 0.96 -0.10 0.00 0.00 175.22 176.02 2gdt s ILE 60 N -2.62 0.75 0.05 0.64 -4.36 -0.94 -2.55 121.20 112.16 2gdt s ILE 60 Ca 0.42 -0.13 0.09 0.00 -0.26 0.00 0.00 60.65 60.76 2gdt s ILE 60 Cb -0.02 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 2gdt s ILE 60 CO 0.25 0.31 -0.24 -1.59 0.24 0.00 0.00 174.94 173.91 2gdt s LYS 61 N 1.68 1.84 -0.74 0.37 -2.85 -1.21 -0.50 119.74 118.32 2gdt s LYS 61 Ca 0.02 -1.10 -0.20 0.00 -1.00 0.00 0.00 55.97 53.69 2gdt s LYS 61 Cb -0.13 -2.02 -0.16 0.00 -2.06 0.00 0.00 37.83 33.46 2gdt s LYS 61 CO -0.06 0.51 1.92 2.89 0.10 0.00 0.00 175.35 180.71 2gdt n ARG 62 N 1.66 1.47 0.00 1.78 1.85 -0.96 -1.63 116.66 120.83 2gdt n ARG 62 Ca -0.17 -1.74 0.00 0.00 -1.00 0.00 0.00 57.85 54.94 2gdt n ARG 62 Cb 0.52 -2.83 0.00 0.00 -1.05 0.00 0.00 32.46 29.10 2gdt n ARG 62 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2gdt n SER 63 N 7.17 0.00 0.00 2.89 3.41 -1.22 -4.77 113.62 121.10 2gdt n SER 63 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2gdt n SER 63 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2gdt n SER 63 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gdt n ASP 64 N 1.38 0.00 -4.57 4.04 -0.08 -1.26 -4.88 116.55 111.18 2gdt n ASP 64 Ca 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.88 2gdt n ASP 64 Cb 0.00 0.33 -0.02 0.00 2.34 0.00 0.00 41.12 43.76 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gdt s ALA 65 N -1.83 2.79 0.10 -1.67 0.00 -1.26 -4.91 121.76 114.97 2gdt s ALA 65 Ca 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 51.96 49.49 2gdt s ALA 65 Cb 0.00 -4.59 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 2gdt s ALA 65 CO 0.00 -3.70 0.10 -0.48 0.00 0.00 0.00 175.76 171.67 2gdt s LEU 66 N 5.51 1.79 0.22 0.00 0.05 -1.26 -5.16 118.68 119.83 2gdt s LEU 66 Ca 0.52 -0.96 -0.21 0.00 0.05 0.00 0.00 54.13 53.53 2gdt s LEU 66 Cb 0.01 0.58 0.07 0.00 -2.05 0.00 0.00 46.19 44.80 2gdt s LEU 66 CO -0.01 -0.72 0.99 -0.94 -0.55 0.00 0.00 176.35 175.12 2gdt s SER 67 N -2.95 0.00 0.00 1.48 1.04 -1.26 -5.05 113.70 106.95 2gdt s SER 67 Ca 0.13 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2gdt s SER 67 Cb 0.06 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2gdt s SER 67 CO -0.05 -1.13 0.00 1.07 0.98 0.00 0.00 173.24 174.11 2gdt n THR 68 N -0.66 0.00 0.14 2.02 5.66 -1.26 -1.19 114.28 118.98 2gdt n THR 68 Ca -0.04 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.01 2gdt n THR 68 Cb 0.60 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.87 2gdt n THR 68 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2gdt h ASN 69 N 0.00 0.21 -5.89 1.09 4.21 -2.04 -3.47 115.58 109.70 2gdt h ASN 69 Ca 0.00 -0.02 -0.17 0.00 1.21 0.00 0.00 56.30 57.32 2gdt h ASN 69 Cb 0.00 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2gdt h ASN 69 CO 0.00 0.22 -0.37 1.57 -1.29 0.00 0.00 177.43 177.56 2gdt n HIS 70 N -4.44 -0.64 -1.90 1.19 -0.00 -0.34 -4.72 115.22 104.37 2gdt n HIS 70 Ca -0.00 0.23 -0.31 0.00 -0.00 0.00 0.00 57.72 57.64 2gdt n HIS 70 Cb 0.13 -0.92 -0.04 0.00 -0.00 0.00 0.00 29.99 29.16 2gdt n HIS 70 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2gdt s GLY 71 N -2.71 -0.05 0.34 1.57 0.00 -1.26 -4.71 107.32 100.50 2gdt s GLY 71 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2gdt s GLY 71 CO 0.31 3.67 0.00 1.42 0.00 0.00 0.00 173.10 178.49 2gdt n HIS 72 N 14.42 -3.10 -2.43 1.90 8.25 -1.26 -4.06 115.22 128.93 2gdt n HIS 72 Ca 0.33 1.58 -0.38 0.00 -0.26 0.00 0.00 57.72 58.99 2gdt n HIS 72 Cb 0.50 -2.82 -0.03 0.00 1.12 0.00 0.00 29.99 28.76 2gdt n HIS 72 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2gdt s LYS 73 N -2.53 3.38 0.63 -0.41 1.02 -1.26 -4.99 119.74 115.57 2gdt s LYS 73 Ca 0.00 -1.07 -0.17 0.00 0.02 0.00 0.00 55.97 54.75 2gdt s LYS 73 Cb 0.00 -5.32 -0.02 0.00 -0.52 0.00 0.00 37.83 31.98 2gdt s LYS 73 CO 0.00 -2.55 1.15 0.08 -0.92 0.00 0.00 175.35 173.11 2gdt s VAL 74 N 6.24 2.98 0.20 3.17 1.01 -1.26 -2.87 120.40 129.87 2gdt s VAL 74 Ca 0.53 0.52 0.02 0.00 0.00 0.00 0.00 61.98 63.05 2gdt s VAL 74 Cb -0.01 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2gdt s VAL 74 CO -0.04 -0.22 0.07 1.33 0.00 0.00 0.00 175.10 176.24 2gdt n VAL 75 N -2.04 0.00 -4.14 2.92 0.24 -0.54 -3.40 118.33 111.38 2gdt n VAL 75 Ca 0.12 -1.16 -0.11 0.00 -2.04 0.00 0.00 64.34 61.15 2gdt n VAL 75 Cb 0.51 0.42 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 2gdt n VAL 75 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2gdt s GLU 76 N -2.75 1.15 0.02 7.34 -1.05 -0.65 -4.16 118.70 118.60 2gdt s GLU 76 Ca 0.10 -1.48 -0.11 0.00 -0.15 0.00 0.00 54.97 53.33 2gdt s GLU 76 Cb 0.01 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2gdt s GLU 76 CO 0.07 -0.38 0.36 -0.51 0.95 0.00 0.00 175.26 175.75 2gdt s LEU 77 N -3.09 4.41 0.12 1.83 1.43 -1.26 -3.34 118.68 118.78 2gdt s LEU 77 Ca 0.30 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 54.02 2gdt s LEU 77 Cb 0.06 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.63 2gdt s LEU 77 CO 0.07 0.27 0.47 -0.69 0.23 0.00 0.00 176.35 176.70 2gdt s VAL 78 N -1.22 0.05 -0.11 -1.59 1.01 -1.06 -5.03 120.40 112.45 2gdt s VAL 78 Ca 0.27 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2gdt s VAL 78 Cb -0.15 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.18 2gdt s VAL 78 CO 0.15 -0.20 0.27 0.00 0.00 0.00 0.00 175.10 175.31 2gdt s ALA 79 N -3.59 -0.65 -0.34 5.51 0.00 -1.26 -0.93 121.76 120.50 2gdt s ALA 79 Ca 0.01 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 52.94 2gdt s ALA 79 Cb 0.01 -0.60 0.13 0.00 0.00 0.00 0.00 23.12 22.66 2gdt s ALA 79 CO -0.11 -0.18 0.23 -1.21 0.00 0.00 0.00 175.76 174.49 2gdt s GLU 80 N 0.87 0.48 0.32 0.00 8.01 -1.04 -4.99 118.70 122.34 2gdt s GLU 80 Ca -0.06 -1.01 0.00 0.00 0.01 0.00 0.00 54.97 53.91 2gdt s GLU 80 Cb -0.07 -1.13 0.53 0.00 -4.31 0.00 0.00 34.13 29.16 2gdt s GLU 80 CO -0.06 -1.16 1.97 0.00 0.01 0.00 0.00 175.26 176.02 2gdt h MET 81 N 7.37 0.98 -0.63 1.61 -0.00 -1.85 0.31 114.93 122.73 2gdt h MET 81 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2gdt h MET 81 Cb 1.00 -0.22 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2gdt h MET 81 CO 0.29 0.65 0.00 -3.47 -0.00 0.00 0.00 176.91 174.37 2gdt n ASP 82 N -4.44 3.86 -2.98 -0.10 2.03 -1.26 -4.52 116.55 109.14 2gdt n ASP 82 Ca 0.09 -2.30 -0.19 0.00 0.52 0.00 0.00 54.79 52.91 2gdt n ASP 82 Cb 0.08 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gdt n GLY 83 N 1.08 -0.50 0.18 0.27 0.00 0.10 -4.86 105.19 101.46 2gdt n GLY 83 Ca 0.21 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 2gdt n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdt n ILE 84 N -3.87 -0.29 -4.08 -0.61 5.41 -1.26 -4.42 119.36 110.23 2gdt n ILE 84 Ca -0.08 1.28 -0.05 0.00 1.00 0.00 0.00 62.75 64.90 2gdt n ILE 84 Cb 0.58 -1.61 -0.01 0.00 -0.71 0.00 0.00 39.64 37.89 2gdt n ILE 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gdt n GLN 85 N -4.13 0.58 0.00 0.38 6.02 -1.26 -4.99 117.38 113.99 2gdt n GLN 85 Ca 0.01 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 2gdt n GLN 85 Cb 0.11 0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.81 2gdt n GLN 85 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2gdt n TYR 86 N -0.16 0.00 -0.03 1.08 4.01 -1.26 -4.56 117.16 116.23 2gdt n TYR 86 Ca -0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2gdt n TYR 86 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.24 -4.09 2.72 0.00 -1.94 -0.78 103.07 97.74 2gdt h GLY 87 Ca 0.00 0.70 -0.19 0.00 0.00 0.00 0.00 47.33 47.84 2gdt h GLY 87 CO 0.00 -0.30 -0.22 -2.13 0.00 0.00 0.00 176.54 173.89 2gdt n ARG 88 N -4.64 1.94 -3.78 4.80 3.00 -1.26 -4.80 116.66 111.92 2gdt n ARG 88 Ca -0.04 -0.98 -0.11 0.00 -0.00 0.00 0.00 57.85 56.72 2gdt n ARG 88 Cb 0.27 -2.00 -0.07 0.00 0.00 0.00 0.00 32.46 30.66 2gdt n ARG 88 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2gdt s SER 89 N 2.06 -0.07 0.04 6.15 0.01 -0.30 -5.08 113.70 116.52 2gdt s SER 89 Ca 0.63 -0.30 0.24 0.00 1.31 0.00 0.00 55.95 57.83 2gdt s SER 89 Cb 0.30 0.35 0.28 0.00 0.21 0.00 0.00 66.02 67.16 2gdt s SER 89 CO -0.00 -0.64 1.24 0.61 0.41 0.00 0.00 173.24 174.86 2gdt n GLY 90 N 0.44 -1.25 0.36 3.44 0.00 -1.26 -3.15 105.19 103.77 2gdt n GLY 90 Ca -0.18 -0.36 0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 0.23 -3.59 -0.61 2.10 -1.97 -3.43 117.51 110.24 2gdt h ILE 91 Ca 0.00 0.00 -0.64 0.00 1.08 0.00 0.00 64.86 65.30 2gdt h ILE 91 Cb 0.62 0.69 -0.20 0.00 -1.09 0.00 0.00 36.82 36.84 2gdt h ILE 91 CO 0.00 0.00 -0.60 -0.89 -1.08 0.00 0.00 178.15 175.58 2gdt s THR 92 N -4.40 4.51 -0.01 2.19 2.01 -1.19 -2.26 115.64 116.50 2gdt s THR 92 Ca -0.04 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 61.94 2gdt s THR 92 Cb 0.13 -3.10 -0.23 0.00 0.01 0.00 0.00 72.50 69.31 2gdt s THR 92 CO 0.43 0.36 0.80 -0.07 -0.69 0.00 0.00 174.62 175.45 2gdt h LEU 93 N 7.87 0.06 0.00 4.42 3.38 -1.07 -3.47 115.31 126.50 2gdt h LEU 93 Ca -0.37 -0.10 0.15 0.00 0.09 0.00 0.00 57.88 57.65 2gdt h LEU 93 Cb 1.18 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2gdt h LEU 93 CO 0.60 1.08 0.40 0.61 0.09 0.00 0.00 178.44 181.23 2gdt n GLY 94 N 1.54 0.57 3.98 0.83 0.00 -1.25 -4.45 105.19 106.41 2gdt n GLY 94 Ca -0.14 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.15 4.13 0.06 1.61 1.01 -0.12 -2.22 120.40 122.72 2gdt s VAL 95 Ca 0.14 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.29 2gdt s VAL 95 Cb -0.01 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2gdt s VAL 95 CO 0.00 -0.19 -0.25 -0.76 0.00 0.00 0.00 175.10 173.90 2gdt s LEU 96 N -4.22 2.19 0.08 3.92 1.43 0.45 -0.39 118.68 122.13 2gdt s LEU 96 Ca 0.45 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2gdt s LEU 96 Cb -0.10 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.91 2gdt s LEU 96 CO 0.32 0.23 0.21 0.68 0.23 0.00 0.00 176.35 178.02 2gdt s VAL 97 N -0.84 0.13 -0.09 -1.59 -7.23 -0.93 -4.49 120.40 105.35 2gdt s VAL 97 Ca 0.11 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2gdt s VAL 97 Cb -0.10 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2gdt s VAL 97 CO 0.02 -0.58 1.41 -2.16 -0.31 0.00 0.00 175.10 173.48 2gdt s PRO 98 N -3.50 4.23 0.03 4.82 0.05 -1.26 -0.41 135.00 138.96 2gdt s PRO 98 Ca 0.02 1.89 -0.30 0.00 0.05 0.00 0.00 61.00 62.66 2gdt s PRO 98 Cb 0.03 -3.79 -0.05 0.00 0.05 0.00 0.00 34.50 30.75 2gdt s PRO 98 CO -0.09 -0.71 1.19 -1.58 0.05 0.00 0.00 177.00 175.86 2gdt s HIS 99 N 3.38 3.39 -0.27 0.56 2.46 -0.11 -4.74 115.29 119.96 2gdt s HIS 99 Ca 0.63 1.30 0.19 0.00 0.47 0.00 0.00 55.06 57.64 2gdt s HIS 99 Cb -0.27 -3.40 0.50 0.00 -0.13 0.00 0.00 32.58 29.27 2gdt s HIS 99 CO 0.22 -1.22 1.13 1.33 -2.47 0.00 0.00 174.74 173.73 2gdt n VAL 100 N 4.08 1.58 -1.78 0.89 0.24 -1.26 -4.56 118.33 117.52 2gdt n VAL 100 Ca 0.09 -3.24 -0.09 0.00 -2.04 0.00 0.00 64.34 59.06 2gdt n VAL 100 Cb 0.47 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.50 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gdt n GLY 101 N -0.62 0.47 0.00 7.63 0.00 -1.26 -4.89 105.19 106.51 2gdt n GLY 101 Ca 0.16 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.69 2gdt n GLY 101 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gdt n GLU 102 N -2.26 0.36 -2.18 1.61 4.07 -1.26 -4.89 120.64 116.09 2gdt n GLU 102 Ca -0.10 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.98 2gdt n GLU 102 Cb 0.46 -1.43 -0.02 0.00 -0.06 0.00 0.00 31.44 30.39 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2gdt n THR 103 N -0.93 -8.57 -0.97 6.31 -1.04 -1.26 -4.90 114.28 102.91 2gdt n THR 103 Ca 0.07 1.45 -0.29 0.00 -2.04 0.00 0.00 64.05 63.25 2gdt n THR 103 Cb 0.03 -5.50 0.21 0.00 -1.82 0.00 0.00 70.33 63.25 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 -0.87 -0.24 0.00 -2.82 0.04 -1.26 -4.72 135.00 125.12 2gdt s PRO 104 Ca -0.11 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2gdt s PRO 104 Cb 0.01 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.89 2gdt s PRO 104 CO 0.47 -3.19 0.00 0.44 0.04 0.00 0.00 177.00 174.77 2gdt n ILE 105 N -4.49 0.00 -3.83 0.56 -0.00 -0.76 -5.01 119.36 105.83 2gdt n ILE 105 Ca 0.05 -0.05 -0.10 0.00 -0.00 0.00 0.00 62.75 62.64 2gdt n ILE 105 Cb 0.57 0.47 0.01 0.00 -0.00 0.00 0.00 39.64 40.69 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 -1.10 -1.23 -2.50 -1.28 0.00 -1.24 -5.03 120.51 108.13 2gdt n ALA 106 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.00 2gdt n ALA 106 Cb 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.79 1.13 0.33 0.00 1.51 -1.26 -0.67 117.35 115.61 2gdt s TYR 107 Ca 0.19 -0.62 0.07 0.00 -1.01 0.00 0.00 57.07 55.69 2gdt s TYR 107 Cb -0.03 -0.61 -0.07 0.00 -0.11 0.00 0.00 41.96 41.14 2gdt s TYR 107 CO 0.14 0.03 -0.02 1.03 -1.11 0.00 0.00 175.55 175.62 2gdt s ARG 108 N -2.70 1.72 0.01 -0.62 1.81 0.10 -4.86 118.95 114.41 2gdt s ARG 108 Ca 0.06 -1.92 0.00 0.00 -1.72 0.00 0.00 55.73 52.15 2gdt s ARG 108 Cb -0.04 -1.30 -0.01 0.00 -0.45 0.00 0.00 34.95 33.16 2gdt s ARG 108 CO 0.01 -0.02 -0.02 1.21 -0.68 0.00 0.00 175.30 175.80 2gdt s ASN 109 N -3.54 0.20 0.23 0.23 2.47 -1.26 -0.89 114.94 112.38 2gdt s ASN 109 Ca 0.33 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.38 2gdt s ASN 109 Cb 0.06 0.03 -0.04 0.00 -1.45 0.00 0.00 41.25 39.85 2gdt s ASN 109 CO 0.15 -0.12 0.13 0.68 -3.72 0.00 0.00 177.10 174.22 2gdt s VAL 110 N -0.65 0.18 0.23 -5.21 -7.23 -0.04 -4.98 120.40 102.70 2gdt s VAL 110 Ca -0.06 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 2gdt s VAL 110 Cb -0.05 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2gdt s VAL 110 CO -0.00 0.00 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.02 2gdt s LEU 111 N -3.23 3.22 0.04 1.32 2.01 -1.14 -0.53 118.68 120.37 2gdt s LEU 111 Ca 0.39 -0.56 0.09 0.00 0.01 0.00 0.00 54.13 54.05 2gdt s LEU 111 Cb 0.07 -1.79 -0.03 0.00 0.01 0.00 0.00 46.19 44.45 2gdt s LEU 111 CO 0.14 0.03 -0.25 -0.22 1.01 0.00 0.00 176.35 177.06 2gdt s LEU 112 N -3.42 2.22 0.04 1.79 0.20 0.12 -1.46 118.68 118.17 2gdt s LEU 112 Ca 0.30 -0.55 -0.30 0.00 0.69 0.00 0.00 54.13 54.26 2gdt s LEU 112 Cb -0.07 -1.32 -0.07 0.00 -0.43 0.00 0.00 46.19 44.29 2gdt s LEU 112 CO 0.19 0.27 1.57 -0.13 -0.29 0.00 0.00 176.35 177.95 2gdt s ARG 113 N -1.20 4.23 -0.70 1.98 0.52 -1.26 -2.06 118.95 120.46 2gdt s ARG 113 Ca 0.12 2.20 -0.17 0.00 -0.52 0.00 0.00 55.73 57.35 2gdt s ARG 113 Cb -0.10 -3.61 0.14 0.00 0.52 0.00 0.00 34.95 31.89 2gdt s ARG 113 CO 0.02 -0.69 0.77 0.15 0.02 0.00 0.00 175.30 175.57 2gdt s LYS 114 N 2.65 3.27 0.14 3.54 1.02 -1.26 -4.94 119.74 124.16 2gdt s LYS 114 Ca 0.70 -1.72 -0.23 0.00 0.02 0.00 0.00 55.97 54.74 2gdt s LYS 114 Cb -0.36 -4.42 0.01 0.00 -0.52 0.00 0.00 37.83 32.53 2gdt s LYS 114 CO 0.30 -1.50 1.64 -2.95 -0.92 0.00 0.00 175.35 171.92 2gdt h ASN 115 N 8.75 -0.73 0.00 2.83 -1.07 -2.01 -3.45 115.58 119.90 2gdt h ASN 115 Ca -0.12 0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2gdt h ASN 115 Cb 1.07 0.33 0.00 0.00 -2.07 0.00 0.00 38.32 37.65 2gdt h ASN 115 CO 1.01 -0.27 0.00 0.61 0.07 0.00 0.00 177.43 178.84