#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 -3.51 -3.61 1.61 -0.00 -1.26 -4.95 115.22 103.49 2gdt n HIS 2 Ca 0.00 1.80 -0.20 0.00 -0.00 0.00 0.00 57.72 59.31 2gdt n HIS 2 Cb 0.00 -3.19 -0.16 0.00 -0.00 0.00 0.00 29.99 26.64 2gdt n HIS 2 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2gdt s VAL 3 N -2.73 -0.20 0.46 1.59 1.01 0.41 -4.94 120.40 116.00 2gdt s VAL 3 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2gdt s VAL 3 Cb 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 2gdt s VAL 3 CO 0.00 -0.06 1.26 -1.58 0.00 0.00 0.00 175.10 174.72 2gdt s GLN 4 N 2.23 3.70 0.20 2.72 0.74 -1.26 0.02 119.66 128.01 2gdt s GLN 4 Ca 0.04 2.02 0.02 0.00 0.05 0.00 0.00 55.36 57.49 2gdt s GLN 4 Cb -0.14 -2.51 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 2gdt s GLN 4 CO -0.08 -0.67 0.01 -0.51 -0.55 0.00 0.00 175.29 173.49 2gdt s LEU 5 N -2.90 2.10 -0.01 3.68 1.43 0.31 -4.85 118.68 118.44 2gdt s LEU 5 Ca 0.63 -1.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2gdt s LEU 5 Cb -0.35 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 45.75 2gdt s LEU 5 CO 0.43 -0.56 -0.02 -0.44 0.23 0.00 0.00 176.35 175.99 2gdt s SER 6 N -3.23 0.27 -0.05 2.29 0.01 -1.26 -1.75 113.70 109.98 2gdt s SER 6 Ca 0.27 -0.04 0.04 0.00 1.31 0.00 0.00 55.95 57.53 2gdt s SER 6 Cb 0.06 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2gdt s SER 6 CO 0.06 0.01 -0.16 -0.76 0.41 0.00 0.00 173.24 172.80 2gdt s LEU 7 N 0.12 1.87 0.25 2.44 1.43 0.02 -4.97 118.68 119.84 2gdt s LEU 7 Ca -0.01 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 2gdt s LEU 7 Cb -0.03 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.16 2gdt s LEU 7 CO -0.00 0.13 1.39 -2.16 0.23 0.00 0.00 176.35 175.94 2gdt s PRO 8 N 0.18 4.30 -0.25 1.29 0.04 -1.26 -0.40 135.00 138.89 2gdt s PRO 8 Ca -0.06 2.24 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 2gdt s PRO 8 Cb -0.12 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2gdt s PRO 8 CO 0.03 -0.35 0.60 0.08 0.04 0.00 0.00 177.00 177.39 2gdt s VAL 9 N -0.13 5.01 0.04 -0.36 1.01 0.31 -0.63 120.40 125.65 2gdt s VAL 9 Ca 0.57 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.71 2gdt s VAL 9 Cb -0.40 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2gdt s VAL 9 CO 0.43 0.05 -0.24 -0.76 0.00 0.00 0.00 175.10 174.58 2gdt s LEU 10 N 2.42 2.16 0.32 3.92 1.43 -0.55 -1.75 118.68 126.63 2gdt s LEU 10 Ca 0.25 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 2gdt s LEU 10 Cb -0.16 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.83 2gdt s LEU 10 CO 0.09 0.22 1.03 -1.10 0.23 0.00 0.00 176.35 176.81 2gdt s GLN 11 N -1.16 4.52 0.50 1.70 -0.21 -1.26 -4.46 119.66 119.28 2gdt s GLN 11 Ca 0.10 1.56 0.17 0.00 0.02 0.00 0.00 55.36 57.21 2gdt s GLN 11 Cb -0.09 -2.92 1.23 0.00 1.00 0.00 0.00 33.01 32.22 2gdt s GLN 11 CO 0.02 0.17 2.09 -0.24 -2.12 0.00 0.00 175.29 175.20 2gdt h VAL 12 N 2.72 0.94 -0.30 1.09 3.04 -1.95 0.22 116.25 122.01 2gdt h VAL 12 Ca -0.47 -0.04 -0.14 0.00 -1.01 0.00 0.00 66.70 65.04 2gdt h VAL 12 Cb 1.21 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 2gdt h VAL 12 CO 0.65 0.02 -0.39 0.08 -1.01 0.00 0.00 177.57 176.92 2gdt h ARG 13 N 0.11 0.72 0.18 4.17 0.11 -2.00 -3.26 114.38 114.41 2gdt h ARG 13 Ca 0.10 -0.37 -0.31 0.00 0.10 0.00 0.00 59.98 59.50 2gdt h ARG 13 Cb 0.28 0.01 0.02 0.00 1.11 0.00 0.00 29.97 31.39 2gdt h ARG 13 CO -0.01 0.99 -1.42 -0.44 0.10 0.00 0.00 179.97 179.18 2gdt h ASP 14 N 0.59 0.60 0.00 0.08 3.32 -1.56 -3.37 116.42 116.08 2gdt h ASP 14 Ca 0.05 -0.68 -0.38 0.00 0.02 0.00 0.00 57.03 56.04 2gdt h ASP 14 Cb 0.94 -0.19 0.07 0.00 0.22 0.00 0.00 39.33 40.36 2gdt h ASP 14 CO 0.09 1.54 1.56 0.52 -1.72 0.00 0.00 179.24 181.22 2gdt n VAL 15 N -3.59 0.61 -0.32 -1.35 0.31 -0.06 -4.78 118.33 109.15 2gdt n VAL 15 Ca -0.14 -0.44 -0.04 0.00 -0.01 0.00 0.00 64.34 63.71 2gdt n VAL 15 Cb 1.06 -1.90 -0.01 0.00 -0.91 0.00 0.00 33.84 32.08 2gdt n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdt n LEU 16 N 6.81 -0.64 -4.44 7.52 4.77 -1.26 -4.16 117.00 125.60 2gdt n LEU 16 Ca 0.31 1.41 -0.44 0.00 -0.03 0.00 0.00 56.01 57.27 2gdt n LEU 16 Cb 0.24 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2gdt n LEU 16 CO 0.88 -1.22 0.30 0.54 -1.33 0.00 0.00 177.39 176.55 2gdt s VAL 17 N -5.63 4.92 -0.48 4.08 0.11 -1.26 -4.93 120.40 117.21 2gdt s VAL 17 Ca -0.11 -0.59 0.16 0.00 -2.93 0.00 0.00 61.98 58.51 2gdt s VAL 17 Cb 0.14 -4.28 0.67 0.00 -1.53 0.00 0.00 36.38 31.38 2gdt s VAL 17 CO 0.55 -0.79 1.59 0.54 -3.33 0.00 0.00 175.10 173.66 2gdt n ARG 18 N 6.04 3.87 -3.77 1.54 1.74 -1.26 -4.62 116.66 120.21 2gdt n ARG 18 Ca -0.07 -2.92 -0.13 0.00 -0.77 0.00 0.00 57.85 53.95 2gdt n ARG 18 Cb 0.45 -1.98 -0.09 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 -1.20 -0.14 0.16 -0.13 0.00 -1.26 -4.02 107.32 100.73 2gdt s GLY 19 Ca 0.48 0.36 0.25 0.00 0.00 0.00 0.00 44.72 45.80 2gdt s GLY 19 CO 0.16 0.17 1.46 0.74 0.00 0.00 0.00 173.10 175.62 2gdt h PHE 20 N 4.14 0.00 -1.75 1.90 0.04 -1.87 -3.44 116.94 115.96 2gdt h PHE 20 Ca -0.29 0.00 0.40 0.00 2.80 0.00 0.00 57.97 60.88 2gdt h PHE 20 Cb 1.18 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.23 2gdt h PHE 20 CO 0.52 0.00 1.00 0.20 -0.60 0.00 0.00 178.31 179.42 2gdt s GLY 21 N -3.67 -0.29 0.00 -1.45 0.00 -1.26 -4.68 107.32 95.97 2gdt s GLY 21 Ca 0.07 0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.38 2gdt s GLY 21 CO 0.68 4.96 1.04 1.34 0.00 0.00 0.00 173.10 181.13 2gdt n ASP 22 N -0.86 1.59 -4.35 1.64 2.03 -1.26 -4.61 116.55 110.73 2gdt n ASP 22 Ca 0.02 -1.28 -0.18 0.00 0.52 0.00 0.00 54.79 53.87 2gdt n ASP 22 Cb 0.60 0.65 -0.10 0.00 -0.72 0.00 0.00 41.12 41.55 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 -2.68 2.07 0.09 1.67 0.01 -1.26 -4.72 113.70 108.88 2gdt s SER 23 Ca 0.15 -1.19 -0.30 0.00 1.31 0.00 0.00 55.95 55.91 2gdt s SER 23 Cb 0.17 -0.04 -0.14 0.00 0.21 0.00 0.00 66.02 66.23 2gdt s SER 23 CO 0.68 -0.45 1.63 0.58 0.41 0.00 0.00 173.24 176.09 2gdt h VAL 24 N 2.45 0.36 0.00 3.43 2.07 -1.90 -1.73 116.25 120.93 2gdt h VAL 24 Ca -0.39 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2gdt h VAL 24 Cb 1.22 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2gdt h VAL 24 CO 0.65 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 177.57 2gdt h GLU 25 N -0.69 0.00 0.75 1.57 5.08 -1.98 0.46 114.58 119.77 2gdt h GLU 25 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2gdt h GLU 25 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2gdt h GLU 25 CO -0.02 0.34 -0.36 0.93 -1.00 0.00 0.00 179.01 178.90 2gdt h GLU 26 N 0.00 -0.97 -0.81 2.33 4.39 -1.92 -1.85 114.58 115.75 2gdt h GLU 26 Ca -0.00 0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.83 2gdt h GLU 26 Cb 0.98 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 2gdt h GLU 26 CO 0.04 -0.63 0.49 0.00 -1.16 0.00 0.00 179.01 177.75 2gdt h ALA 27 N -1.11 1.12 -0.18 3.43 0.00 -1.05 -0.61 119.26 120.87 2gdt h ALA 27 Ca -0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2gdt h ALA 27 Cb 0.79 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2gdt h ALA 27 CO 0.17 0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.85 2gdt h LEU 28 N 0.87 -0.10 -0.06 0.00 6.46 -0.90 0.48 115.31 122.06 2gdt h LEU 28 Ca 0.36 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 2gdt h LEU 28 Cb 0.22 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2gdt h LEU 28 CO -0.19 -0.02 0.03 0.28 -0.62 0.00 0.00 178.44 177.91 2gdt h SER 29 N 0.04 0.09 -0.47 1.25 0.02 -0.68 -2.74 113.55 111.05 2gdt h SER 29 Ca 0.08 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2gdt h SER 29 Cb 0.11 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2gdt h SER 29 CO -0.15 0.19 0.25 -0.33 -1.14 0.00 0.00 176.83 175.65 2gdt h GLU 30 N -0.02 0.68 -0.36 3.45 4.39 -1.04 -2.26 114.58 119.42 2gdt h GLU 30 Ca 0.02 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2gdt h GLU 30 Cb 0.13 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2gdt h GLU 30 CO -0.00 0.52 0.12 0.00 -1.16 0.00 0.00 179.01 178.48 2gdt h ALA 31 N 1.59 0.47 -0.98 3.43 0.00 -0.72 0.21 119.26 123.26 2gdt h ALA 31 Ca 0.18 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.06 2gdt h ALA 31 Cb 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 2gdt h ALA 31 CO -0.03 0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.92 2gdt h ARG 32 N 0.43 0.91 -0.16 0.00 3.08 -1.15 0.33 114.38 117.82 2gdt h ARG 32 Ca 0.12 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 2gdt h ARG 32 Cb 0.24 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 2gdt h ARG 32 CO -0.01 0.60 -0.04 0.93 -1.07 0.00 0.00 179.97 180.38 2gdt h GLU 33 N 0.94 0.30 -0.03 0.04 5.08 -0.73 -0.70 114.58 119.48 2gdt h GLU 33 Ca 0.49 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.63 2gdt h GLU 33 Cb 0.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2gdt h GLU 33 CO -0.28 0.58 -0.46 0.45 -1.00 0.00 0.00 179.01 178.30 2gdt h HIS 34 N 0.00 0.09 -0.17 4.33 3.86 -0.26 0.09 115.15 123.08 2gdt h HIS 34 Ca 0.04 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 2gdt h HIS 34 Cb 0.47 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2gdt h HIS 34 CO 0.05 0.53 -0.25 -0.07 0.86 0.00 0.00 177.93 179.04 2gdt h LEU 35 N 0.06 0.31 -0.00 2.43 3.38 -0.89 0.20 115.31 120.80 2gdt h LEU 35 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2gdt h LEU 35 Cb 0.84 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2gdt h LEU 35 CO 0.06 0.57 -0.00 0.50 0.09 0.00 0.00 178.44 179.66 2gdt h LYS 36 N 0.28 0.00 0.25 1.13 1.63 0.48 -3.20 116.57 117.14 2gdt h LYS 36 Ca 0.04 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2gdt h LYS 36 Cb 0.60 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2gdt h LYS 36 CO 0.04 0.32 -0.12 -0.91 -3.45 0.00 0.00 179.45 175.33 2gdt h ASN 37 N -0.31 -0.28 0.00 4.20 2.35 -1.02 -3.48 115.58 117.03 2gdt h ASN 37 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2gdt h ASN 37 Cb 0.32 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2gdt h ASN 37 CO 0.00 -0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.24 2gdt n GLY 38 N -1.07 0.98 2.08 2.83 0.00 0.54 -5.03 105.19 105.51 2gdt n GLY 38 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.47 2.92 -4.66 2.61 -2.24 -0.30 -4.82 114.28 107.32 2gdt n THR 39 Ca 0.00 -1.92 -0.22 0.00 -2.27 0.00 0.00 64.05 59.63 2gdt n THR 39 Cb 0.00 -1.63 -0.15 0.00 -2.10 0.00 0.00 70.33 66.45 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 -0.36 2.68 -0.11 0.00 0.00 0.48 -4.32 107.32 105.70 2gdt s GLY 41 Ca 0.05 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.70 2gdt s GLY 41 CO -0.01 -1.90 -0.23 -2.27 0.00 0.00 0.00 173.10 168.70 2gdt s LEU 42 N -3.66 2.16 -0.21 0.66 2.96 0.20 -1.97 118.68 118.82 2gdt s LEU 42 Ca 0.21 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2gdt s LEU 42 Cb 0.02 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 2gdt s LEU 42 CO 0.13 0.15 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.54 2gdt s VAL 43 N 0.43 3.15 0.67 1.68 1.01 -0.26 -1.48 120.40 125.61 2gdt s VAL 43 Ca -0.16 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 2gdt s VAL 43 Cb -0.17 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2gdt s VAL 43 CO 0.07 0.45 1.11 -1.61 0.00 0.00 0.00 175.10 175.11 2gdt s GLU 44 N 1.37 2.73 -1.31 2.72 2.02 -1.26 -0.78 118.70 124.19 2gdt s GLU 44 Ca 0.05 1.35 -0.18 0.00 0.02 0.00 0.00 54.97 56.21 2gdt s GLU 44 Cb -0.14 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.22 2gdt s GLU 44 CO -0.04 -1.30 1.76 1.28 0.02 0.00 0.00 175.26 176.98 2gdt n LEU 45 N -2.58 5.08 -4.85 1.80 4.77 -1.20 -4.73 117.00 115.30 2gdt n LEU 45 Ca 0.10 -3.96 -0.32 0.00 -0.03 0.00 0.00 56.01 51.81 2gdt n LEU 45 Cb 0.52 -1.74 -0.00 0.00 -2.33 0.00 0.00 43.42 39.87 2gdt n LEU 45 CO 0.49 0.24 0.70 -1.61 -1.33 0.00 0.00 177.39 175.88 2gdt s GLU 46 N 4.05 3.67 0.16 3.23 2.02 -1.26 -4.98 118.70 125.58 2gdt s GLU 46 Ca 0.53 0.89 -0.19 0.00 0.02 0.00 0.00 54.97 56.22 2gdt s GLU 46 Cb 0.04 -2.09 0.08 0.00 0.10 0.00 0.00 34.13 32.26 2gdt s GLU 46 CO 0.07 -0.51 1.65 -0.22 0.02 0.00 0.00 175.26 176.27 2gdt h LYS 47 N 0.22 -0.09 -0.55 1.61 3.64 -1.98 -1.89 116.57 117.52 2gdt h LYS 47 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2gdt h LYS 47 Cb 1.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2gdt h LYS 47 CO 0.61 -0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.14 2gdt n GLY 48 N -1.34 1.60 0.09 5.01 0.00 -1.26 -4.49 105.19 104.81 2gdt n GLY 48 Ca 0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 2gdt n GLY 48 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gdt h VAL 49 N 2.72 1.19 -0.44 1.61 2.07 -1.69 -3.34 116.25 118.37 2gdt h VAL 49 Ca 0.00 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.22 2gdt h VAL 49 Cb 0.88 2.03 -0.08 0.00 -1.52 0.00 0.00 31.29 32.60 2gdt h VAL 49 CO 0.10 0.32 -0.12 -0.07 0.02 0.00 0.00 177.57 177.82 2gdt h LEU 50 N -0.78 -0.44 -1.31 2.57 3.38 -1.79 0.60 115.31 117.54 2gdt h LEU 50 Ca -0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2gdt h LEU 50 Cb 0.60 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2gdt h LEU 50 CO 0.02 -0.16 0.00 -0.65 0.09 0.00 0.00 178.44 177.74 2gdt h PRO 51 N -0.02 0.00 0.00 1.13 0.11 -1.88 -1.68 132.00 129.66 2gdt h PRO 51 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2gdt h PRO 51 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2gdt h PRO 51 CO -0.46 0.00 -0.99 1.96 -0.21 0.00 0.00 178.00 178.30 2gdt h GLN 52 N 0.00 0.00 -7.70 1.05 4.20 -1.01 -3.48 115.11 108.16 2gdt h GLN 52 Ca 0.00 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.25 2gdt h GLN 52 Cb 0.20 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.11 2gdt h GLN 52 CO 0.00 0.00 0.41 -0.51 -0.67 0.00 0.00 178.83 178.06 2gdt s LEU 53 N -5.34 2.56 0.00 1.46 2.01 -0.63 -4.97 118.68 113.77 2gdt s LEU 53 Ca -0.00 0.56 0.00 0.00 0.01 0.00 0.00 54.13 54.70 2gdt s LEU 53 Cb 0.10 -2.84 0.00 0.00 0.01 0.00 0.00 46.19 43.45 2gdt s LEU 53 CO 0.79 -2.31 0.22 -0.62 1.01 0.00 0.00 176.35 175.44 2gdt n GLU 54 N -3.54 0.00 0.12 1.70 -0.58 -1.26 -5.02 120.64 112.07 2gdt n GLU 54 Ca 0.11 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2gdt n GLU 54 Cb 0.60 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 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 -0.67 0.00 -2.57 3.49 -0.06 -1.26 -5.04 117.38 111.27 2gdt n GLN 55 Ca 0.00 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.58 2gdt n GLN 55 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 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 3.72 -0.72 3.69 0.04 -1.26 -4.29 135.00 134.19 2gdt s PRO 56 Ca 0.00 -1.41 -0.27 0.00 0.04 0.00 0.00 61.00 59.36 2gdt s PRO 56 Cb 0.00 -5.41 0.02 0.00 0.04 0.00 0.00 34.50 29.15 2gdt s PRO 56 CO 0.00 -2.22 1.38 0.71 0.04 0.00 0.00 177.00 176.91 2gdt s TYR 57 N 4.71 2.18 -0.72 0.56 2.02 -0.31 -4.78 117.35 121.00 2gdt s TYR 57 Ca 0.48 0.10 -0.26 0.00 -0.37 0.00 0.00 57.07 57.03 2gdt s TYR 57 Cb 0.01 -4.53 -0.03 0.00 -0.40 0.00 0.00 41.96 37.01 2gdt s TYR 57 CO -0.04 -2.11 1.89 0.08 -1.57 0.00 0.00 175.55 173.80 2gdt s VAL 58 N 6.31 3.39 0.72 0.71 1.01 -1.26 -2.99 120.40 128.29 2gdt s VAL 58 Ca 0.41 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 2gdt s VAL 58 Cb -0.09 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2gdt s VAL 58 CO 0.16 -0.93 1.09 -0.36 0.00 0.00 0.00 175.10 175.07 2gdt s PHE 59 N 9.46 3.24 -0.07 5.22 0.08 0.10 -0.55 117.98 135.45 2gdt s PHE 59 Ca 0.68 0.94 0.02 0.00 0.12 0.00 0.00 56.93 58.69 2gdt s PHE 59 Cb -0.10 -3.13 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 2gdt s PHE 59 CO 0.12 -1.27 -0.13 0.96 -0.10 0.00 0.00 175.22 174.80 2gdt s ILE 60 N -3.37 1.24 0.04 0.64 -4.36 -0.96 -0.89 121.20 113.54 2gdt s ILE 60 Ca 0.59 -0.53 0.06 0.00 -0.26 0.00 0.00 60.65 60.51 2gdt s ILE 60 Cb -0.11 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 2gdt s ILE 60 CO 0.50 0.38 -0.16 -1.59 0.24 0.00 0.00 174.94 174.31 2gdt s LYS 61 N 0.73 1.07 -1.00 0.37 -2.85 -1.07 -0.74 119.74 116.25 2gdt s LYS 61 Ca -0.13 -0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 53.81 2gdt s LYS 61 Cb -0.16 -1.11 0.06 0.00 -2.06 0.00 0.00 37.83 34.56 2gdt s LYS 61 CO 0.03 0.28 1.40 -0.98 0.10 0.00 0.00 175.35 176.18 2gdt s ARG 62 N -1.11 3.58 -0.05 1.78 1.70 -1.09 -1.72 118.95 122.05 2gdt s ARG 62 Ca 0.03 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 54.06 2gdt s ARG 62 Cb -0.08 -5.28 0.01 0.00 -0.57 0.00 0.00 34.95 29.03 2gdt s ARG 62 CO 0.01 -2.15 0.07 0.45 -1.08 0.00 0.00 175.30 172.60 2gdt n SER 63 N 8.58 -1.17 -0.15 -2.89 2.88 -1.25 -4.85 113.62 114.77 2gdt n SER 63 Ca 0.31 0.02 -0.05 0.00 -1.33 0.00 0.00 58.87 57.82 2gdt n SER 63 Cb 0.51 -0.31 0.04 0.00 -0.75 0.00 0.00 64.21 63.70 2gdt n SER 63 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2gdt h ASP 64 N 0.92 0.31 -1.99 -3.46 3.58 -1.97 -2.42 116.42 111.39 2gdt h ASP 64 Ca -0.06 0.03 -0.50 0.00 0.42 0.00 0.00 57.03 56.92 2gdt h ASP 64 Cb 0.24 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2gdt h ASP 64 CO 0.02 0.22 1.38 0.00 -2.88 0.00 0.00 179.24 177.99 2gdt s ALA 65 N -6.14 2.15 -0.27 -0.78 0.00 -1.26 -4.94 121.76 110.52 2gdt s ALA 65 Ca -0.13 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.05 2gdt s ALA 65 Cb 0.13 -4.29 -0.05 0.00 0.00 0.00 0.00 23.12 18.91 2gdt s ALA 65 CO 0.73 -3.88 2.25 -0.48 0.00 0.00 0.00 175.76 174.38 2gdt s LEU 66 N 9.32 3.43 0.00 0.00 2.34 -0.91 -4.90 118.68 127.95 2gdt s LEU 66 Ca 0.72 1.72 0.00 0.00 0.06 0.00 0.00 54.13 56.63 2gdt s LEU 66 Cb -0.14 -3.33 0.00 0.00 -0.56 0.00 0.00 46.19 42.17 2gdt s LEU 66 CO 0.22 -2.14 0.00 -1.54 -1.06 0.00 0.00 176.35 171.84 2gdt n SER 67 N 12.48 0.00 -4.71 1.48 3.41 -1.26 -4.97 113.62 120.05 2gdt n SER 67 Ca 0.31 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.59 2gdt n SER 67 Cb 0.47 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.54 2gdt n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gdt s THR 68 N 0.00 2.36 0.10 6.66 2.01 -1.26 -4.96 115.64 120.54 2gdt s THR 68 Ca 0.00 0.14 -0.35 0.00 0.31 0.00 0.00 61.69 61.79 2gdt s THR 68 Cb 0.00 -2.49 -0.16 0.00 0.01 0.00 0.00 72.50 69.87 2gdt s THR 68 CO 0.00 -0.12 1.56 -0.55 -0.69 0.00 0.00 174.62 174.82 2gdt h ASN 69 N -1.01 -1.50 0.00 3.53 7.08 -2.00 -3.47 115.58 118.21 2gdt h ASN 69 Ca -0.45 0.14 0.00 0.00 -3.08 0.00 0.00 56.30 52.91 2gdt h ASN 69 Cb 1.28 0.53 0.00 0.00 -2.08 0.00 0.00 38.32 38.05 2gdt h ASN 69 CO 0.47 -0.61 0.00 1.57 -2.08 0.00 0.00 177.43 176.78 2gdt n HIS 70 N -5.52 -0.41 0.00 4.14 -0.00 -1.26 -5.09 115.22 107.09 2gdt n HIS 70 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 2gdt n HIS 70 Cb 0.44 0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gdt n GLY 71 N 0.32 0.37 3.04 1.57 0.00 -1.26 -4.54 105.19 104.69 2gdt n GLY 71 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.42 -0.79 1.61 3.76 -1.26 -5.07 115.29 114.96 2gdt s HIS 72 Ca 0.00 -0.48 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 2gdt s HIS 72 Cb 0.00 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 2gdt s HIS 72 CO 0.00 -0.24 1.87 0.15 -0.85 0.00 0.00 174.74 175.67 2gdt s LYS 73 N 0.51 2.65 1.02 1.40 1.02 -1.26 -4.97 119.74 120.12 2gdt s LYS 73 Ca -0.11 0.02 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 2gdt s LYS 73 Cb -0.14 -4.78 0.21 0.00 -0.52 0.00 0.00 37.83 32.59 2gdt s LYS 73 CO 0.03 -3.03 1.18 0.14 -0.92 0.00 0.00 175.35 172.75 2gdt s VAL 74 N 9.30 1.87 0.37 3.17 -7.23 -1.26 -4.32 120.40 122.30 2gdt s VAL 74 Ca 0.67 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.90 2gdt s VAL 74 Cb -0.09 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2gdt s VAL 74 CO 0.08 0.00 0.24 0.68 -0.31 0.00 0.00 175.10 175.79 2gdt s VAL 75 N -3.35 0.17 0.21 1.32 -7.23 -0.09 -3.92 120.40 107.52 2gdt s VAL 75 Ca 0.69 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2gdt s VAL 75 Cb -0.10 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2gdt s VAL 75 CO 0.54 0.00 0.31 -1.83 -0.31 0.00 0.00 175.10 173.81 2gdt s GLU 76 N -3.48 1.35 0.26 4.82 -1.05 -0.70 -1.64 118.70 118.26 2gdt s GLU 76 Ca 0.34 -1.39 -0.28 0.00 -0.15 0.00 0.00 54.97 53.49 2gdt s GLU 76 Cb 0.02 0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.99 2gdt s GLU 76 CO 0.24 -0.51 0.92 -0.51 0.95 0.00 0.00 175.26 176.35 2gdt s LEU 77 N -3.07 4.54 0.22 1.83 1.43 -1.26 -2.59 118.68 119.79 2gdt s LEU 77 Ca 0.28 1.88 -0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2gdt s LEU 77 Cb 0.03 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2gdt s LEU 77 CO 0.09 0.09 0.12 -0.69 0.23 0.00 0.00 176.35 176.19 2gdt s VAL 78 N -1.32 0.16 -0.27 -1.59 1.01 -0.07 -4.93 120.40 113.39 2gdt s VAL 78 Ca 0.43 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.19 2gdt s VAL 78 Cb -0.23 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.69 2gdt s VAL 78 CO 0.29 0.00 0.75 0.00 0.00 0.00 0.00 175.10 176.14 2gdt s ALA 79 N -4.03 -1.85 0.15 5.51 0.00 -1.26 -0.72 121.76 119.56 2gdt s ALA 79 Ca 0.39 2.14 -0.02 0.00 0.00 0.00 0.00 51.96 54.46 2gdt s ALA 79 Cb 0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.86 2gdt s ALA 79 CO 0.13 -0.34 0.10 -1.21 0.00 0.00 0.00 175.76 174.44 2gdt s GLU 80 N 0.78 1.00 -0.16 0.00 0.41 -1.16 -4.94 118.70 114.63 2gdt s GLU 80 Ca -0.03 -1.42 -0.14 0.00 -0.41 0.00 0.00 54.97 52.97 2gdt s GLU 80 Cb -0.05 0.27 -0.05 0.00 -1.78 0.00 0.00 34.13 32.52 2gdt s GLU 80 CO -0.07 -0.31 -0.26 -0.12 -0.49 0.00 0.00 175.26 174.02 2gdt n MET 81 N -0.14 0.50 -0.26 1.61 0.00 -1.26 -1.17 117.12 116.40 2gdt n MET 81 Ca -0.05 0.36 0.05 0.00 -0.00 0.00 0.00 57.70 58.06 2gdt n MET 81 Cb 0.64 -1.56 0.16 0.00 0.00 0.00 0.00 33.22 32.47 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 -4.53 2.33 -3.89 6.12 -0.08 -1.26 -4.49 116.55 110.76 2gdt n ASP 82 Ca -0.12 -2.16 -0.39 0.00 -1.51 0.00 0.00 54.79 50.61 2gdt n ASP 82 Cb 0.41 -0.36 0.03 0.00 2.34 0.00 0.00 41.12 43.54 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 0.76 -0.93 2.80 0.27 0.00 -1.26 -4.78 105.19 102.04 2gdt n GLY 83 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.54 0.00 -1.99 -0.61 5.41 -1.26 -4.65 119.36 111.72 2gdt n ILE 84 Ca -0.11 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2gdt n ILE 84 Cb 0.58 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 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 3.12 0.00 0.00 0.38 6.02 -1.26 -4.91 117.38 120.73 2gdt n GLN 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2gdt n GLN 85 Cb 0.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.42 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 4.42 0.00 0.28 1.08 4.01 -1.26 -3.98 117.16 121.71 2gdt n TYR 86 Ca 0.00 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.91 2gdt n TYR 86 Cb 0.00 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 39.85 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 0.00 -2.09 2.72 0.00 -1.91 -0.61 103.07 101.18 2gdt h GLY 87 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2gdt h GLY 87 CO 0.00 0.00 -0.02 -2.13 0.00 0.00 0.00 176.54 174.39 2gdt n ARG 88 N -2.69 2.04 -4.29 4.80 3.00 -1.26 -4.94 116.66 113.32 2gdt n ARG 88 Ca -0.01 -3.12 -0.16 0.00 -0.00 0.00 0.00 57.85 54.56 2gdt n ARG 88 Cb 0.12 -1.84 -0.10 0.00 0.00 0.00 0.00 32.46 30.64 2gdt n ARG 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2gdt s SER 89 N -2.36 1.84 -1.11 6.15 0.15 -0.24 -5.09 113.70 113.05 2gdt s SER 89 Ca 0.45 -1.12 -0.21 0.00 0.70 0.00 0.00 55.95 55.77 2gdt s SER 89 Cb 0.40 -0.00 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2gdt s SER 89 CO 0.02 -0.42 1.53 -0.83 1.20 0.00 0.00 173.24 174.75 2gdt s GLY 90 N -3.24 1.40 0.00 9.45 0.00 -1.26 -3.35 107.32 110.32 2gdt s GLY 90 Ca 0.23 -2.49 0.00 0.00 0.00 0.00 0.00 44.72 42.46 2gdt s GLY 90 CO 0.05 2.68 0.00 4.51 0.00 0.00 0.00 173.10 180.34 2gdt n ILE 91 N 6.69 0.00 -2.93 0.90 3.06 -1.26 -5.11 119.36 120.71 2gdt n ILE 91 Ca 0.38 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 60.23 2gdt n ILE 91 Cb 0.49 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.62 2gdt n ILE 91 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2gdt s THR 92 N -1.27 4.64 -0.24 9.51 2.01 -1.21 -2.66 115.64 126.41 2gdt s THR 92 Ca 0.00 1.73 -0.10 0.00 0.31 0.00 0.00 61.69 63.63 2gdt s THR 92 Cb 0.00 -4.16 -0.17 0.00 0.01 0.00 0.00 72.50 68.18 2gdt s THR 92 CO 0.00 0.38 -0.12 0.18 -0.69 0.00 0.00 174.62 174.37 2gdt n LEU 93 N 2.64 2.33 0.00 4.42 4.77 0.08 -4.94 117.00 126.30 2gdt n LEU 93 Ca -0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2gdt n LEU 93 Cb 0.50 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2gdt n LEU 93 CO 0.48 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2gdt n GLY 94 N 1.67 2.14 3.50 -0.72 0.00 -1.26 -3.24 105.19 107.29 2gdt n GLY 94 Ca -0.45 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.94 2.99 0.17 1.61 1.01 0.04 -2.26 120.40 121.02 2gdt s VAL 95 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 2gdt s VAL 95 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 2gdt s VAL 95 CO 0.00 0.27 0.47 -0.76 0.00 0.00 0.00 175.10 175.07 2gdt s LEU 96 N -1.68 4.23 0.06 3.92 1.43 0.29 -1.11 118.68 125.82 2gdt s LEU 96 Ca 0.17 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 2gdt s LEU 96 Cb -0.11 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2gdt s LEU 96 CO 0.08 0.01 -0.05 0.68 0.23 0.00 0.00 176.35 177.30 2gdt s VAL 97 N -1.69 0.40 -0.03 -1.59 -7.23 -0.83 -4.58 120.40 104.85 2gdt s VAL 97 Ca 0.43 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2gdt s VAL 97 Cb -0.12 -1.20 -0.06 0.00 0.56 0.00 0.00 36.38 35.56 2gdt s VAL 97 CO 0.22 -0.77 1.56 -2.16 -0.31 0.00 0.00 175.10 173.63 2gdt s PRO 98 N -3.09 4.21 -0.31 4.82 0.04 -1.26 -0.38 135.00 139.03 2gdt s PRO 98 Ca 0.02 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2gdt s PRO 98 Cb 0.01 -3.80 -0.00 0.00 0.04 0.00 0.00 34.50 30.75 2gdt s PRO 98 CO -0.05 -0.75 1.45 -1.58 0.04 0.00 0.00 177.00 176.11 2gdt s HIS 99 N 3.34 2.38 -0.27 0.56 2.46 0.09 -4.72 115.29 119.14 2gdt s HIS 99 Ca 0.69 0.71 0.13 0.00 0.47 0.00 0.00 55.06 57.06 2gdt s HIS 99 Cb -0.33 -4.06 0.47 0.00 -0.13 0.00 0.00 32.58 28.53 2gdt s HIS 99 CO 0.28 -2.20 1.17 1.33 -2.47 0.00 0.00 174.74 172.85 2gdt n VAL 100 N 6.61 2.06 -1.70 0.89 0.24 -1.26 -4.65 118.33 120.52 2gdt n VAL 100 Ca 0.17 -3.68 0.00 0.00 -2.04 0.00 0.00 64.34 58.79 2gdt n VAL 100 Cb 0.47 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.67 0.81 0.43 7.63 0.00 -1.26 -4.97 105.19 107.16 2gdt n GLY 101 Ca 0.30 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.79 1.60 -1.66 1.61 -0.58 -1.26 -5.01 120.64 114.54 2gdt n GLU 102 Ca 0.00 -0.87 -0.01 0.00 -0.42 0.00 0.00 57.16 55.86 2gdt n GLU 102 Cb 0.39 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 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 0.06 -4.80 -2.10 2.62 -1.04 -1.26 -4.75 114.28 103.01 2gdt n THR 103 Ca 0.19 0.53 -0.34 0.00 -2.04 0.00 0.00 64.05 62.39 2gdt n THR 103 Cb 0.32 -4.03 0.01 0.00 -1.82 0.00 0.00 70.33 64.81 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 -1.01 3.21 0.06 -2.82 0.04 -1.26 -4.61 135.00 128.61 2gdt s PRO 104 Ca -0.05 1.48 0.22 0.00 0.04 0.00 0.00 61.00 62.68 2gdt s PRO 104 Cb 0.00 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 32.36 2gdt s PRO 104 CO 0.14 -0.94 0.70 0.44 0.04 0.00 0.00 177.00 177.38 2gdt n ILE 105 N -1.70 0.39 -3.75 0.56 -0.00 -0.72 -5.00 119.36 109.15 2gdt n ILE 105 Ca 0.11 -0.55 -0.08 0.00 -0.00 0.00 0.00 62.75 62.22 2gdt n ILE 105 Cb 0.52 -0.21 0.03 0.00 -0.00 0.00 0.00 39.64 39.98 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 -2.26 -1.64 -2.70 -1.28 0.00 -1.24 -5.03 120.51 106.35 2gdt n ALA 106 Ca -0.04 -1.19 -0.18 0.00 0.00 0.00 0.00 53.44 52.02 2gdt n ALA 106 Cb 0.61 0.95 -0.12 0.00 0.00 0.00 0.00 19.45 20.89 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 -2.61 1.20 -0.24 0.00 1.51 -1.26 -0.53 117.35 115.42 2gdt s TYR 107 Ca 0.15 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.77 2gdt s TYR 107 Cb -0.05 -0.68 0.07 0.00 -0.11 0.00 0.00 41.96 41.19 2gdt s TYR 107 CO 0.11 0.05 -0.01 1.03 -1.11 0.00 0.00 175.55 175.62 2gdt s ARG 108 N -1.64 1.29 0.12 -0.62 1.81 0.46 -4.88 118.95 115.49 2gdt s ARG 108 Ca -0.02 -0.93 -0.30 0.00 -1.72 0.00 0.00 55.73 52.77 2gdt s ARG 108 Cb -0.10 -2.45 -0.06 0.00 -0.45 0.00 0.00 34.95 31.90 2gdt s ARG 108 CO 0.02 -0.68 0.96 0.54 -0.68 0.00 0.00 175.30 175.47 2gdt s ASN 109 N 1.50 7.51 0.04 0.23 2.20 -1.26 -0.80 114.94 124.34 2gdt s ASN 109 Ca -0.02 1.81 -0.06 0.00 -0.94 0.00 0.00 52.86 53.65 2gdt s ASN 109 Cb -0.18 -2.59 -0.01 0.00 -2.00 0.00 0.00 41.25 36.47 2gdt s ASN 109 CO -0.09 -0.05 0.11 0.68 -2.94 0.00 0.00 177.10 174.81 2gdt s VAL 110 N -0.10 0.13 0.56 3.54 -7.23 -0.72 -4.99 120.40 111.59 2gdt s VAL 110 Ca 0.47 -1.04 -0.08 0.00 -1.81 0.00 0.00 61.98 59.51 2gdt s VAL 110 Cb -0.24 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 2gdt s VAL 110 CO 0.30 -0.57 0.92 -0.76 -0.31 0.00 0.00 175.10 174.68 2gdt s LEU 111 N -2.08 3.40 -0.25 1.32 2.01 -1.26 -0.53 118.68 121.30 2gdt s LEU 111 Ca -0.06 1.20 -0.07 0.00 0.01 0.00 0.00 54.13 55.21 2gdt s LEU 111 Cb -0.02 -4.20 -0.03 0.00 0.01 0.00 0.00 46.19 41.96 2gdt s LEU 111 CO -0.04 -0.75 0.06 -0.22 1.01 0.00 0.00 176.35 176.41 2gdt s LEU 112 N -4.99 3.39 0.83 1.79 2.96 0.10 -0.91 118.68 121.84 2gdt s LEU 112 Ca 0.52 -0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.10 2gdt s LEU 112 Cb -0.11 -1.91 0.09 0.00 0.50 0.00 0.00 46.19 44.77 2gdt s LEU 112 CO 0.50 -0.03 1.12 0.00 -1.32 0.00 0.00 176.35 176.62 2gdt s ARG 113 N 1.60 1.75 0.35 1.98 1.04 -0.65 -0.45 118.95 124.58 2gdt s ARG 113 Ca 0.06 1.35 0.01 0.00 -1.04 0.00 0.00 55.73 56.11 2gdt s ARG 113 Cb -0.15 -1.83 -0.00 0.00 -2.04 0.00 0.00 34.95 30.93 2gdt s ARG 113 CO 0.03 -2.05 0.04 1.63 -0.04 0.00 0.00 175.30 174.91 2gdt n LYS 114 N -3.77 0.92 0.00 3.89 5.02 -1.26 -4.86 118.16 118.11 2gdt n LYS 114 Ca 0.10 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.69 2gdt n LYS 114 Cb 0.52 1.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.53 2gdt n LYS 114 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gdt n ASN 115 N -1.39 0.00 0.00 4.39 3.02 -1.26 -4.97 115.26 115.05 2gdt n ASN 115 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2gdt n ASN 115 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25