#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 -3.29 -3.81 1.61 -0.00 -1.26 -4.82 115.22 103.64 2gdt n HIS 2 Ca 0.00 1.69 -0.37 0.00 -0.00 0.00 0.00 57.72 59.04 2gdt n HIS 2 Cb 0.00 -2.99 -0.13 0.00 -0.00 0.00 0.00 29.99 26.87 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 -2.66 3.71 -0.00 1.59 1.01 0.12 -4.85 120.40 119.32 2gdt s VAL 3 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2gdt s VAL 3 Cb 0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2gdt s VAL 3 CO 0.00 0.11 1.31 -1.58 0.00 0.00 0.00 175.10 174.94 2gdt s GLN 4 N 1.46 4.33 0.16 2.72 0.74 -1.26 -0.07 119.66 127.74 2gdt s GLN 4 Ca 0.02 1.85 0.07 0.00 0.05 0.00 0.00 55.36 57.35 2gdt s GLN 4 Cb -0.17 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2gdt s GLN 4 CO 0.01 -0.48 -0.14 -0.51 -0.55 0.00 0.00 175.29 173.62 2gdt s LEU 5 N 2.06 2.48 0.01 3.68 1.43 -0.45 -4.95 118.68 122.94 2gdt s LEU 5 Ca 0.61 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2gdt s LEU 5 Cb -0.29 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2gdt s LEU 5 CO 0.26 -0.17 -0.11 -0.44 0.23 0.00 0.00 176.35 176.11 2gdt s SER 6 N -2.87 1.34 0.05 2.29 0.01 -1.26 -0.62 113.70 112.65 2gdt s SER 6 Ca 0.15 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2gdt s SER 6 Cb -0.02 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 2gdt s SER 6 CO 0.04 0.09 -0.04 -0.76 0.41 0.00 0.00 173.24 172.98 2gdt s LEU 7 N -0.54 2.41 0.74 2.44 1.43 -0.16 -4.98 118.68 120.03 2gdt s LEU 7 Ca 0.03 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 2gdt s LEU 7 Cb -0.05 0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.27 2gdt s LEU 7 CO 0.00 -0.45 1.08 -2.16 0.23 0.00 0.00 176.35 175.04 2gdt s PRO 8 N -3.08 2.56 -0.25 1.29 0.04 -1.26 -0.58 135.00 133.72 2gdt s PRO 8 Ca 0.01 0.86 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2gdt s PRO 8 Cb 0.01 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2gdt s PRO 8 CO -0.06 -1.34 -0.11 0.08 0.04 0.00 0.00 177.00 175.61 2gdt s VAL 9 N -3.07 2.11 0.07 -0.36 1.01 0.38 -1.01 120.40 119.53 2gdt s VAL 9 Ca 0.59 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2gdt s VAL 9 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2gdt s VAL 9 CO 0.55 0.01 0.17 -0.76 0.00 0.00 0.00 175.10 175.08 2gdt s LEU 10 N 1.14 4.19 0.63 3.92 1.43 -1.21 -1.03 118.68 127.75 2gdt s LEU 10 Ca -0.08 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 2gdt s LEU 10 Cb -0.19 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 2gdt s LEU 10 CO -0.06 0.16 1.14 -1.10 0.23 0.00 0.00 176.35 176.73 2gdt s GLN 11 N -2.51 2.87 0.48 1.70 -0.21 -1.26 -4.67 119.66 116.06 2gdt s GLN 11 Ca 0.33 1.54 0.15 0.00 0.02 0.00 0.00 55.36 57.41 2gdt s GLN 11 Cb -0.13 -1.95 1.14 0.00 1.00 0.00 0.00 33.01 33.08 2gdt s GLN 11 CO 0.26 -1.22 2.06 -0.24 -2.12 0.00 0.00 175.29 174.04 2gdt h VAL 12 N 0.38 0.95 -0.18 1.09 3.04 -1.96 -1.46 116.25 118.11 2gdt h VAL 12 Ca -0.48 -0.08 -0.12 0.00 -1.01 0.00 0.00 66.70 65.02 2gdt h VAL 12 Cb 1.26 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2gdt h VAL 12 CO 0.54 0.04 -0.38 0.08 -1.01 0.00 0.00 177.57 176.84 2gdt h ARG 13 N 0.22 0.41 0.00 4.17 0.11 -1.92 -3.34 114.38 114.03 2gdt h ARG 13 Ca 0.14 -0.19 -0.23 0.00 0.10 0.00 0.00 59.98 59.81 2gdt h ARG 13 Cb 0.29 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.32 2gdt h ARG 13 CO -0.03 0.73 -1.33 -0.44 0.10 0.00 0.00 179.97 179.00 2gdt h ASP 14 N 0.34 0.00 0.00 0.08 3.32 -1.61 -3.42 116.42 115.13 2gdt h ASP 14 Ca 0.03 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 2gdt h ASP 14 Cb 0.83 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.43 2gdt h ASP 14 CO 0.07 0.86 1.07 0.52 -1.72 0.00 0.00 179.24 180.04 2gdt n VAL 15 N -3.11 0.00 0.09 -1.35 0.31 -1.17 -4.80 118.33 108.30 2gdt n VAL 15 Ca -0.09 -0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.26 2gdt n VAL 15 Cb 0.95 -1.57 0.17 0.00 -0.91 0.00 0.00 33.84 32.48 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 6.25 0.17 -3.79 7.52 4.77 -1.26 -3.10 117.00 127.55 2gdt n LEU 16 Ca 0.16 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 2gdt n LEU 16 Cb 0.15 -0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2gdt n LEU 16 CO 0.72 -0.46 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.30 2gdt s VAL 17 N -2.94 1.21 -1.28 4.08 1.01 -1.26 -5.01 120.40 116.21 2gdt s VAL 17 Ca -0.01 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.37 2gdt s VAL 17 Cb 0.02 -1.91 0.34 0.00 0.00 0.00 0.00 36.38 34.83 2gdt s VAL 17 CO 0.06 -0.68 1.15 0.54 0.00 0.00 0.00 175.10 176.18 2gdt n ARG 18 N 4.63 2.33 -3.23 2.72 5.12 -1.18 -4.41 116.66 122.64 2gdt n ARG 18 Ca -0.00 -1.34 0.03 0.00 -1.93 0.00 0.00 57.85 54.61 2gdt n ARG 18 Cb 0.41 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2gdt s GLY 19 N -0.65 -0.88 0.30 -0.13 0.00 -1.26 -3.36 107.32 101.35 2gdt s GLY 19 Ca 0.24 2.04 0.03 0.00 0.00 0.00 0.00 44.72 47.04 2gdt s GLY 19 CO 0.11 3.37 1.61 0.74 0.00 0.00 0.00 173.10 178.92 2gdt h PHE 20 N 7.99 0.21 -3.41 1.90 0.04 -1.86 -3.43 116.94 118.37 2gdt h PHE 20 Ca -0.21 0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 2gdt h PHE 20 Cb 1.15 0.06 -0.07 0.00 2.20 0.00 0.00 35.95 39.29 2gdt h PHE 20 CO 0.11 -0.34 0.03 0.20 -0.60 0.00 0.00 178.31 177.71 2gdt s GLY 21 N -4.15 0.38 -0.23 -1.45 0.00 -1.26 -4.92 107.32 95.69 2gdt s GLY 21 Ca -0.12 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 43.91 2gdt s GLY 21 CO 0.77 -0.45 1.45 1.34 0.00 0.00 0.00 173.10 176.22 2gdt n ASP 22 N -0.58 3.51 -3.85 1.64 -0.08 -1.26 -4.30 116.55 111.63 2gdt n ASP 22 Ca -0.03 -2.82 -0.10 0.00 -1.51 0.00 0.00 54.79 50.33 2gdt n ASP 22 Cb 0.61 -0.67 -0.06 0.00 2.34 0.00 0.00 41.12 43.34 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2gdt s SER 23 N -0.35 -0.09 0.14 1.67 0.01 -1.26 -4.95 113.70 108.87 2gdt s SER 23 Ca 0.32 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 2gdt s SER 23 Cb 0.27 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2gdt s SER 23 CO 0.07 -0.95 1.60 -0.37 0.41 0.00 0.00 173.24 174.00 2gdt h VAL 24 N 2.40 0.24 0.00 3.43 -1.51 -1.88 -0.34 116.25 118.59 2gdt h VAL 24 Ca -0.31 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.09 2gdt h VAL 24 Cb 1.24 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 2gdt h VAL 24 CO 0.44 0.00 -0.36 -0.33 -1.23 0.00 0.00 177.57 176.09 2gdt h GLU 25 N -0.39 0.00 0.34 5.19 4.39 -1.95 0.88 114.58 123.03 2gdt h GLU 25 Ca 0.10 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 2gdt h GLU 25 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2gdt h GLU 25 CO -0.40 0.36 -0.16 0.93 -1.16 0.00 0.00 179.01 178.58 2gdt h GLU 26 N 0.00 -0.44 -0.65 2.33 4.39 -1.81 -3.20 114.58 115.20 2gdt h GLU 26 Ca -0.00 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2gdt h GLU 26 Cb 0.79 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 2gdt h GLU 26 CO 0.05 -0.29 0.32 0.00 -1.16 0.00 0.00 179.01 177.93 2gdt h ALA 27 N -1.73 1.34 -0.36 3.43 0.00 -0.61 0.05 119.26 121.38 2gdt h ALA 27 Ca -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2gdt h ALA 27 Cb 0.35 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2gdt h ALA 27 CO 0.08 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.21 2gdt h LEU 28 N 0.92 0.09 0.47 0.00 6.46 -0.99 -0.09 115.31 122.17 2gdt h LEU 28 Ca 0.23 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 2gdt h LEU 28 Cb 0.08 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2gdt h LEU 28 CO -0.03 0.09 -0.23 -1.28 -0.62 0.00 0.00 178.44 176.37 2gdt h SER 29 N 0.25 -0.54 -0.15 1.25 0.87 -1.03 -2.65 113.55 111.54 2gdt h SER 29 Ca 0.17 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2gdt h SER 29 Cb 0.16 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2gdt h SER 29 CO -0.19 -0.24 0.07 -0.33 -0.53 0.00 0.00 176.83 175.62 2gdt h GLU 30 N -0.84 0.27 0.22 2.24 5.08 -1.18 -0.80 114.58 119.57 2gdt h GLU 30 Ca -0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2gdt h GLU 30 Cb 0.57 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2gdt h GLU 30 CO 0.11 0.23 -0.32 0.00 -1.00 0.00 0.00 179.01 178.03 2gdt h ALA 31 N 1.81 -0.62 -0.12 3.43 0.00 -0.89 0.34 119.26 123.22 2gdt h ALA 31 Ca 0.07 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2gdt h ALA 31 Cb 0.07 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gdt h ALA 31 CO -0.01 -0.89 0.13 0.00 0.00 0.00 0.00 179.25 178.48 2gdt h ARG 32 N -0.61 0.00 0.06 0.00 -0.00 -0.81 -0.52 114.38 112.50 2gdt h ARG 32 Ca 0.01 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.27 2gdt h ARG 32 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 2gdt h ARG 32 CO -0.12 0.00 -1.11 1.05 0.00 0.00 0.00 179.97 179.79 2gdt h GLU 33 N 0.00 0.13 0.00 0.04 4.11 -0.66 -3.25 114.58 114.96 2gdt h GLU 33 Ca 0.06 -0.23 -0.12 0.00 0.07 0.00 0.00 59.36 59.14 2gdt h GLU 33 Cb 0.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2gdt h GLU 33 CO -0.00 1.11 -0.58 0.45 0.07 0.00 0.00 179.01 180.06 2gdt h HIS 34 N -0.62 0.00 0.27 2.06 3.86 -0.08 -0.71 115.15 119.92 2gdt h HIS 34 Ca -0.26 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.96 2gdt h HIS 34 Cb 1.50 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.93 2gdt h HIS 34 CO 0.15 0.58 -0.43 -0.07 0.86 0.00 0.00 177.93 179.02 2gdt h LEU 35 N 0.00 -1.21 -0.26 2.43 3.38 -1.24 -0.71 115.31 117.70 2gdt h LEU 35 Ca -0.01 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2gdt h LEU 35 Cb 1.12 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2gdt h LEU 35 CO 0.08 -0.53 0.06 0.50 0.09 0.00 0.00 178.44 178.63 2gdt h LYS 36 N -0.76 0.15 0.00 1.13 3.11 -1.45 -2.01 116.57 116.74 2gdt h LYS 36 Ca -0.01 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2gdt h LYS 36 Cb 0.72 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2gdt h LYS 36 CO -0.16 0.10 0.00 0.09 -2.81 0.00 0.00 179.45 176.67 2gdt n ASN 37 N -5.08 0.21 0.00 4.20 3.02 -0.33 -4.86 115.26 112.42 2gdt n ASN 37 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2gdt n ASN 37 Cb 0.11 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2gdt n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gdt n GLY 38 N -0.39 0.77 2.59 7.41 0.00 -0.41 -4.94 105.19 110.23 2gdt n GLY 38 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2gdt n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gdt n THR 39 N -2.30 2.69 -4.29 2.61 5.66 -0.42 -4.92 114.28 113.31 2gdt n THR 39 Ca 0.00 -4.85 -0.17 0.00 -3.05 0.00 0.00 64.05 55.98 2gdt n THR 39 Cb 0.00 -1.27 -0.10 0.00 -1.55 0.00 0.00 70.33 67.40 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdt s GLY 41 N -3.02 1.08 -0.22 0.00 0.00 0.58 -4.13 107.32 101.61 2gdt s GLY 41 Ca 0.17 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.28 2gdt s GLY 41 CO 0.04 -1.46 0.12 -2.27 0.00 0.00 0.00 173.10 169.53 2gdt s LEU 42 N -3.11 4.00 -0.15 0.66 2.96 -0.18 -2.00 118.68 120.87 2gdt s LEU 42 Ca 0.23 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 2gdt s LEU 42 Cb 0.07 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2gdt s LEU 42 CO 0.02 0.11 0.04 -0.69 -1.32 0.00 0.00 176.35 174.52 2gdt s VAL 43 N 0.75 4.64 0.18 1.68 1.01 0.55 -3.33 120.40 125.89 2gdt s VAL 43 Ca 0.06 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2gdt s VAL 43 Cb -0.13 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2gdt s VAL 43 CO 0.02 0.51 0.92 -1.61 0.00 0.00 0.00 175.10 174.94 2gdt s GLU 44 N -0.02 4.75 -0.20 2.72 2.02 -1.26 -0.90 118.70 125.82 2gdt s GLU 44 Ca 0.05 1.42 -0.29 0.00 0.02 0.00 0.00 54.97 56.17 2gdt s GLU 44 Cb -0.12 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2gdt s GLU 44 CO 0.01 0.41 1.02 -0.51 0.02 0.00 0.00 175.26 176.22 2gdt s LEU 45 N -0.72 4.14 0.30 1.80 1.43 -1.26 -4.89 118.68 119.47 2gdt s LEU 45 Ca 0.42 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2gdt s LEU 45 Cb -0.24 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2gdt s LEU 45 CO 0.30 -0.60 0.14 -1.61 0.23 0.00 0.00 176.35 174.81 2gdt s GLU 46 N 2.85 1.56 0.09 1.70 2.02 -1.26 -5.06 118.70 120.60 2gdt s GLU 46 Ca 0.45 -1.88 -0.36 0.00 0.02 0.00 0.00 54.97 53.20 2gdt s GLU 46 Cb -0.16 -0.15 -0.17 0.00 0.10 0.00 0.00 34.13 33.76 2gdt s GLU 46 CO 0.09 -0.42 1.56 -0.22 0.02 0.00 0.00 175.26 176.29 2gdt h LYS 47 N 2.24 -0.93 -1.67 1.61 3.64 -2.01 -2.79 116.57 116.67 2gdt h LYS 47 Ca -0.35 0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 58.82 2gdt h LYS 47 Cb 1.25 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 33.16 2gdt h LYS 47 CO 0.54 -0.62 0.31 0.41 -2.27 0.00 0.00 179.45 177.83 2gdt n GLY 48 N -1.55 3.81 0.16 5.01 0.00 -1.26 -4.33 105.19 107.03 2gdt n GLY 48 Ca -0.11 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 0.68 1.47 -0.34 1.61 0.31 -1.05 -4.44 118.33 116.57 2gdt n VAL 49 Ca 0.27 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.59 2gdt n VAL 49 Cb 0.57 -2.15 0.07 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.94 -1.16 0.00 7.52 3.38 -1.78 0.14 115.31 122.47 2gdt h LEU 50 Ca -0.23 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2gdt h LEU 50 Cb 1.16 0.65 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2gdt h LEU 50 CO -0.14 -0.30 0.00 -0.81 0.09 0.00 0.00 178.44 177.28 2gdt n PRO 51 N -5.52 0.95 0.00 1.13 -0.04 -1.26 -1.85 135.00 128.41 2gdt n PRO 51 Ca 0.11 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2gdt n PRO 51 Cb 0.42 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.96 1.08 -1.80 0.54 6.02 0.44 -4.96 117.38 117.74 2gdt n GLN 52 Ca 0.21 -0.45 -0.21 0.00 -0.01 0.00 0.00 57.00 56.55 2gdt n GLN 52 Cb 0.10 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.09 2gdt n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gdt n LEU 53 N -0.78 0.00 0.00 1.08 7.99 -0.77 -4.96 117.00 119.56 2gdt n LEU 53 Ca 0.06 -1.38 0.00 0.00 -0.01 0.00 0.00 56.01 54.67 2gdt n LEU 53 Cb 0.35 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 2gdt n LEU 53 CO 0.32 -1.07 0.00 -0.62 -1.51 0.00 0.00 177.39 174.51 2gdt n GLU 54 N -2.83 0.00 0.17 3.23 -0.58 -1.21 -5.03 120.64 114.39 2gdt n GLU 54 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2gdt n GLU 54 Cb 0.46 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2gdt n GLN 55 N 0.00 0.00 -2.26 3.49 6.02 -1.26 -4.95 117.38 118.41 2gdt n GLN 55 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 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 -1.75 2.99 -0.84 -1.09 0.04 -1.26 -4.45 135.00 128.64 2gdt s PRO 56 Ca 0.00 -0.65 -0.25 0.00 0.04 0.00 0.00 61.00 60.14 2gdt s PRO 56 Cb 0.00 -5.19 0.03 0.00 0.04 0.00 0.00 34.50 29.38 2gdt s PRO 56 CO 0.00 -2.89 1.39 0.71 0.04 0.00 0.00 177.00 176.25 2gdt s TYR 57 N 7.94 2.33 -1.01 0.56 2.02 -0.68 -4.77 117.35 123.73 2gdt s TYR 57 Ca 0.60 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.78 2gdt s TYR 57 Cb -0.04 -4.61 0.04 0.00 -0.40 0.00 0.00 41.96 36.95 2gdt s TYR 57 CO -0.04 -2.03 1.52 0.08 -1.57 0.00 0.00 175.55 173.50 2gdt s VAL 58 N 5.75 3.87 0.62 0.71 1.01 -1.26 -3.21 120.40 127.89 2gdt s VAL 58 Ca 0.42 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2gdt s VAL 58 Cb -0.05 -4.94 -0.04 0.00 0.00 0.00 0.00 36.38 31.35 2gdt s VAL 58 CO 0.05 -1.82 1.03 -0.36 0.00 0.00 0.00 175.10 174.00 2gdt s PHE 59 N 5.59 3.57 -0.28 5.22 0.08 -0.56 -0.88 117.98 130.72 2gdt s PHE 59 Ca 0.49 1.31 -0.04 0.00 0.12 0.00 0.00 56.93 58.82 2gdt s PHE 59 Cb -0.01 -2.74 0.02 0.00 -0.57 0.00 0.00 43.02 39.73 2gdt s PHE 59 CO -0.08 -0.72 0.00 0.96 -0.10 0.00 0.00 175.22 175.28 2gdt s ILE 60 N -3.13 3.32 0.22 0.64 -4.36 -0.21 -1.73 121.20 115.95 2gdt s ILE 60 Ca 0.56 -0.95 0.10 0.00 -0.26 0.00 0.00 60.65 60.09 2gdt s ILE 60 Cb -0.11 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 2gdt s ILE 60 CO 0.53 0.10 -0.13 -1.59 0.24 0.00 0.00 174.94 174.08 2gdt s LYS 61 N 1.38 1.90 -0.29 0.37 -2.85 -1.13 -1.19 119.74 117.93 2gdt s LYS 61 Ca 0.00 -1.45 -0.04 0.00 -1.00 0.00 0.00 55.97 53.48 2gdt s LYS 61 Cb -0.17 -2.01 -0.13 0.00 -2.06 0.00 0.00 37.83 33.45 2gdt s LYS 61 CO -0.01 0.39 2.37 2.89 0.10 0.00 0.00 175.35 181.09 2gdt n ARG 62 N -0.19 1.53 0.00 1.78 1.85 -1.26 -0.44 116.66 119.93 2gdt n ARG 62 Ca -0.09 -0.88 0.00 0.00 -1.00 0.00 0.00 57.85 55.88 2gdt n ARG 62 Cb 0.57 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 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 3.10 0.00 0.00 2.89 2.88 -1.26 -4.70 113.62 116.53 2gdt n SER 63 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2gdt n SER 63 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.99 0.00 0.00 -3.46 2.03 -1.26 -4.87 116.55 109.98 2gdt n ASP 64 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2gdt n ASP 64 Cb 0.00 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gdt n ALA 65 N 0.41 0.00 -2.70 -1.67 0.00 -1.26 -4.93 120.51 110.36 2gdt n ALA 65 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2gdt n ALA 65 Cb 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 19.45 19.36 2gdt n ALA 65 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2gdt n LEU 66 N 0.00 -0.55 -4.53 0.00 -0.00 -1.26 -5.10 117.00 105.57 2gdt n LEU 66 Ca 0.00 -3.40 -0.40 0.00 -0.00 0.00 0.00 56.01 52.20 2gdt n LEU 66 Cb 0.00 0.20 -0.06 0.00 -0.00 0.00 0.00 43.42 43.56 2gdt n LEU 66 CO 0.00 1.66 2.01 -1.54 -0.00 0.00 0.00 177.39 179.52 2gdt n SER 67 N -0.69 2.05 -3.65 1.45 3.41 -1.26 -4.89 113.62 110.04 2gdt n SER 67 Ca -0.02 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.35 2gdt n SER 67 Cb 0.84 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.30 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 10.37 -0.00 -0.15 6.66 2.01 -1.26 -5.07 115.64 128.20 2gdt s THR 68 Ca 1.07 0.02 0.17 0.00 0.31 0.00 0.00 61.69 63.26 2gdt s THR 68 Cb -0.50 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 71.02 2gdt s THR 68 CO 0.35 0.01 0.97 0.78 -0.69 0.00 0.00 174.62 176.04 2gdt h ASN 69 N 6.76 0.00 -4.03 3.53 4.21 -1.99 -3.47 115.58 120.58 2gdt h ASN 69 Ca -0.31 0.00 -0.50 0.00 1.21 0.00 0.00 56.30 56.70 2gdt h ASN 69 Cb 1.21 0.00 0.20 0.00 -1.12 0.00 0.00 38.32 38.62 2gdt h ASN 69 CO 0.18 0.47 0.16 1.41 -1.29 0.00 0.00 177.43 178.36 2gdt n HIS 70 N -2.92 0.38 -3.12 1.19 8.25 -1.26 -4.89 115.22 112.85 2gdt n HIS 70 Ca -0.06 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2gdt n HIS 70 Cb 0.77 -1.93 0.00 0.00 1.12 0.00 0.00 29.99 29.95 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gdt n GLY 71 N 0.44 -2.09 3.89 -1.41 0.00 -1.26 -4.89 105.19 99.87 2gdt n GLY 71 Ca 0.10 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.08 3.48 -1.00 1.61 0.09 -1.26 -5.02 115.29 113.11 2gdt s HIS 72 Ca 0.00 1.02 -0.23 0.00 -0.00 0.00 0.00 55.06 55.85 2gdt s HIS 72 Cb 0.00 -2.73 0.05 0.00 -0.00 0.00 0.00 32.58 29.90 2gdt s HIS 72 CO 0.00 -0.75 1.45 0.15 -0.00 0.00 0.00 174.74 175.59 2gdt s LYS 73 N -5.10 3.55 0.66 1.40 1.02 -1.26 -5.00 119.74 115.00 2gdt s LYS 73 Ca 0.54 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 2gdt s LYS 73 Cb -0.11 -5.30 -0.00 0.00 -0.52 0.00 0.00 37.83 31.90 2gdt s LYS 73 CO 0.50 -2.23 1.29 0.08 -0.92 0.00 0.00 175.35 174.07 2gdt s VAL 74 N 5.11 2.02 0.28 3.17 1.01 -1.26 -4.02 120.40 126.71 2gdt s VAL 74 Ca 0.46 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2gdt s VAL 74 Cb -0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 2gdt s VAL 74 CO -0.09 -0.00 0.28 1.33 0.00 0.00 0.00 175.10 176.62 2gdt n VAL 75 N -2.01 0.00 -4.05 2.92 0.24 -1.26 -4.16 118.33 110.01 2gdt n VAL 75 Ca 0.16 -1.90 -0.12 0.00 -2.04 0.00 0.00 64.34 60.44 2gdt n VAL 75 Cb 0.48 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 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 -3.02 1.69 0.03 7.34 -1.05 0.41 -4.39 118.70 119.71 2gdt s GLU 76 Ca 0.31 -1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 53.42 2gdt s GLU 76 Cb 0.01 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 34.08 2gdt s GLU 76 CO 0.22 -0.69 0.58 -0.51 0.95 0.00 0.00 175.26 175.81 2gdt s LEU 77 N -3.13 4.47 0.03 1.83 2.01 -1.26 -2.85 118.68 119.78 2gdt s LEU 77 Ca 0.27 1.20 -0.09 0.00 0.01 0.00 0.00 54.13 55.53 2gdt s LEU 77 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 46.19 43.30 2gdt s LEU 77 CO 0.14 0.18 0.17 -0.69 1.01 0.00 0.00 176.35 177.16 2gdt s VAL 78 N -0.60 0.10 -0.04 -1.59 1.01 -0.70 -4.99 120.40 113.59 2gdt s VAL 78 Ca 0.30 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2gdt s VAL 78 Cb -0.19 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2gdt s VAL 78 CO 0.18 -0.47 0.01 0.00 0.00 0.00 0.00 175.10 174.81 2gdt s ALA 79 N -2.22 0.37 0.20 5.51 0.00 -1.26 -1.50 121.76 122.85 2gdt s ALA 79 Ca -0.08 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.07 2gdt s ALA 79 Cb -0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2gdt s ALA 79 CO -0.02 -0.19 -0.12 -1.21 0.00 0.00 0.00 175.76 174.22 2gdt s GLU 80 N 1.32 1.28 -0.15 0.00 0.41 -1.20 -5.00 118.70 115.37 2gdt s GLU 80 Ca -0.05 -1.57 -0.12 0.00 -0.41 0.00 0.00 54.97 52.81 2gdt s GLU 80 Cb -0.13 -0.96 -0.06 0.00 -1.78 0.00 0.00 34.13 31.19 2gdt s GLU 80 CO -0.02 0.13 -0.26 -1.33 -0.49 0.00 0.00 175.26 173.28 2gdt n MET 81 N -0.35 0.41 -0.02 1.61 2.81 -1.26 -1.68 117.12 118.63 2gdt n MET 81 Ca -0.08 0.17 0.11 0.00 -1.81 0.00 0.00 57.70 56.09 2gdt n MET 81 Cb 0.61 -1.21 0.56 0.00 -0.71 0.00 0.00 33.22 32.47 2gdt n MET 81 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2gdt n ASP 82 N -4.10 0.57 -3.18 7.83 2.03 -1.26 -4.40 116.55 114.03 2gdt n ASP 82 Ca -0.22 -1.44 -0.22 0.00 0.52 0.00 0.00 54.79 53.43 2gdt n ASP 82 Cb 0.54 -0.03 0.06 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.94 -0.46 0.32 0.27 0.00 -1.26 -4.91 105.19 100.08 2gdt n GLY 83 Ca 0.16 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.02 0.47 -2.60 -0.61 2.04 -1.90 -3.40 117.51 109.49 2gdt h ILE 84 Ca -0.52 -0.14 -0.54 0.00 1.00 0.00 0.00 64.86 64.66 2gdt h ILE 84 Cb 1.35 0.03 -0.13 0.00 -0.74 0.00 0.00 36.82 37.32 2gdt h ILE 84 CO 0.53 0.07 -0.54 -1.10 0.00 0.00 0.00 178.15 177.12 2gdt s GLN 85 N -5.87 1.86 0.00 2.37 -0.21 -1.26 -4.93 119.66 111.62 2gdt s GLN 85 Ca -0.11 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 53.15 2gdt s GLN 85 Cb 0.26 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.55 2gdt s GLN 85 CO 0.78 -0.39 0.00 0.66 -2.12 0.00 0.00 175.29 174.22 2gdt n TYR 86 N -0.86 0.00 0.09 0.91 4.01 -1.26 -4.54 117.16 115.51 2gdt n TYR 86 Ca -0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 2gdt n TYR 86 Cb 0.65 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.77 -0.59 2.72 0.00 -1.91 -1.08 103.07 101.44 2gdt h GLY 87 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2gdt h GLY 87 CO 0.00 -0.26 0.00 -0.96 0.00 0.00 0.00 176.54 175.32 2gdt n ARG 88 N -5.45 1.47 -1.72 4.80 0.00 -1.26 -4.93 116.66 109.57 2gdt n ARG 88 Ca -0.06 -0.72 -0.30 0.00 -0.00 0.00 0.00 57.85 56.77 2gdt n ARG 88 Cb 0.37 -1.23 0.22 0.00 -0.00 0.00 0.00 32.46 31.82 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 -1.20 2.22 -0.02 2.89 0.01 -0.41 -5.02 113.70 112.18 2gdt s SER 89 Ca 0.20 0.23 0.19 0.00 1.31 0.00 0.00 55.95 57.88 2gdt s SER 89 Cb 0.10 -0.22 -0.25 0.00 0.21 0.00 0.00 66.02 65.86 2gdt s SER 89 CO 0.15 -3.29 0.55 0.61 0.41 0.00 0.00 173.24 171.67 2gdt n GLY 90 N -3.13 -0.80 3.42 3.44 0.00 -1.26 -4.81 105.19 102.04 2gdt n GLY 90 Ca 0.16 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2gdt n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gdt s ILE 91 N -3.07 1.68 0.00 -0.61 2.07 -1.26 -5.02 121.20 114.98 2gdt s ILE 91 Ca -0.01 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 2gdt s ILE 91 Cb 0.13 -2.10 0.00 0.00 0.13 0.00 0.00 42.46 40.62 2gdt s ILE 91 CO 0.77 0.00 0.00 0.41 -1.91 0.00 0.00 174.94 174.21 2gdt n THR 92 N -5.19 0.00 0.00 4.00 -1.04 -1.26 -4.89 114.28 105.90 2gdt n THR 92 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 2gdt n THR 92 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2gdt n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2gdt n LEU 93 N -0.34 1.46 0.00 -4.42 4.77 -0.34 -4.97 117.00 113.16 2gdt n LEU 93 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gdt n LEU 93 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gdt n LEU 93 CO 0.00 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2gdt n GLY 94 N 3.09 0.69 3.54 -0.72 0.00 -1.25 -4.29 105.19 106.25 2gdt n GLY 94 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.11 3.01 -0.07 1.61 1.01 -0.08 -1.04 120.40 122.73 2gdt s VAL 95 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.18 2gdt s VAL 95 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2gdt s VAL 95 CO 0.00 -0.13 0.11 -0.76 0.00 0.00 0.00 175.10 174.32 2gdt s LEU 96 N -2.85 4.12 0.18 3.92 1.43 -0.06 -0.33 118.68 125.10 2gdt s LEU 96 Ca 0.24 0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2gdt s LEU 96 Cb -0.08 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2gdt s LEU 96 CO 0.14 0.34 0.10 0.68 0.23 0.00 0.00 176.35 177.84 2gdt s VAL 97 N -1.10 0.14 0.88 -1.59 -7.23 -0.84 -4.45 120.40 106.21 2gdt s VAL 97 Ca 0.19 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 2gdt s VAL 97 Cb -0.12 -2.35 0.12 0.00 0.56 0.00 0.00 36.38 34.59 2gdt s VAL 97 CO 0.09 -0.17 1.17 -2.84 -0.31 0.00 0.00 175.10 173.03 2gdt s PRO 98 N -4.10 1.22 -0.26 4.82 0.02 -1.26 -0.31 135.00 135.13 2gdt s PRO 98 Ca 0.33 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2gdt s PRO 98 Cb 0.07 -1.74 0.02 0.00 0.02 0.00 0.00 34.50 32.87 2gdt s PRO 98 CO 0.09 -2.50 -0.01 -1.58 -0.33 0.00 0.00 177.00 172.67 2gdt s HIS 99 N -2.47 3.08 -0.47 6.54 2.46 -0.12 -3.62 115.29 120.69 2gdt s HIS 99 Ca 0.69 -1.26 0.09 0.00 0.47 0.00 0.00 55.06 55.04 2gdt s HIS 99 Cb -0.25 -2.14 0.36 0.00 -0.13 0.00 0.00 32.58 30.43 2gdt s HIS 99 CO 0.55 -0.65 0.88 0.28 -2.47 0.00 0.00 174.74 173.34 2gdt n VAL 100 N 4.76 1.64 -2.19 0.89 0.31 -1.26 -4.45 118.33 118.02 2gdt n VAL 100 Ca -0.16 -4.96 -0.19 0.00 -0.01 0.00 0.00 64.34 59.03 2gdt n VAL 100 Cb 0.48 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.58 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gdt n GLY 101 N -0.06 0.04 0.00 2.92 0.00 -1.26 -4.85 105.19 101.97 2gdt n GLY 101 Ca 0.28 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.72 0.81 -1.76 1.61 1.02 -1.26 -4.95 120.64 113.39 2gdt n GLU 102 Ca -0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.91 2gdt n GLU 102 Cb 0.66 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2gdt n THR 103 N -0.89 -7.26 -2.16 2.62 -1.04 -1.26 -4.85 114.28 99.44 2gdt n THR 103 Ca 0.15 1.35 -0.32 0.00 -2.04 0.00 0.00 64.05 63.19 2gdt n THR 103 Cb 0.07 -4.59 -0.01 0.00 -1.82 0.00 0.00 70.33 63.98 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 -1.16 3.57 -0.04 -2.82 0.04 -1.26 -4.54 135.00 128.78 2gdt s PRO 104 Ca -0.06 1.06 0.20 0.00 0.04 0.00 0.00 61.00 62.25 2gdt s PRO 104 Cb 0.00 -2.08 -0.26 0.00 0.04 0.00 0.00 34.50 32.21 2gdt s PRO 104 CO 0.15 -0.59 0.46 0.44 0.04 0.00 0.00 177.00 177.50 2gdt n ILE 105 N -1.94 0.60 -3.81 0.56 -0.00 -0.20 -4.98 119.36 109.59 2gdt n ILE 105 Ca 0.08 -0.63 -0.09 0.00 -0.00 0.00 0.00 62.75 62.11 2gdt n ILE 105 Cb 0.53 -0.26 0.03 0.00 -0.00 0.00 0.00 39.64 39.94 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt s ALA 106 N -3.14 -0.73 0.25 -1.28 0.00 -1.21 -5.04 121.76 110.60 2gdt s ALA 106 Ca -0.07 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.18 2gdt s ALA 106 Cb 0.11 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 2gdt s ALA 106 CO 0.86 -0.99 -0.08 0.71 0.00 0.00 0.00 175.76 176.27 2gdt s TYR 107 N -2.15 1.84 -0.02 0.00 1.51 -1.26 -0.47 117.35 116.80 2gdt s TYR 107 Ca 0.16 -0.68 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 2gdt s TYR 107 Cb -0.05 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 2gdt s TYR 107 CO 0.12 0.27 0.06 0.50 -1.11 0.00 0.00 175.55 175.39 2gdt s ARG 108 N -3.71 0.07 0.14 -0.62 6.06 0.26 -4.84 118.95 116.31 2gdt s ARG 108 Ca 0.27 0.09 -0.17 0.00 -2.50 0.00 0.00 55.73 53.42 2gdt s ARG 108 Cb 0.03 0.02 -0.07 0.00 0.06 0.00 0.00 34.95 34.99 2gdt s ARG 108 CO 0.10 -0.01 0.60 0.54 -2.50 0.00 0.00 175.30 174.03 2gdt s ASN 109 N 0.07 6.97 0.21 -2.12 4.22 -1.26 -0.99 114.94 122.04 2gdt s ASN 109 Ca -0.00 1.23 -0.03 0.00 -2.14 0.00 0.00 52.86 51.92 2gdt s ASN 109 Cb -0.01 -2.35 -0.03 0.00 1.28 0.00 0.00 41.25 40.14 2gdt s ASN 109 CO -0.00 0.14 0.19 0.68 -2.04 0.00 0.00 177.10 176.07 2gdt s VAL 110 N -1.36 0.00 0.27 3.54 -7.23 0.21 -5.00 120.40 110.83 2gdt s VAL 110 Ca 0.36 -1.89 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 2gdt s VAL 110 Cb -0.17 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2gdt s VAL 110 CO 0.20 0.00 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.22 2gdt s LEU 111 N -3.14 3.15 0.04 1.32 2.01 -1.26 -1.34 118.68 119.47 2gdt s LEU 111 Ca 0.36 -0.69 0.07 0.00 0.01 0.00 0.00 54.13 53.88 2gdt s LEU 111 Cb 0.06 -1.66 -0.02 0.00 0.01 0.00 0.00 46.19 44.57 2gdt s LEU 111 CO 0.12 -0.02 -0.21 -0.22 1.01 0.00 0.00 176.35 177.02 2gdt s LEU 112 N -3.67 2.16 0.81 1.79 2.96 0.90 -4.04 118.68 119.59 2gdt s LEU 112 Ca 0.32 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.57 2gdt s LEU 112 Cb -0.06 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.66 2gdt s LEU 112 CO 0.20 0.17 0.87 0.54 -1.32 0.00 0.00 176.35 176.81 2gdt n ARG 113 N 1.88 0.12 -3.77 1.98 3.00 -1.26 0.13 116.66 118.73 2gdt n ARG 113 Ca -0.17 0.10 -0.13 0.00 -0.01 0.00 0.00 57.85 57.64 2gdt n ARG 113 Cb 0.53 -2.16 -0.09 0.00 0.00 0.00 0.00 32.46 30.75 2gdt n ARG 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2gdt s LYS 114 N -3.66 0.67 0.00 5.56 2.20 -1.26 -4.64 119.74 118.61 2gdt s LYS 114 Ca 0.68 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2gdt s LYS 114 Cb -0.29 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 2gdt s LYS 114 CO 0.56 -0.19 0.00 0.09 -0.36 0.00 0.00 175.35 175.45 2gdt n ASN 115 N 1.18 0.00 0.00 1.43 3.02 -1.26 -4.92 115.26 114.72 2gdt n ASN 115 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2gdt n ASN 115 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25