#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 2.18 -0.31 1.61 4.02 -1.26 -4.32 115.29 117.21 2gdt s HIS 2 Ca 0.00 -0.61 -0.15 0.00 1.02 0.00 0.00 55.06 55.32 2gdt s HIS 2 Cb 0.00 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.58 30.27 2gdt s HIS 2 CO 0.00 0.42 0.37 0.08 1.02 0.00 0.00 174.74 176.63 2gdt s VAL 3 N -2.82 5.17 0.37 -0.90 1.01 -0.13 -4.82 120.40 118.27 2gdt s VAL 3 Ca 0.31 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 2gdt s VAL 3 Cb 0.03 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 2gdt s VAL 3 CO 0.14 0.02 1.24 -1.58 0.00 0.00 0.00 175.10 174.92 2gdt s GLN 4 N 2.05 4.19 0.10 2.72 0.74 -1.26 -0.23 119.66 127.98 2gdt s GLN 4 Ca 0.13 2.03 0.00 0.00 0.05 0.00 0.00 55.36 57.57 2gdt s GLN 4 Cb -0.16 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 2gdt s GLN 4 CO 0.11 -0.26 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.06 2gdt s LEU 5 N -2.14 2.31 -0.03 3.68 1.43 0.09 -4.91 118.68 119.10 2gdt s LEU 5 Ca 0.53 -1.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.50 2gdt s LEU 5 Cb -0.35 0.09 0.01 0.00 0.03 0.00 0.00 46.19 45.97 2gdt s LEU 5 CO 0.46 -0.58 0.15 -0.94 0.23 0.00 0.00 176.35 175.67 2gdt s SER 6 N -3.02 -0.08 0.05 2.29 1.04 -1.26 -1.26 113.70 111.47 2gdt s SER 6 Ca 0.14 0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 2gdt s SER 6 Cb 0.07 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 2gdt s SER 6 CO -0.04 -0.20 0.15 -0.76 0.98 0.00 0.00 173.24 173.37 2gdt s LEU 7 N -0.60 1.56 1.04 2.42 1.43 -0.00 -4.99 118.68 119.53 2gdt s LEU 7 Ca -0.07 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 2gdt s LEU 7 Cb -0.04 0.84 0.21 0.00 0.03 0.00 0.00 46.19 47.23 2gdt s LEU 7 CO 0.01 -0.58 1.08 -2.16 0.23 0.00 0.00 176.35 174.92 2gdt s PRO 8 N -2.91 0.08 -0.07 1.29 0.04 -1.26 -0.44 135.00 131.72 2gdt s PRO 8 Ca -0.02 0.58 0.02 0.00 0.04 0.00 0.00 61.00 61.61 2gdt s PRO 8 Cb 0.01 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2gdt s PRO 8 CO -0.06 -2.99 -0.11 0.08 0.04 0.00 0.00 177.00 173.97 2gdt s VAL 9 N -2.85 1.07 0.21 -0.36 1.01 0.94 -2.10 120.40 118.32 2gdt s VAL 9 Ca 0.66 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.32 2gdt s VAL 9 Cb -0.20 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2gdt s VAL 9 CO 0.59 0.35 -0.15 -0.76 0.00 0.00 0.00 175.10 175.13 2gdt s LEU 10 N 0.82 2.77 0.35 3.92 1.43 -0.95 -0.69 118.68 126.33 2gdt s LEU 10 Ca -0.12 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 51.98 2gdt s LEU 10 Cb -0.15 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 2gdt s LEU 10 CO 0.02 0.09 1.11 -1.10 0.23 0.00 0.00 176.35 176.70 2gdt s GLN 11 N -2.96 4.34 0.51 1.70 -0.21 -1.26 -4.65 119.66 117.13 2gdt s GLN 11 Ca 0.25 1.74 0.24 0.00 0.02 0.00 0.00 55.36 57.60 2gdt s GLN 11 Cb -0.08 -2.86 1.34 0.00 1.00 0.00 0.00 33.01 32.41 2gdt s GLN 11 CO 0.14 -0.04 1.98 -0.24 -2.12 0.00 0.00 175.29 175.01 2gdt h VAL 12 N 2.62 0.74 -0.07 1.09 3.04 -1.95 -0.58 116.25 121.14 2gdt h VAL 12 Ca -0.48 -0.02 -0.15 0.00 -1.01 0.00 0.00 66.70 65.03 2gdt h VAL 12 Cb 1.22 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2gdt h VAL 12 CO 0.64 0.01 -0.63 0.08 -1.01 0.00 0.00 177.57 176.67 2gdt h ARG 13 N 0.07 0.28 -0.04 4.17 0.11 -1.96 -3.18 114.38 113.82 2gdt h ARG 13 Ca 0.27 -0.20 -0.16 0.00 0.10 0.00 0.00 59.98 59.99 2gdt h ARG 13 Cb 1.00 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 2gdt h ARG 13 CO -0.02 0.82 -0.69 -0.44 0.10 0.00 0.00 179.97 179.73 2gdt h ASP 14 N 0.20 0.26 0.00 0.08 5.19 -1.49 -3.37 116.42 117.30 2gdt h ASP 14 Ca -0.01 -0.17 -0.52 0.00 -0.62 0.00 0.00 57.03 55.72 2gdt h ASP 14 Cb 1.15 -0.08 0.02 0.00 0.18 0.00 0.00 39.33 40.61 2gdt h ASP 14 CO 0.10 0.87 2.68 0.52 -3.12 0.00 0.00 179.24 180.29 2gdt n VAL 15 N -3.80 2.51 -0.24 -1.35 0.31 -1.14 -4.81 118.33 109.82 2gdt n VAL 15 Ca -0.03 -1.73 0.16 0.00 -0.01 0.00 0.00 64.34 62.73 2gdt n VAL 15 Cb 0.68 -2.27 0.30 0.00 -0.91 0.00 0.00 33.84 31.63 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 5.29 0.06 -3.98 7.52 4.77 -1.26 -3.59 117.00 125.81 2gdt n LEU 16 Ca 0.50 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 57.35 2gdt n LEU 16 Cb 0.24 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2gdt n LEU 16 CO 0.84 -1.25 -0.42 0.54 -1.33 0.00 0.00 177.39 175.77 2gdt s VAL 17 N -5.37 1.80 -0.27 4.08 0.11 -1.26 -4.98 120.40 114.50 2gdt s VAL 17 Ca -0.08 -1.53 0.21 0.00 -2.93 0.00 0.00 61.98 57.66 2gdt s VAL 17 Cb 0.22 -2.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.08 2gdt s VAL 17 CO 0.55 -0.18 1.19 0.03 -3.33 0.00 0.00 175.10 173.36 2gdt h ARG 18 N 7.85 0.00 -6.57 1.54 -0.00 -1.94 -3.39 114.38 111.87 2gdt h ARG 18 Ca -0.16 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.80 2gdt h ARG 18 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.99 2gdt h ARG 18 CO 0.45 0.07 0.14 0.20 0.00 0.00 0.00 179.97 180.83 2gdt s GLY 19 N -4.38 2.71 0.31 0.04 0.00 -1.26 -4.29 107.32 100.46 2gdt s GLY 19 Ca 0.01 0.24 0.20 0.00 0.00 0.00 0.00 44.72 45.18 2gdt s GLY 19 CO 0.76 0.65 1.38 0.74 0.00 0.00 0.00 173.10 176.63 2gdt h PHE 20 N 3.68 0.00 -1.43 1.90 0.04 -1.89 -3.43 116.94 115.82 2gdt h PHE 20 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 2gdt h PHE 20 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2gdt h PHE 20 CO 0.64 0.21 0.00 0.41 -0.60 0.00 0.00 178.31 178.96 2gdt n GLY 21 N 1.18 2.74 0.00 -1.45 0.00 -1.26 -4.78 105.19 101.62 2gdt n GLY 21 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2gdt n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gdt n ASP 22 N -0.50 0.15 -4.25 1.61 -0.08 -1.26 -4.87 116.55 107.35 2gdt n ASP 22 Ca 0.00 -0.96 -0.14 0.00 -1.51 0.00 0.00 54.79 52.18 2gdt n ASP 22 Cb 0.00 0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.37 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 -0.01 1.77 0.10 1.67 0.01 -1.26 -4.83 113.70 111.16 2gdt s SER 23 Ca 0.00 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 56.01 2gdt s SER 23 Cb 0.00 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.11 2gdt s SER 23 CO 0.00 -0.34 1.71 -0.37 0.41 0.00 0.00 173.24 174.65 2gdt h VAL 24 N 2.78 0.82 0.00 3.43 -1.51 -1.95 -2.44 116.25 117.37 2gdt h VAL 24 Ca -0.37 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.03 2gdt h VAL 24 Cb 1.19 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 2gdt h VAL 24 CO 0.64 0.00 -0.38 -0.33 -1.23 0.00 0.00 177.57 176.27 2gdt h GLU 25 N -0.14 0.00 0.66 5.19 5.08 -1.97 -0.15 114.58 123.26 2gdt h GLU 25 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2gdt h GLU 25 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2gdt h GLU 25 CO -0.06 0.38 -0.33 0.93 -1.00 0.00 0.00 179.01 178.92 2gdt h GLU 26 N 0.00 -0.88 -0.73 2.33 4.39 -1.95 -1.02 114.58 116.73 2gdt h GLU 26 Ca -0.00 0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2gdt h GLU 26 Cb 1.00 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 2gdt h GLU 26 CO 0.05 -0.58 0.48 0.00 -1.16 0.00 0.00 179.01 177.79 2gdt h ALA 27 N -1.54 1.56 -0.67 3.43 0.00 -1.17 -1.02 119.26 119.84 2gdt h ALA 27 Ca -0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2gdt h ALA 27 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2gdt h ALA 27 CO 0.14 0.38 0.13 1.25 0.00 0.00 0.00 179.25 181.15 2gdt h LEU 28 N 0.91 1.04 0.67 0.00 6.46 -1.00 0.73 115.31 124.12 2gdt h LEU 28 Ca 0.28 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 2gdt h LEU 28 Cb 0.02 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 2gdt h LEU 28 CO -0.08 1.03 -0.45 0.28 -0.62 0.00 0.00 178.44 178.60 2gdt h SER 29 N 1.02 -1.16 -0.91 1.25 0.02 0.07 -2.88 113.55 110.96 2gdt h SER 29 Ca 0.21 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 2gdt h SER 29 Cb 0.41 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 2gdt h SER 29 CO 0.01 -0.67 0.55 -0.33 -1.14 0.00 0.00 176.83 175.25 2gdt h GLU 30 N -1.06 0.91 0.01 3.45 4.39 -1.18 -2.39 114.58 118.70 2gdt h GLU 30 Ca -0.08 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.59 2gdt h GLU 30 Cb 0.87 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 2gdt h GLU 30 CO 0.06 0.60 -0.39 0.00 -1.16 0.00 0.00 179.01 178.12 2gdt h ALA 31 N 1.47 -0.61 0.00 3.43 0.00 -0.72 0.43 119.26 123.27 2gdt h ALA 31 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2gdt h ALA 31 Cb 0.34 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gdt h ALA 31 CO -0.23 -0.92 0.02 0.00 0.00 0.00 0.00 179.25 178.12 2gdt h ARG 32 N -0.55 0.00 0.00 0.00 3.08 -1.23 -0.09 114.38 115.59 2gdt h ARG 32 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2gdt h ARG 32 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 2gdt h ARG 32 CO -0.29 0.00 -0.18 0.93 -1.07 0.00 0.00 179.97 179.35 2gdt h GLU 33 N 0.00 0.00 -0.00 0.04 5.08 -0.43 -3.32 114.58 115.95 2gdt h GLU 33 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2gdt h GLU 33 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2gdt h GLU 33 CO 0.00 0.08 -0.23 0.45 -1.00 0.00 0.00 179.01 178.31 2gdt h HIS 34 N -1.00 0.00 0.26 4.33 3.86 0.13 -0.32 115.15 122.41 2gdt h HIS 34 Ca -0.01 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2gdt h HIS 34 Cb 0.24 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2gdt h HIS 34 CO -0.05 0.23 -0.39 -0.07 0.86 0.00 0.00 177.93 178.51 2gdt h LEU 35 N 0.00 -1.10 -0.94 2.43 3.38 -1.22 0.15 115.31 118.01 2gdt h LEU 35 Ca -0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2gdt h LEU 35 Cb 0.40 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2gdt h LEU 35 CO 0.03 -0.47 0.22 0.50 0.09 0.00 0.00 178.44 178.81 2gdt h LYS 36 N -0.68 1.00 0.00 1.13 3.11 -1.56 0.35 116.57 119.92 2gdt h LYS 36 Ca -0.03 -0.19 -0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2gdt h LYS 36 Cb 0.62 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.69 2gdt h LYS 36 CO -0.11 0.84 -0.01 -0.91 -2.81 0.00 0.00 179.45 176.45 2gdt h ASN 37 N 0.97 0.00 0.00 4.20 2.35 -0.89 -3.46 115.58 118.74 2gdt h ASN 37 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2gdt h ASN 37 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2gdt h ASN 37 CO -0.01 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2gdt n GLY 38 N -0.95 0.66 2.03 2.83 0.00 0.11 -4.95 105.19 104.93 2gdt n GLY 38 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.63 2.98 -4.37 2.61 -2.24 0.31 -4.94 114.28 106.00 2gdt n THR 39 Ca 0.00 -3.47 -0.19 0.00 -2.27 0.00 0.00 64.05 58.12 2gdt n THR 39 Cb 0.00 -1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 67.11 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 -3.36 1.73 0.06 0.00 0.00 0.56 -4.34 107.32 101.98 2gdt s GLY 41 Ca 0.28 -1.73 0.05 0.00 0.00 0.00 0.00 44.72 43.32 2gdt s GLY 41 CO 0.10 -1.25 -0.05 -2.27 0.00 0.00 0.00 173.10 169.64 2gdt s LEU 42 N -3.26 3.27 -0.06 0.66 2.96 -0.89 -1.06 118.68 120.31 2gdt s LEU 42 Ca 0.36 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2gdt s LEU 42 Cb 0.02 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 2gdt s LEU 42 CO 0.20 0.22 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.57 2gdt s VAL 43 N -1.17 1.59 0.51 1.68 1.01 -0.01 -2.24 120.40 121.78 2gdt s VAL 43 Ca 0.21 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 2gdt s VAL 43 Cb -0.11 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 2gdt s VAL 43 CO 0.13 0.45 0.93 -1.61 0.00 0.00 0.00 175.10 175.01 2gdt s GLU 44 N 0.12 3.81 -1.04 2.72 2.02 -1.26 -0.81 118.70 124.26 2gdt s GLU 44 Ca -0.07 0.75 -0.16 0.00 0.02 0.00 0.00 54.97 55.51 2gdt s GLU 44 Cb -0.13 -2.20 0.16 0.00 0.10 0.00 0.00 34.13 32.06 2gdt s GLU 44 CO 0.04 -0.28 1.22 -0.51 0.02 0.00 0.00 175.26 175.75 2gdt s LEU 45 N -4.30 5.21 0.72 1.80 1.43 -1.26 -4.84 118.68 117.44 2gdt s LEU 45 Ca 0.56 -2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 51.02 2gdt s LEU 45 Cb -0.10 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2gdt s LEU 45 CO 0.37 -0.88 1.10 -1.61 0.23 0.00 0.00 176.35 175.56 2gdt s GLU 46 N 1.93 2.77 0.35 1.70 2.02 -1.26 -4.96 118.70 121.25 2gdt s GLU 46 Ca 0.36 0.47 0.13 0.00 0.02 0.00 0.00 54.97 55.95 2gdt s GLU 46 Cb -0.05 -2.01 0.98 0.00 0.10 0.00 0.00 34.13 33.15 2gdt s GLU 46 CO -0.06 -1.10 1.73 -0.22 0.02 0.00 0.00 175.26 175.64 2gdt h LYS 47 N -0.70 0.48 -0.27 1.61 1.63 -2.03 -2.24 116.57 115.05 2gdt h LYS 47 Ca -0.45 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2gdt h LYS 47 Cb 1.26 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2gdt h LYS 47 CO 0.63 0.32 0.00 0.41 -3.45 0.00 0.00 179.45 177.36 2gdt n GLY 48 N -1.36 3.32 0.07 5.01 0.00 -1.26 -4.76 105.19 106.20 2gdt n GLY 48 Ca 0.27 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 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 1.66 1.70 -0.67 1.61 2.07 -1.76 -3.35 116.25 117.51 2gdt h VAL 49 Ca 0.00 -2.10 0.11 0.00 0.82 0.00 0.00 66.70 65.53 2gdt h VAL 49 Cb 0.96 3.12 -0.08 0.00 -1.52 0.00 0.00 31.29 33.78 2gdt h VAL 49 CO 0.08 0.55 0.26 -0.07 0.02 0.00 0.00 177.57 178.40 2gdt h LEU 50 N -0.86 0.25 -0.31 2.57 3.38 -1.86 0.18 115.31 118.67 2gdt h LEU 50 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2gdt h LEU 50 Cb 0.91 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2gdt h LEU 50 CO 0.01 0.13 0.00 -0.81 0.09 0.00 0.00 178.44 177.86 2gdt n PRO 51 N -4.99 0.66 0.00 1.13 -0.04 -1.26 -1.84 135.00 128.66 2gdt n PRO 51 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2gdt n PRO 51 Cb 0.32 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.29 2.84 -2.47 0.54 6.02 0.56 -5.08 117.38 119.50 2gdt n GLN 52 Ca 0.00 -0.14 -0.24 0.00 -0.01 0.00 0.00 57.00 56.60 2gdt n GLN 52 Cb 0.05 -0.56 0.11 0.00 1.02 0.00 0.00 30.24 30.87 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 -0.89 2.95 0.00 1.08 2.01 -0.66 -4.99 118.68 118.18 2gdt s LEU 53 Ca 0.00 -0.19 0.00 0.00 0.01 0.00 0.00 54.13 53.95 2gdt s LEU 53 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 46.19 44.04 2gdt s LEU 53 CO 0.00 -1.93 0.00 -1.84 1.01 0.00 0.00 176.35 173.59 2gdt n GLU 54 N -2.95 0.00 0.06 1.70 -0.00 -1.26 -5.01 120.64 113.18 2gdt n GLU 54 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 2gdt n GLU 54 Cb 0.60 -0.19 0.00 0.00 -0.00 0.00 0.00 31.44 31.86 2gdt n GLU 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2gdt n GLN 55 N 0.00 0.00 -2.34 3.44 6.02 -1.26 -5.03 117.38 118.21 2gdt n GLN 55 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 2gdt n GLN 55 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -1.43 3.27 -0.60 -1.09 0.04 -1.26 -3.96 135.00 129.97 2gdt s PRO 56 Ca 0.00 -1.57 -0.28 0.00 0.04 0.00 0.00 61.00 59.20 2gdt s PRO 56 Cb 0.00 -5.39 0.02 0.00 0.04 0.00 0.00 34.50 29.17 2gdt s PRO 56 CO 0.00 -3.07 1.32 0.71 0.04 0.00 0.00 177.00 175.99 2gdt s TYR 57 N 7.48 2.40 -0.82 0.56 2.02 -0.42 -4.68 117.35 123.88 2gdt s TYR 57 Ca 0.61 0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 57.42 2gdt s TYR 57 Cb 0.02 -4.48 -0.02 0.00 -0.40 0.00 0.00 41.96 37.08 2gdt s TYR 57 CO 0.10 -1.85 1.78 0.08 -1.57 0.00 0.00 175.55 174.09 2gdt s VAL 58 N 5.63 3.52 0.56 0.71 1.01 -1.26 -2.63 120.40 127.94 2gdt s VAL 58 Ca 0.46 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2gdt s VAL 58 Cb -0.09 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2gdt s VAL 58 CO 0.23 -1.17 0.92 -0.36 0.00 0.00 0.00 175.10 174.72 2gdt s PHE 59 N 8.61 3.55 -0.25 5.22 0.08 -0.77 -0.92 117.98 133.49 2gdt s PHE 59 Ca 0.62 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.69 2gdt s PHE 59 Cb -0.08 -2.57 0.04 0.00 -0.57 0.00 0.00 43.02 39.85 2gdt s PHE 59 CO 0.06 -0.56 -0.09 0.96 -0.10 0.00 0.00 175.22 175.49 2gdt s ILE 60 N -2.99 2.53 -0.08 0.64 -4.36 -0.88 -1.99 121.20 114.07 2gdt s ILE 60 Ca 0.52 -1.31 -0.02 0.00 -0.26 0.00 0.00 60.65 59.58 2gdt s ILE 60 Cb -0.11 -2.36 -0.03 0.00 1.25 0.00 0.00 42.46 41.21 2gdt s ILE 60 CO 0.49 0.10 0.03 -1.59 0.24 0.00 0.00 174.94 174.22 2gdt s LYS 61 N 1.22 3.05 -0.47 0.37 -2.85 -1.26 -0.99 119.74 118.83 2gdt s LYS 61 Ca -0.04 -0.38 -0.28 0.00 -1.00 0.00 0.00 55.97 54.28 2gdt s LYS 61 Cb -0.18 -2.86 -0.01 0.00 -2.06 0.00 0.00 37.83 32.72 2gdt s LYS 61 CO -0.05 0.71 1.73 -0.98 0.10 0.00 0.00 175.35 176.85 2gdt s ARG 62 N -1.04 3.10 -0.28 1.78 1.70 -0.62 -2.32 118.95 121.26 2gdt s ARG 62 Ca 0.15 0.96 -0.44 0.00 -0.47 0.00 0.00 55.73 55.93 2gdt s ARG 62 Cb -0.12 -4.24 -0.20 0.00 -0.57 0.00 0.00 34.95 29.83 2gdt s ARG 62 CO 0.04 -2.15 1.37 0.43 -1.08 0.00 0.00 175.30 173.91 2gdt n SER 63 N 10.93 0.69 -2.18 -2.89 7.64 -1.05 -4.82 113.62 121.93 2gdt n SER 63 Ca 0.20 1.18 -0.14 0.00 1.01 0.00 0.00 58.87 61.12 2gdt n SER 63 Cb 0.49 -0.90 -0.14 0.00 -1.01 0.00 0.00 64.21 62.65 2gdt n SER 63 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2gdt n ASP 64 N 2.92 5.26 -3.16 6.43 2.03 -1.26 -4.75 116.55 124.02 2gdt n ASP 64 Ca 0.26 -2.43 -0.33 0.00 0.52 0.00 0.00 54.79 52.82 2gdt n ASP 64 Cb 0.00 -1.34 0.03 0.00 -0.72 0.00 0.00 41.12 39.09 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 2.67 -2.11 -1.73 -1.67 0.00 -1.26 -5.00 120.51 111.40 2gdt n ALA 65 Ca 0.44 0.24 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2gdt n ALA 65 Cb 0.78 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.30 0.00 -4.54 0.00 4.32 -1.26 -4.80 117.00 110.42 2gdt n LEU 66 Ca -0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.61 2gdt n LEU 66 Cb 0.58 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.32 2gdt n LEU 66 CO 0.48 0.00 1.53 -1.54 -1.22 0.00 0.00 177.39 176.63 2gdt n SER 67 N 0.00 3.03 -3.87 -1.43 3.41 -1.26 -4.86 113.62 108.64 2gdt n SER 67 Ca 0.00 -2.70 -0.24 0.00 -0.26 0.00 0.00 58.87 55.67 2gdt n SER 67 Cb 0.00 -1.71 -0.08 0.00 -0.26 0.00 0.00 64.21 62.16 2gdt n SER 67 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gdt s THR 68 N 10.90 0.39 0.08 6.66 -1.32 -1.26 -4.96 115.64 126.12 2gdt s THR 68 Ca 0.68 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 2gdt s THR 68 Cb 0.00 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 2gdt s THR 68 CO 0.14 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 173.14 2gdt n ASN 69 N -1.45 0.77 -3.83 8.08 4.13 -1.26 -5.03 115.26 116.67 2gdt n ASN 69 Ca -0.03 0.11 -0.08 0.00 1.68 0.00 0.00 54.58 56.26 2gdt n ASN 69 Cb 0.64 -0.23 -0.03 0.00 -1.54 0.00 0.00 39.78 38.63 2gdt n ASN 69 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 2gdt s HIS 70 N -2.00 -0.12 0.00 3.10 2.46 -1.26 -5.12 115.29 112.35 2gdt s HIS 70 Ca 0.00 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.24 2gdt s HIS 70 Cb 0.00 0.57 0.00 0.00 -0.13 0.00 0.00 32.58 33.02 2gdt s HIS 70 CO 0.00 -1.13 0.00 0.41 -2.47 0.00 0.00 174.74 171.55 2gdt n GLY 71 N -0.43 3.29 3.56 1.59 0.00 -1.26 -4.57 105.19 107.38 2gdt n GLY 71 Ca -0.05 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.17 1.35 -0.47 1.61 3.76 -1.26 -3.91 115.29 115.19 2gdt s HIS 72 Ca 0.00 1.46 -0.18 0.00 -0.15 0.00 0.00 55.06 56.19 2gdt s HIS 72 Cb 0.00 -3.68 0.03 0.00 1.11 0.00 0.00 32.58 30.04 2gdt s HIS 72 CO 0.00 -1.84 0.49 1.63 -0.85 0.00 0.00 174.74 174.17 2gdt n LYS 73 N 8.89 -1.36 -2.18 1.40 5.02 -1.26 -4.08 118.16 124.59 2gdt n LYS 73 Ca 0.41 0.87 -0.37 0.00 -2.02 0.00 0.00 58.31 57.20 2gdt n LYS 73 Cb 0.47 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2gdt n LYS 73 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2gdt s VAL 74 N -1.80 2.93 0.35 -0.18 -7.23 -1.25 -4.28 120.40 108.93 2gdt s VAL 74 Ca 0.17 0.70 0.04 0.00 -1.81 0.00 0.00 61.98 61.09 2gdt s VAL 74 Cb -0.02 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 2gdt s VAL 74 CO 0.68 -0.00 0.17 0.68 -0.31 0.00 0.00 175.10 176.32 2gdt s VAL 75 N -1.49 0.39 0.14 1.32 -7.23 -0.73 -2.53 120.40 110.26 2gdt s VAL 75 Ca 0.64 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 2gdt s VAL 75 Cb -0.31 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2gdt s VAL 75 CO 0.38 0.00 0.08 -1.84 -0.31 0.00 0.00 175.10 173.40 2gdt n GLU 76 N -0.71 0.51 -5.22 4.82 0.28 -0.98 -4.18 120.64 115.15 2gdt n GLU 76 Ca -0.00 -1.25 -0.31 0.00 -0.16 0.00 0.00 57.16 55.44 2gdt n GLU 76 Cb 0.64 0.83 -0.15 0.00 1.43 0.00 0.00 31.44 34.19 2gdt n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2gdt s LEU 77 N 0.00 2.16 0.13 -1.84 1.43 -1.26 -4.00 118.68 115.29 2gdt s LEU 77 Ca 0.11 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 2gdt s LEU 77 Cb 0.01 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2gdt s LEU 77 CO 0.08 0.32 0.19 -0.69 0.23 0.00 0.00 176.35 176.48 2gdt s VAL 78 N -0.64 0.11 0.01 -1.59 1.01 -0.84 -5.01 120.40 113.44 2gdt s VAL 78 Ca 0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2gdt s VAL 78 Cb -0.10 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2gdt s VAL 78 CO -0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 175.10 174.60 2gdt s ALA 79 N -3.95 0.03 -0.23 5.51 0.00 -1.26 -1.85 121.76 120.01 2gdt s ALA 79 Ca 0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 2gdt s ALA 79 Cb 0.05 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.36 2gdt s ALA 79 CO -0.04 -0.11 0.43 -2.00 0.00 0.00 0.00 175.76 174.05 2gdt s GLU 80 N -0.90 0.37 0.33 0.00 -6.30 -1.08 -4.95 118.70 106.17 2gdt s GLU 80 Ca -0.10 0.89 0.25 0.00 -2.50 0.00 0.00 54.97 53.52 2gdt s GLU 80 Cb -0.06 0.11 0.70 0.00 0.00 0.00 0.00 34.13 34.88 2gdt s GLU 80 CO -0.00 -0.41 1.73 0.00 0.02 0.00 0.00 175.26 176.59 2gdt h MET 81 N 8.15 0.00 0.00 4.30 -0.00 -1.89 -1.12 114.93 124.38 2gdt h MET 81 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 2gdt h MET 81 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2gdt h MET 81 CO 0.18 0.00 -0.87 -3.47 -0.00 0.00 0.00 176.91 172.76 2gdt n ASP 82 N -2.65 4.33 -1.14 -0.10 -0.08 -1.26 -4.49 116.55 111.15 2gdt n ASP 82 Ca 0.04 -0.01 -0.05 0.00 -1.51 0.00 0.00 54.79 53.27 2gdt n ASP 82 Cb 0.44 0.88 0.02 0.00 2.34 0.00 0.00 41.12 44.79 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 2.18 0.65 0.29 0.27 0.00 -1.25 -4.97 105.19 102.35 2gdt n GLY 83 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.01 -0.39 -4.29 -0.61 2.08 -1.26 -4.54 119.36 107.34 2gdt n ILE 84 Ca 0.00 1.76 -0.16 0.00 0.56 0.00 0.00 62.75 64.91 2gdt n ILE 84 Cb 0.51 -2.33 -0.05 0.00 -0.75 0.00 0.00 39.64 37.02 2gdt n ILE 84 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2gdt n GLN 85 N -5.12 0.54 0.00 0.38 1.13 -1.26 -4.99 117.38 108.06 2gdt n GLN 85 Ca 0.08 -2.36 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 2gdt n GLN 85 Cb 0.31 1.52 0.00 0.00 0.11 0.00 0.00 30.24 32.18 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 -0.57 0.00 -0.09 1.08 4.01 -1.26 -4.59 117.16 115.74 2gdt n TYR 86 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 2gdt n TYR 86 Cb 0.42 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.05 2.00 2.72 0.00 -1.94 -0.65 103.07 104.15 2gdt h GLY 87 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 47.33 48.04 2gdt h GLY 87 CO 0.00 -0.15 -0.00 -2.13 0.00 0.00 0.00 176.54 174.26 2gdt n ARG 88 N -5.36 0.04 -0.17 4.80 3.00 -1.26 -4.31 116.66 113.40 2gdt n ARG 88 Ca -0.04 0.03 -0.09 0.00 -0.00 0.00 0.00 57.85 57.75 2gdt n ARG 88 Cb 0.35 -1.54 0.05 0.00 0.00 0.00 0.00 32.46 31.32 2gdt n ARG 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2gdt h SER 89 N 0.00 0.97 0.00 6.15 0.87 -1.45 -3.48 113.55 116.62 2gdt h SER 89 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2gdt h SER 89 Cb 0.53 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2gdt h SER 89 CO 0.00 1.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.98 2gdt n GLY 90 N -0.37 2.53 0.34 5.77 0.00 -1.25 -4.93 105.19 107.28 2gdt n GLY 90 Ca 0.02 -0.91 0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 0.04 -3.71 -0.61 2.10 -1.91 -3.43 117.51 109.98 2gdt h ILE 91 Ca 0.00 0.00 -0.65 0.00 1.08 0.00 0.00 64.86 65.29 2gdt h ILE 91 Cb 0.00 0.73 -0.21 0.00 -1.09 0.00 0.00 36.82 36.25 2gdt h ILE 91 CO 0.00 0.00 -0.58 -0.89 -1.08 0.00 0.00 178.15 175.60 2gdt s THR 92 N -4.16 4.67 -0.11 2.19 2.01 -1.26 -1.59 115.64 117.39 2gdt s THR 92 Ca -0.04 -0.15 0.16 0.00 0.31 0.00 0.00 61.69 61.97 2gdt s THR 92 Cb 0.10 -3.25 -0.17 0.00 0.01 0.00 0.00 72.50 69.19 2gdt s THR 92 CO 0.32 0.24 0.74 0.18 -0.69 0.00 0.00 174.62 175.41 2gdt n LEU 93 N 4.98 0.79 0.00 4.42 4.77 -0.16 -4.82 117.00 126.98 2gdt n LEU 93 Ca -0.15 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2gdt n LEU 93 Cb 0.51 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2gdt n LEU 93 CO 0.32 0.21 0.07 0.61 -1.33 0.00 0.00 177.39 177.28 2gdt n GLY 94 N 1.44 0.46 3.29 -0.72 0.00 -1.26 -4.02 105.19 104.39 2gdt n GLY 94 Ca -0.12 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.05 1.92 0.27 1.61 1.01 0.01 -2.07 120.40 121.10 2gdt s VAL 95 Ca 0.02 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2gdt s VAL 95 Cb -0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2gdt s VAL 95 CO -0.00 0.42 0.94 -0.76 0.00 0.00 0.00 175.10 175.70 2gdt s LEU 96 N -0.90 4.55 0.17 3.92 2.01 -0.10 -0.83 118.68 127.50 2gdt s LEU 96 Ca 0.10 1.92 0.02 0.00 0.01 0.00 0.00 54.13 56.17 2gdt s LEU 96 Cb -0.09 -3.74 -0.05 0.00 0.01 0.00 0.00 46.19 42.32 2gdt s LEU 96 CO 0.01 0.09 -0.00 0.68 1.01 0.00 0.00 176.35 178.13 2gdt s VAL 97 N -1.32 0.68 0.47 -1.59 -7.23 -0.22 -4.59 120.40 106.60 2gdt s VAL 97 Ca 0.44 -1.98 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 2gdt s VAL 97 Cb -0.24 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 2gdt s VAL 97 CO 0.29 -0.51 1.23 -2.16 -0.31 0.00 0.00 175.10 173.64 2gdt s PRO 98 N -3.91 3.66 -0.37 4.82 0.05 -1.26 -0.32 135.00 137.67 2gdt s PRO 98 Ca 0.23 1.94 -0.10 0.00 0.05 0.00 0.00 61.00 63.13 2gdt s PRO 98 Cb 0.06 -2.44 0.04 0.00 0.05 0.00 0.00 34.50 32.20 2gdt s PRO 98 CO 0.03 -0.68 0.19 -1.58 0.05 0.00 0.00 177.00 175.01 2gdt s HIS 99 N -1.44 3.26 -0.43 0.56 2.46 -0.93 -4.42 115.29 114.35 2gdt s HIS 99 Ca 0.64 -1.15 -0.01 0.00 0.47 0.00 0.00 55.06 55.01 2gdt s HIS 99 Cb -0.33 -2.45 0.32 0.00 -0.13 0.00 0.00 32.58 29.99 2gdt s HIS 99 CO 0.40 -0.69 1.98 1.33 -2.47 0.00 0.00 174.74 175.28 2gdt n VAL 100 N 4.94 3.03 -0.88 0.89 0.24 -1.26 -4.54 118.33 120.75 2gdt n VAL 100 Ca -0.12 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.15 2gdt n VAL 100 Cb 0.45 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.19 0.14 0.00 7.63 0.00 -1.26 -4.93 105.19 106.57 2gdt n GLY 101 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.49 0.00 -3.04 1.61 4.07 -1.26 -4.81 120.64 116.72 2gdt n GLU 102 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 2gdt n GLU 102 Cb 0.28 -0.43 -0.00 0.00 -0.06 0.00 0.00 31.44 31.22 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2gdt s THR 103 N 0.00 -0.68 0.76 6.31 2.01 -1.26 -5.17 115.64 117.60 2gdt s THR 103 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 2gdt s THR 103 Cb 0.00 -0.04 0.04 0.00 0.01 0.00 0.00 72.50 72.51 2gdt s THR 103 CO 0.00 0.00 1.09 -2.16 -0.69 0.00 0.00 174.62 172.86 2gdt s PRO 104 N 1.96 2.43 -0.02 4.92 0.04 -1.26 -4.51 135.00 138.55 2gdt s PRO 104 Ca 0.16 0.63 0.09 0.00 0.04 0.00 0.00 61.00 61.92 2gdt s PRO 104 Cb -0.01 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.43 2gdt s PRO 104 CO -0.11 -1.38 0.18 0.44 0.04 0.00 0.00 177.00 176.17 2gdt n ILE 105 N -3.27 0.09 -3.77 0.56 -0.00 0.13 -4.97 119.36 108.13 2gdt n ILE 105 Ca 0.07 -0.24 -0.07 0.00 -0.00 0.00 0.00 62.75 62.52 2gdt n ILE 105 Cb 0.56 0.13 0.03 0.00 -0.00 0.00 0.00 39.64 40.36 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 -1.90 -1.90 -3.52 -1.28 0.00 -1.20 -5.02 120.51 105.70 2gdt n ALA 106 Ca -0.04 -1.10 -0.18 0.00 0.00 0.00 0.00 53.44 52.12 2gdt n ALA 106 Cb 0.32 0.81 -0.16 0.00 0.00 0.00 0.00 19.45 20.43 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 0.51 0.23 0.00 1.51 -1.26 -0.04 117.35 115.69 2gdt s TYR 107 Ca 0.17 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.19 2gdt s TYR 107 Cb -0.04 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 2gdt s TYR 107 CO 0.09 -0.13 0.21 0.50 -1.11 0.00 0.00 175.55 175.12 2gdt s ARG 108 N 0.76 3.02 0.02 -0.62 6.06 0.41 -4.93 118.95 123.68 2gdt s ARG 108 Ca -0.09 -0.96 0.02 0.00 -2.50 0.00 0.00 55.73 52.20 2gdt s ARG 108 Cb -0.12 -2.64 -0.02 0.00 0.06 0.00 0.00 34.95 32.23 2gdt s ARG 108 CO -0.01 0.43 -0.06 0.54 -2.50 0.00 0.00 175.30 173.70 2gdt s ASN 109 N -3.70 0.68 0.29 -2.12 2.20 -1.26 -0.82 114.94 110.21 2gdt s ASN 109 Ca 0.33 -0.37 -0.08 0.00 -0.94 0.00 0.00 52.86 51.80 2gdt s ASN 109 Cb -0.09 0.01 -0.00 0.00 -2.00 0.00 0.00 41.25 39.17 2gdt s ASN 109 CO 0.25 -0.11 0.47 0.68 -2.94 0.00 0.00 177.10 175.45 2gdt s VAL 110 N -0.90 0.00 0.30 3.54 -7.23 -0.39 -4.99 120.40 110.73 2gdt s VAL 110 Ca -0.06 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 58.68 2gdt s VAL 110 Cb -0.07 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2gdt s VAL 110 CO 0.00 0.00 0.06 -0.76 -0.31 0.00 0.00 175.10 174.09 2gdt s LEU 111 N -3.13 3.24 -0.15 1.32 2.01 -1.26 -0.74 118.68 119.98 2gdt s LEU 111 Ca 0.27 -0.70 0.01 0.00 0.01 0.00 0.00 54.13 53.72 2gdt s LEU 111 Cb -0.00 -1.73 0.02 0.00 0.01 0.00 0.00 46.19 44.49 2gdt s LEU 111 CO 0.14 -0.13 -0.16 -0.22 1.01 0.00 0.00 176.35 176.99 2gdt s LEU 112 N -3.75 1.82 0.00 1.79 1.98 0.69 -1.78 118.68 119.43 2gdt s LEU 112 Ca 0.34 -0.52 -0.31 0.00 -2.89 0.00 0.00 54.13 50.75 2gdt s LEU 112 Cb -0.05 -1.25 -0.10 0.00 0.66 0.00 0.00 46.19 45.46 2gdt s LEU 112 CO 0.21 -0.02 1.94 -1.14 -1.89 0.00 0.00 176.35 175.45 2gdt n ARG 113 N 4.57 2.66 -1.48 1.98 0.63 -1.26 -0.95 116.66 122.80 2gdt n ARG 113 Ca -0.18 0.97 -0.29 0.00 -0.92 0.00 0.00 57.85 57.43 2gdt n ARG 113 Cb 0.50 -2.89 0.17 0.00 0.45 0.00 0.00 32.46 30.69 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2gdt s LYS 114 N 4.26 0.50 0.00 -0.14 1.02 -1.26 -4.93 119.74 119.20 2gdt s LYS 114 Ca 0.90 0.11 0.11 0.00 0.02 0.00 0.00 55.97 57.11 2gdt s LYS 114 Cb -0.52 -1.78 0.09 0.00 -0.52 0.00 0.00 37.83 35.11 2gdt s LYS 114 CO 0.45 -2.59 0.86 0.09 -0.92 0.00 0.00 175.35 173.24 2gdt n ASN 115 N -4.00 1.96 0.00 2.83 3.02 -1.26 -5.11 115.26 112.70 2gdt n ASN 115 Ca 0.09 -1.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2gdt n ASN 115 Cb 0.59 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25