#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 3.45 0.22 1.61 4.02 -1.26 -4.70 115.29 118.63 2gdt s HIS 2 Ca 0.00 1.35 -0.14 0.00 1.02 0.00 0.00 55.06 57.29 2gdt s HIS 2 Cb 0.00 -2.78 -0.08 0.00 -1.02 0.00 0.00 32.58 28.70 2gdt s HIS 2 CO 0.00 -0.81 0.62 0.08 1.02 0.00 0.00 174.74 175.65 2gdt s VAL 3 N -3.05 4.78 -0.11 -0.90 1.01 -0.07 -4.89 120.40 117.18 2gdt s VAL 3 Ca 0.57 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.33 2gdt s VAL 3 Cb -0.12 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2gdt s VAL 3 CO 0.51 0.06 0.13 -1.58 0.00 0.00 0.00 175.10 174.22 2gdt s GLN 4 N -2.41 3.40 0.06 2.72 0.74 -1.26 -0.15 119.66 122.75 2gdt s GLN 4 Ca 0.45 -0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.70 2gdt s GLN 4 Cb -0.13 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 2gdt s GLN 4 CO 0.20 0.76 -0.07 -0.51 -0.55 0.00 0.00 175.29 175.12 2gdt s LEU 5 N -1.10 2.34 0.25 3.68 1.43 -0.41 -4.90 118.68 119.97 2gdt s LEU 5 Ca 0.16 -0.70 0.11 0.00 -1.03 0.00 0.00 54.13 52.67 2gdt s LEU 5 Cb -0.12 -0.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.95 2gdt s LEU 5 CO 0.05 -0.30 -0.18 -0.44 0.23 0.00 0.00 176.35 175.71 2gdt s SER 6 N -2.07 3.71 -0.01 2.29 0.01 -1.26 -1.24 113.70 115.14 2gdt s SER 6 Ca -0.03 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 56.28 2gdt s SER 6 Cb -0.05 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.80 2gdt s SER 6 CO -0.02 0.06 0.07 -0.76 0.41 0.00 0.00 173.24 173.00 2gdt s LEU 7 N -3.28 1.81 0.33 2.44 1.43 -0.28 -4.96 118.68 116.17 2gdt s LEU 7 Ca 0.28 -0.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 2gdt s LEU 7 Cb -0.06 0.35 -0.10 0.00 0.03 0.00 0.00 46.19 46.41 2gdt s LEU 7 CO 0.14 -0.21 1.19 -2.16 0.23 0.00 0.00 176.35 175.54 2gdt s PRO 8 N -0.84 4.38 -0.16 1.29 0.04 -1.26 -0.82 135.00 137.63 2gdt s PRO 8 Ca -0.09 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 2gdt s PRO 8 Cb -0.06 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 2gdt s PRO 8 CO 0.00 -0.07 0.48 0.08 0.04 0.00 0.00 177.00 177.53 2gdt s VAL 9 N -1.22 5.16 0.06 -0.36 1.01 0.73 -0.45 120.40 125.33 2gdt s VAL 9 Ca 0.49 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.48 2gdt s VAL 9 Cb -0.34 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2gdt s VAL 9 CO 0.45 0.27 -0.22 -0.76 0.00 0.00 0.00 175.10 174.83 2gdt s LEU 10 N 1.04 2.20 0.26 3.92 1.43 -0.43 -1.10 118.68 126.00 2gdt s LEU 10 Ca 0.24 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 2gdt s LEU 10 Cb -0.15 -1.03 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 2gdt s LEU 10 CO 0.10 0.16 1.16 -1.10 0.23 0.00 0.00 176.35 176.90 2gdt s GLN 11 N -1.37 4.55 0.56 1.70 -0.21 -1.26 -4.53 119.66 119.10 2gdt s GLN 11 Ca 0.08 1.89 0.29 0.00 0.02 0.00 0.00 55.36 57.64 2gdt s GLN 11 Cb -0.09 -3.19 1.66 0.00 1.00 0.00 0.00 33.01 32.38 2gdt s GLN 11 CO 0.03 0.06 2.18 -0.24 -2.12 0.00 0.00 175.29 175.19 2gdt h VAL 12 N 3.31 0.55 -0.15 1.09 3.04 -1.94 -0.09 116.25 122.06 2gdt h VAL 12 Ca -0.46 -0.24 -0.20 0.00 -1.01 0.00 0.00 66.70 64.79 2gdt h VAL 12 Cb 1.21 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2gdt h VAL 12 CO 0.69 0.05 -0.71 0.08 -1.01 0.00 0.00 177.57 176.67 2gdt h ARG 13 N 0.00 0.65 -0.21 4.17 0.11 -2.00 -3.28 114.38 113.83 2gdt h ARG 13 Ca -0.00 -0.51 -0.08 0.00 0.10 0.00 0.00 59.98 59.49 2gdt h ARG 13 Cb 0.15 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 2gdt h ARG 13 CO 0.01 1.12 -0.19 -0.44 0.10 0.00 0.00 179.97 180.57 2gdt h ASP 14 N 0.46 0.52 0.00 0.08 3.32 -1.41 -3.35 116.42 116.04 2gdt h ASP 14 Ca -0.03 -0.47 -0.28 0.00 0.02 0.00 0.00 57.03 56.26 2gdt h ASP 14 Cb 1.31 -0.15 0.07 0.00 0.22 0.00 0.00 39.33 40.79 2gdt h ASP 14 CO 0.14 0.89 1.05 0.52 -1.72 0.00 0.00 179.24 180.12 2gdt n VAL 15 N -4.45 0.00 -0.16 -1.35 0.31 -0.70 -4.82 118.33 107.16 2gdt n VAL 15 Ca -0.05 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.34 2gdt n VAL 15 Cb 0.40 -1.48 0.20 0.00 -0.91 0.00 0.00 33.84 32.05 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 6.59 0.05 -3.98 7.52 4.77 -1.26 -4.17 117.00 126.52 2gdt n LEU 16 Ca 0.23 0.80 -0.31 0.00 -0.03 0.00 0.00 56.01 56.69 2gdt n LEU 16 Cb 0.23 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.83 2gdt n LEU 16 CO 0.78 -0.85 -0.43 -0.69 -1.33 0.00 0.00 177.39 174.87 2gdt s VAL 17 N -5.03 1.75 -0.17 4.08 1.01 -1.26 -4.99 120.40 115.79 2gdt s VAL 17 Ca -0.05 -1.42 0.17 0.00 0.00 0.00 0.00 61.98 60.68 2gdt s VAL 17 Cb 0.15 -1.99 0.43 0.00 0.00 0.00 0.00 36.38 34.97 2gdt s VAL 17 CO 0.37 -0.12 1.31 0.54 0.00 0.00 0.00 175.10 177.19 2gdt n ARG 18 N 4.58 2.12 -3.83 2.72 3.00 -1.26 -4.51 116.66 119.48 2gdt n ARG 18 Ca -0.11 -2.79 -0.30 0.00 -0.01 0.00 0.00 57.85 54.63 2gdt n ARG 18 Cb 0.43 -1.70 -0.15 0.00 0.00 0.00 0.00 32.46 31.05 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2gdt s GLY 19 N -2.42 1.43 0.56 -0.13 0.00 -1.26 -4.25 107.32 101.25 2gdt s GLY 19 Ca 0.38 -2.06 0.29 0.00 0.00 0.00 0.00 44.72 43.34 2gdt s GLY 19 CO 0.05 1.38 1.90 0.74 0.00 0.00 0.00 173.10 177.17 2gdt h PHE 20 N 7.79 0.00 0.00 1.90 0.04 -1.89 -3.45 116.94 121.32 2gdt h PHE 20 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2gdt h PHE 20 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2gdt h PHE 20 CO 0.40 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.52 2gdt n GLY 21 N -1.62 3.05 0.00 -1.45 0.00 -1.26 -4.80 105.19 99.11 2gdt n GLY 21 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.93 -4.39 1.61 -0.08 -1.26 -4.89 116.55 110.47 2gdt n ASP 22 Ca 0.00 -0.18 -0.19 0.00 -1.51 0.00 0.00 54.79 52.91 2gdt n ASP 22 Cb 0.00 0.94 -0.10 0.00 2.34 0.00 0.00 41.12 44.30 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 -1.53 1.96 0.03 1.67 0.01 -1.26 -4.68 113.70 109.91 2gdt s SER 23 Ca 0.00 -1.34 -0.26 0.00 1.31 0.00 0.00 55.95 55.65 2gdt s SER 23 Cb 0.00 -0.00 -0.17 0.00 0.21 0.00 0.00 66.02 66.06 2gdt s SER 23 CO 0.00 -0.61 1.40 0.58 0.41 0.00 0.00 173.24 175.02 2gdt h VAL 24 N 2.26 0.70 0.00 3.43 2.07 -1.93 -1.96 116.25 120.83 2gdt h VAL 24 Ca -0.40 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2gdt h VAL 24 Cb 1.24 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2gdt h VAL 24 CO 0.66 0.08 -0.18 -0.33 0.02 0.00 0.00 177.57 177.82 2gdt h GLU 25 N -0.65 0.00 0.35 1.57 5.08 -1.98 -1.04 114.58 117.91 2gdt h GLU 25 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2gdt h GLU 25 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2gdt h GLU 25 CO 0.07 0.18 -0.17 0.93 -1.00 0.00 0.00 179.01 179.03 2gdt h GLU 26 N 0.00 -0.45 -0.89 2.33 4.39 -1.94 -2.64 114.58 115.38 2gdt h GLU 26 Ca -0.00 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.79 2gdt h GLU 26 Cb 0.53 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2gdt h GLU 26 CO 0.02 -0.30 0.56 0.00 -1.16 0.00 0.00 179.01 178.13 2gdt h ALA 27 N -1.78 1.22 -0.68 3.43 0.00 -0.97 -0.85 119.26 119.63 2gdt h ALA 27 Ca -0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gdt h ALA 27 Cb 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2gdt h ALA 27 CO 0.08 0.33 0.43 1.25 0.00 0.00 0.00 179.25 181.34 2gdt h LEU 28 N 1.03 0.73 -0.21 0.00 6.46 -1.29 0.16 115.31 122.18 2gdt h LEU 28 Ca 0.38 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.11 2gdt h LEU 28 Cb 0.15 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 2gdt h LEU 28 CO -0.17 0.52 0.06 -1.28 -0.62 0.00 0.00 178.44 176.95 2gdt h SER 29 N 0.87 0.32 -0.54 1.25 0.87 -0.88 -2.56 113.55 112.87 2gdt h SER 29 Ca 0.26 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2gdt h SER 29 Cb -0.04 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2gdt h SER 29 CO -0.08 0.46 0.02 -0.33 -0.53 0.00 0.00 176.83 176.36 2gdt h GLU 30 N 0.17 0.94 -0.05 2.24 4.39 -0.97 -2.55 114.58 118.76 2gdt h GLU 30 Ca 0.07 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2gdt h GLU 30 Cb 0.26 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2gdt h GLU 30 CO -0.00 0.95 -0.15 0.00 -1.16 0.00 0.00 179.01 178.65 2gdt h ALA 31 N 0.96 -0.14 -0.94 3.43 0.00 -0.59 0.37 119.26 122.35 2gdt h ALA 31 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2gdt h ALA 31 Cb 0.51 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2gdt h ALA 31 CO 0.02 -0.63 0.61 0.07 0.00 0.00 0.00 179.25 179.32 2gdt h ARG 32 N -0.23 1.06 -0.20 0.00 0.11 -1.41 0.12 114.38 113.82 2gdt h ARG 32 Ca 0.07 -0.06 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 2gdt h ARG 32 Cb 0.32 -0.24 -0.00 0.00 1.11 0.00 0.00 29.97 31.16 2gdt h ARG 32 CO -0.18 0.70 -0.33 1.49 0.10 0.00 0.00 179.97 181.76 2gdt h GLU 33 N 1.09 0.58 -0.35 0.08 4.81 -0.84 -1.32 114.58 118.63 2gdt h GLU 33 Ca 0.40 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2gdt h GLU 33 Cb 0.16 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2gdt h GLU 33 CO -0.15 0.96 -0.31 0.45 -0.73 0.00 0.00 179.01 179.23 2gdt h HIS 34 N 0.26 0.88 0.00 0.92 3.86 0.09 -0.02 115.15 121.14 2gdt h HIS 34 Ca 0.02 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 2gdt h HIS 34 Cb 0.91 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2gdt h HIS 34 CO 0.09 0.97 -0.23 -0.07 0.86 0.00 0.00 177.93 179.54 2gdt h LEU 35 N 0.64 0.00 -0.04 2.43 3.38 -0.71 0.30 115.31 121.31 2gdt h LEU 35 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2gdt h LEU 35 Cb 0.84 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2gdt h LEU 35 CO 0.07 0.23 -0.32 0.50 0.09 0.00 0.00 178.44 179.02 2gdt h LYS 36 N 0.00 0.28 0.00 1.13 3.64 -0.68 -3.26 116.57 117.68 2gdt h LYS 36 Ca -0.00 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 2gdt h LYS 36 Cb 0.42 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2gdt h LYS 36 CO 0.03 0.92 -0.17 -0.91 -2.27 0.00 0.00 179.45 177.05 2gdt h ASN 37 N -0.27 0.00 0.00 4.20 2.35 -0.68 -3.47 115.58 117.71 2gdt h ASN 37 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2gdt h ASN 37 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2gdt h ASN 37 CO 0.06 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.63 2gdt n GLY 38 N -0.87 0.75 2.06 2.83 0.00 0.86 -4.98 105.19 105.84 2gdt n GLY 38 Ca -0.02 0.00 -0.24 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 -2.31 3.10 -4.32 2.61 -2.24 -0.07 -4.89 114.28 106.16 2gdt n THR 39 Ca 0.00 -2.13 -0.22 0.00 -2.27 0.00 0.00 64.05 59.43 2gdt n THR 39 Cb 0.00 -1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 66.89 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 -2.51 2.26 0.12 0.00 0.00 0.49 -4.30 107.32 103.38 2gdt s GLY 41 Ca 0.14 -2.05 0.08 0.00 0.00 0.00 0.00 44.72 42.89 2gdt s GLY 41 CO 0.06 -1.46 -0.20 -2.27 0.00 0.00 0.00 173.10 169.22 2gdt s LEU 42 N -3.36 2.33 -0.07 0.66 2.96 0.40 -1.44 118.68 120.17 2gdt s LEU 42 Ca 0.41 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2gdt s LEU 42 Cb 0.03 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.88 2gdt s LEU 42 CO 0.27 0.03 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.60 2gdt s VAL 43 N -1.37 0.58 0.74 1.68 1.01 -0.36 -1.32 120.40 121.36 2gdt s VAL 43 Ca 0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2gdt s VAL 43 Cb -0.09 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2gdt s VAL 43 CO 0.05 0.26 1.08 -1.61 0.00 0.00 0.00 175.10 174.88 2gdt s GLU 44 N 1.41 2.54 -0.15 2.72 2.02 -1.26 -0.72 118.70 125.26 2gdt s GLU 44 Ca -0.03 0.94 -0.20 0.00 0.02 0.00 0.00 54.97 55.71 2gdt s GLU 44 Cb -0.13 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 2gdt s GLU 44 CO -0.03 -1.38 0.57 -0.51 0.02 0.00 0.00 175.26 173.93 2gdt s LEU 45 N -5.71 4.21 0.17 1.80 1.43 -1.15 -4.76 118.68 114.67 2gdt s LEU 45 Ca 0.59 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2gdt s LEU 45 Cb -0.15 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2gdt s LEU 45 CO 0.55 -0.15 0.09 -1.61 0.23 0.00 0.00 176.35 175.47 2gdt s GLU 46 N 1.29 1.09 0.13 1.70 2.02 -1.26 -5.00 118.70 118.67 2gdt s GLU 46 Ca 0.28 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 2gdt s GLU 46 Cb -0.16 0.21 -0.08 0.00 0.10 0.00 0.00 34.13 34.20 2gdt s GLU 46 CO 0.11 -0.32 1.49 -0.22 0.02 0.00 0.00 175.26 176.35 2gdt h LYS 47 N 2.72 -0.19 -0.65 1.61 3.64 -2.03 -2.39 116.57 119.27 2gdt h LYS 47 Ca -0.36 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2gdt h LYS 47 Cb 1.23 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2gdt h LYS 47 CO 0.56 -0.13 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 2gdt n GLY 48 N -1.29 2.10 0.12 5.01 0.00 -1.26 -4.48 105.19 105.39 2gdt n GLY 48 Ca -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 2.69 0.76 -0.49 1.61 2.07 -1.82 -3.38 116.25 117.69 2gdt h VAL 49 Ca 0.00 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.36 2gdt h VAL 49 Cb 1.21 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.23 2gdt h VAL 49 CO 0.22 0.22 -0.27 -0.07 0.02 0.00 0.00 177.57 177.70 2gdt h LEU 50 N -0.94 -0.92 -3.49 2.57 3.38 -1.79 -3.02 115.31 111.11 2gdt h LEU 50 Ca -0.02 0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.99 2gdt h LEU 50 Cb 0.49 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2gdt h LEU 50 CO 0.03 -0.28 0.01 -0.81 0.09 0.00 0.00 178.44 177.48 2gdt n PRO 51 N -5.42 1.54 0.00 1.13 -0.04 -1.26 -1.35 135.00 129.60 2gdt n PRO 51 Ca 0.03 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 2gdt n PRO 51 Cb 0.33 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.49 5.80 -1.89 0.54 6.02 -1.14 -5.10 117.38 123.11 2gdt n GLN 52 Ca 0.21 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.91 2gdt n GLN 52 Cb 0.63 -0.48 0.20 0.00 1.02 0.00 0.00 30.24 31.61 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 0.00 2.63 0.00 1.08 1.43 -0.46 -4.95 118.68 118.40 2gdt s LEU 53 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2gdt s LEU 53 Cb 0.00 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2gdt s LEU 53 CO 0.00 -2.93 0.00 -0.62 0.23 0.00 0.00 176.35 173.03 2gdt n GLU 54 N -3.89 0.00 0.11 1.70 -0.58 -1.26 -5.04 120.64 111.69 2gdt n GLU 54 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2gdt n GLU 54 Cb 0.59 -0.04 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 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 -1.99 3.49 1.13 -1.26 -5.00 117.38 113.75 2gdt n GLN 55 Ca 0.00 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 2gdt n GLN 55 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 2gdt n GLN 55 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2gdt s PRO 56 N -2.00 2.39 -0.41 -1.09 0.02 -1.26 -4.10 135.00 128.55 2gdt s PRO 56 Ca 0.00 -0.52 -0.29 0.00 0.02 0.00 0.00 61.00 60.21 2gdt s PRO 56 Cb 0.00 -5.10 0.02 0.00 0.02 0.00 0.00 34.50 29.45 2gdt s PRO 56 CO 0.00 -3.77 1.15 0.71 -0.33 0.00 0.00 177.00 174.75 2gdt s TYR 57 N 11.12 2.89 -0.94 6.54 2.02 -0.74 -4.69 117.35 133.55 2gdt s TYR 57 Ca 0.72 0.88 -0.24 0.00 -0.37 0.00 0.00 57.07 58.05 2gdt s TYR 57 Cb -0.05 -4.16 0.01 0.00 -0.40 0.00 0.00 41.96 37.36 2gdt s TYR 57 CO 0.05 -1.18 1.63 0.08 -1.57 0.00 0.00 175.55 174.57 2gdt s VAL 58 N 4.26 3.71 0.80 0.71 1.01 -1.26 -1.99 120.40 127.63 2gdt s VAL 58 Ca 0.48 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 2gdt s VAL 58 Cb -0.10 -4.62 0.07 0.00 0.00 0.00 0.00 36.38 31.73 2gdt s VAL 58 CO 0.26 -1.53 1.15 -0.36 0.00 0.00 0.00 175.10 174.62 2gdt s PHE 59 N 7.03 2.97 -0.07 5.22 0.08 -0.81 -0.56 117.98 131.84 2gdt s PHE 59 Ca 0.55 0.85 -0.00 0.00 0.12 0.00 0.00 56.93 58.45 2gdt s PHE 59 Cb -0.04 -3.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 2gdt s PHE 59 CO -0.04 -1.73 -0.04 0.96 -0.10 0.00 0.00 175.22 174.28 2gdt s ILE 60 N -3.47 0.62 0.13 0.64 -4.36 -0.90 -1.69 121.20 112.18 2gdt s ILE 60 Ca 0.61 -0.09 0.11 0.00 -0.26 0.00 0.00 60.65 61.02 2gdt s ILE 60 Cb -0.12 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.87 2gdt s ILE 60 CO 0.50 0.28 -0.24 -1.59 0.24 0.00 0.00 174.94 174.13 2gdt s LYS 61 N 1.47 1.51 -0.88 0.37 -2.85 -1.25 -0.89 119.74 117.21 2gdt s LYS 61 Ca -0.02 -1.33 -0.16 0.00 -1.00 0.00 0.00 55.97 53.47 2gdt s LYS 61 Cb -0.13 -1.95 -0.11 0.00 -2.06 0.00 0.00 37.83 33.58 2gdt s LYS 61 CO -0.03 0.45 2.02 2.89 0.10 0.00 0.00 175.35 180.78 2gdt n ARG 62 N 0.81 1.82 0.00 1.78 1.85 -0.89 -1.16 116.66 120.87 2gdt n ARG 62 Ca -0.17 -1.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 2gdt n ARG 62 Cb 0.53 -2.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.16 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 6.20 0.00 0.18 2.89 2.88 -1.25 -4.51 113.62 120.01 2gdt n SER 63 Ca 0.48 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2gdt n SER 63 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 5.03 -2.21 -4.58 -3.46 -0.08 -1.26 -4.85 116.55 105.14 2gdt n ASP 64 Ca 0.00 0.67 -0.43 0.00 -1.51 0.00 0.00 54.79 53.52 2gdt n ASP 64 Cb 0.00 2.17 -0.04 0.00 2.34 0.00 0.00 41.12 45.59 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 -2.00 3.35 0.29 -1.67 0.00 -1.26 -5.02 121.76 115.46 2gdt s ALA 65 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2gdt s ALA 65 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2gdt s ALA 65 CO 0.00 -1.73 0.13 -0.51 0.00 0.00 0.00 175.76 173.65 2gdt s LEU 66 N 3.43 1.67 0.15 0.00 1.43 -1.26 -5.12 118.68 118.99 2gdt s LEU 66 Ca 0.35 -1.50 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 2gdt s LEU 66 Cb -0.12 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.17 2gdt s LEU 66 CO 0.21 -0.83 -0.08 -0.55 0.23 0.00 0.00 176.35 175.32 2gdt s SER 67 N -3.36 1.69 0.00 2.29 0.15 -1.26 -5.04 113.70 108.17 2gdt s SER 67 Ca 0.36 -1.04 0.19 0.00 0.70 0.00 0.00 55.95 56.16 2gdt s SER 67 Cb 0.06 0.01 0.94 0.00 -1.71 0.00 0.00 66.02 65.32 2gdt s SER 67 CO 0.16 -0.37 1.63 0.41 1.20 0.00 0.00 173.24 176.27 2gdt n THR 68 N -0.20 0.08 -0.73 6.45 -1.04 -1.26 -4.45 114.28 113.13 2gdt n THR 68 Ca -0.10 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 2gdt n THR 68 Cb 0.61 -0.04 -0.02 0.00 -1.82 0.00 0.00 70.33 69.06 2gdt n THR 68 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2gdt n ASN 69 N -0.37 4.41 -3.63 8.00 5.15 -1.26 -4.41 115.26 123.16 2gdt n ASN 69 Ca 0.14 -2.34 -0.26 0.00 -0.60 0.00 0.00 54.58 51.52 2gdt n ASN 69 Cb 0.16 -1.06 0.01 0.00 -0.53 0.00 0.00 39.78 38.36 2gdt n ASN 69 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2gdt n HIS 70 N 4.57 -2.35 -4.24 1.20 -0.00 -1.26 -5.03 115.22 108.11 2gdt n HIS 70 Ca 0.42 0.96 -0.14 0.00 -0.00 0.00 0.00 57.72 58.97 2gdt n HIS 70 Cb 0.15 -2.63 -0.10 0.00 -0.00 0.00 0.00 29.99 27.41 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 -2.54 1.07 0.42 1.57 0.00 -1.26 -5.16 107.32 101.42 2gdt s GLY 71 Ca 0.12 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.26 2gdt s GLY 71 CO 0.88 -1.56 0.74 0.30 0.00 0.00 0.00 173.10 173.46 2gdt s HIS 72 N -3.46 3.51 -0.77 1.90 3.76 -1.26 -4.99 115.29 113.98 2gdt s HIS 72 Ca 0.18 0.88 -0.26 0.00 -0.15 0.00 0.00 55.06 55.71 2gdt s HIS 72 Cb 0.04 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 2gdt s HIS 72 CO 0.01 -0.13 1.71 0.15 -0.85 0.00 0.00 174.74 175.63 2gdt s LYS 73 N -4.17 2.85 0.92 1.40 1.02 -1.26 -5.00 119.74 115.49 2gdt s LYS 73 Ca 0.48 -0.04 -0.12 0.00 0.02 0.00 0.00 55.97 56.32 2gdt s LYS 73 Cb -0.10 -4.66 0.14 0.00 -0.52 0.00 0.00 37.83 32.69 2gdt s LYS 73 CO 0.37 -2.72 1.09 0.14 -0.92 0.00 0.00 175.35 173.31 2gdt s VAL 74 N 8.13 2.53 0.37 3.17 -7.23 -1.26 -3.13 120.40 122.98 2gdt s VAL 74 Ca 0.59 0.17 0.05 0.00 -1.81 0.00 0.00 61.98 60.98 2gdt s VAL 74 Cb -0.08 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2gdt s VAL 74 CO 0.10 -0.22 0.19 1.33 -0.31 0.00 0.00 175.10 176.18 2gdt n VAL 75 N -3.95 0.00 -4.09 1.32 0.24 -0.02 -3.80 118.33 108.04 2gdt n VAL 75 Ca 0.07 -2.34 -0.04 0.00 -2.04 0.00 0.00 64.34 59.98 2gdt n VAL 75 Cb 0.56 0.96 -0.01 0.00 -1.47 0.00 0.00 33.84 33.88 2gdt n VAL 75 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2gdt n GLU 76 N -0.80 1.11 -3.78 7.34 0.28 -0.31 -4.01 120.64 120.48 2gdt n GLU 76 Ca -0.01 -0.54 -0.32 0.00 -0.16 0.00 0.00 57.16 56.14 2gdt n GLU 76 Cb 0.60 0.25 -0.04 0.00 1.43 0.00 0.00 31.44 33.67 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 4.31 0.21 -1.84 1.43 -1.26 -3.92 118.68 117.61 2gdt s LEU 77 Ca 0.02 0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 2gdt s LEU 77 Cb 0.00 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 2gdt s LEU 77 CO 0.02 0.12 0.30 -0.69 0.23 0.00 0.00 176.35 176.33 2gdt s VAL 78 N -1.56 0.01 -0.29 -1.59 1.01 -0.68 -4.93 120.40 112.38 2gdt s VAL 78 Ca 0.37 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 2gdt s VAL 78 Cb -0.13 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.12 2gdt s VAL 78 CO 0.25 -0.07 0.73 0.00 0.00 0.00 0.00 175.10 176.01 2gdt s ALA 79 N -4.06 -2.03 -0.08 5.51 0.00 -1.26 -1.93 121.76 117.91 2gdt s ALA 79 Ca 0.28 2.36 -0.03 0.00 0.00 0.00 0.00 51.96 54.56 2gdt s ALA 79 Cb 0.03 -1.61 0.04 0.00 0.00 0.00 0.00 23.12 21.58 2gdt s ALA 79 CO 0.08 -0.59 0.06 -1.21 0.00 0.00 0.00 175.76 174.11 2gdt s GLU 80 N 2.06 0.03 0.00 0.00 8.01 -0.84 -4.91 118.70 123.04 2gdt s GLU 80 Ca -0.08 0.21 0.12 0.00 0.01 0.00 0.00 54.97 55.23 2gdt s GLU 80 Cb -0.07 -0.95 0.69 0.00 -4.31 0.00 0.00 34.13 29.49 2gdt s GLU 80 CO -0.19 -0.43 1.21 0.00 0.01 0.00 0.00 175.26 175.86 2gdt n MET 81 N 5.28 0.68 0.00 1.61 0.00 -1.26 -1.79 117.12 121.64 2gdt n MET 81 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2gdt n MET 81 Cb 0.50 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.45 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 -0.77 0.00 -3.77 3.17 -0.08 -1.26 -4.59 116.55 109.26 2gdt n ASP 82 Ca 0.09 -1.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.08 2gdt n ASP 82 Cb 0.04 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 0.00 -0.48 0.27 0.27 0.00 -1.07 -4.91 105.19 99.27 2gdt n GLY 83 Ca 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.36 -0.44 -4.52 -0.61 5.41 -1.26 -4.49 119.36 109.09 2gdt n ILE 84 Ca 0.03 2.01 -0.26 0.00 1.00 0.00 0.00 62.75 65.53 2gdt n ILE 84 Cb 0.52 -2.53 -0.08 0.00 -0.71 0.00 0.00 39.64 36.85 2gdt n ILE 84 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2gdt s GLN 85 N -4.68 1.99 0.00 0.38 -1.52 -1.26 -4.93 119.66 109.64 2gdt s GLN 85 Ca -0.08 -2.23 0.00 0.00 -1.95 0.00 0.00 55.36 51.10 2gdt s GLN 85 Cb 0.07 -0.54 0.00 0.00 -0.22 0.00 0.00 33.01 32.32 2gdt s GLN 85 CO 0.40 -0.54 0.00 0.66 -0.25 0.00 0.00 175.29 175.56 2gdt n TYR 86 N -0.95 0.00 -1.50 0.91 4.01 -1.26 -4.94 117.16 113.43 2gdt n TYR 86 Ca -0.06 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.18 2gdt n TYR 86 Cb 0.64 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.63 2gdt n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gdt n GLY 87 N 0.00 -0.67 4.32 2.72 0.00 -1.26 -2.10 105.19 108.20 2gdt n GLY 87 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2gdt n GLY 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gdt n ARG 88 N 1.31 0.00 -1.57 1.61 0.00 -1.26 -4.94 116.66 111.82 2gdt n ARG 88 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.72 2gdt n ARG 88 Cb 0.22 -3.90 0.19 0.00 0.00 0.00 0.00 32.46 28.96 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 -2.22 2.59 0.00 6.15 0.15 -0.89 -4.92 113.70 114.56 2gdt s SER 89 Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2gdt s SER 89 Cb 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2gdt s SER 89 CO 0.00 -3.08 1.07 0.61 1.20 0.00 0.00 173.24 173.04 2gdt n GLY 90 N -2.48 1.72 0.00 9.45 0.00 -1.26 -2.96 105.19 109.67 2gdt n GLY 90 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2gdt n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gdt n ILE 91 N 1.03 0.00 -2.97 -0.61 3.06 -1.26 -5.06 119.36 113.56 2gdt n ILE 91 Ca 0.00 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 59.91 2gdt n ILE 91 Cb 0.38 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.49 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 -1.00 4.49 -0.15 9.51 2.01 -1.15 -2.10 115.64 127.25 2gdt s THR 92 Ca 0.00 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 2gdt s THR 92 Cb 0.00 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 2gdt s THR 92 CO 0.00 -0.14 -0.16 0.18 -0.69 0.00 0.00 174.62 173.80 2gdt n LEU 93 N -0.20 1.94 0.00 4.42 4.77 -0.07 -4.85 117.00 123.01 2gdt n LEU 93 Ca 0.04 0.07 -0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2gdt n LEU 93 Cb 0.53 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2gdt n LEU 93 CO 0.40 0.51 0.09 0.61 -1.33 0.00 0.00 177.39 177.68 2gdt n GLY 94 N 2.40 1.26 3.33 -0.72 0.00 -1.26 -2.96 105.19 107.25 2gdt n GLY 94 Ca -0.28 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.54 2.07 0.24 1.61 1.01 0.10 -2.12 120.40 120.78 2gdt s VAL 95 Ca 0.03 -1.33 -0.10 0.00 0.00 0.00 0.00 61.98 60.58 2gdt s VAL 95 Cb -0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 2gdt s VAL 95 CO 0.01 0.37 0.56 -0.76 0.00 0.00 0.00 175.10 175.28 2gdt s LEU 96 N -1.16 4.15 0.08 3.92 1.43 0.28 -1.22 118.68 126.16 2gdt s LEU 96 Ca 0.11 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 54.13 2gdt s LEU 96 Cb -0.10 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2gdt s LEU 96 CO 0.02 -0.09 -0.00 0.68 0.23 0.00 0.00 176.35 177.18 2gdt s VAL 97 N -1.85 0.20 0.45 -1.59 -7.23 -0.52 -4.54 120.40 105.31 2gdt s VAL 97 Ca 0.47 -1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 2gdt s VAL 97 Cb -0.11 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 2gdt s VAL 97 CO 0.22 -0.83 1.40 -2.16 -0.31 0.00 0.00 175.10 173.41 2gdt s PRO 98 N -3.96 3.71 -0.24 4.82 0.05 -1.26 -0.38 135.00 137.74 2gdt s PRO 98 Ca 0.12 2.35 -0.16 0.00 0.05 0.00 0.00 61.00 63.36 2gdt s PRO 98 Cb 0.08 -2.65 -0.03 0.00 0.05 0.00 0.00 34.50 31.94 2gdt s PRO 98 CO -0.06 -0.77 0.43 -1.58 0.05 0.00 0.00 177.00 175.07 2gdt s HIS 99 N -1.22 3.30 -0.26 0.56 2.46 0.01 -4.37 115.29 115.77 2gdt s HIS 99 Ca 0.61 0.56 0.20 0.00 0.47 0.00 0.00 55.06 56.90 2gdt s HIS 99 Cb -0.42 -2.61 0.50 0.00 -0.13 0.00 0.00 32.58 29.91 2gdt s HIS 99 CO 0.54 -0.17 1.13 1.33 -2.47 0.00 0.00 174.74 175.10 2gdt n VAL 100 N 4.86 1.49 -1.09 0.89 0.24 -1.26 -4.60 118.33 118.86 2gdt n VAL 100 Ca -0.07 -3.12 -0.03 0.00 -2.04 0.00 0.00 64.34 59.08 2gdt n VAL 100 Cb 0.50 0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.59 0.62 0.00 7.63 0.00 -1.26 -4.90 105.19 106.69 2gdt n GLY 101 Ca 0.14 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.68 0.50 -1.49 1.61 -0.58 -1.26 -4.95 120.64 111.78 2gdt n GLU 102 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2gdt n GLU 102 Cb 0.13 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2gdt n THR 103 N -1.00 -8.41 -1.26 2.62 -1.04 -1.26 -4.84 114.28 99.10 2gdt n THR 103 Ca 0.12 1.86 -0.31 0.00 -2.04 0.00 0.00 64.05 63.68 2gdt n THR 103 Cb 0.05 -4.22 0.09 0.00 -1.82 0.00 0.00 70.33 64.44 2gdt n THR 103 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2gdt s PRO 104 N -1.55 2.18 -0.17 -2.82 0.02 -1.26 -4.64 135.00 126.76 2gdt s PRO 104 Ca 0.00 1.14 0.12 0.00 0.02 0.00 0.00 61.00 62.28 2gdt s PRO 104 Cb 0.00 -1.89 -0.19 0.00 0.02 0.00 0.00 34.50 32.44 2gdt s PRO 104 CO 0.00 -1.69 0.01 0.44 -0.33 0.00 0.00 177.00 175.44 2gdt n ILE 105 N -3.55 1.14 -3.53 2.83 -0.00 -0.26 -4.99 119.36 111.01 2gdt n ILE 105 Ca 0.09 -0.66 -0.03 0.00 -0.00 0.00 0.00 62.75 62.15 2gdt n ILE 105 Cb 0.53 -0.68 -0.00 0.00 -0.00 0.00 0.00 39.64 39.49 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 -2.70 -0.21 -2.63 -1.28 0.00 -1.18 -5.02 120.51 107.49 2gdt n ALA 106 Ca -0.29 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 2gdt n ALA 106 Cb 1.01 0.31 -0.11 0.00 0.00 0.00 0.00 19.45 20.67 2gdt n ALA 106 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gdt s TYR 107 N -5.38 0.69 -0.14 0.00 1.51 -1.26 -0.19 117.35 112.57 2gdt s TYR 107 Ca 0.06 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.46 2gdt s TYR 107 Cb -0.01 -0.42 0.04 0.00 -0.11 0.00 0.00 41.96 41.46 2gdt s TYR 107 CO 0.05 -0.13 -0.04 1.03 -1.11 0.00 0.00 175.55 175.34 2gdt s ARG 108 N -2.35 1.28 0.05 -0.62 1.81 0.00 -4.84 118.95 114.28 2gdt s ARG 108 Ca -0.03 -0.35 -0.07 0.00 -1.72 0.00 0.00 55.73 53.56 2gdt s ARG 108 Cb -0.05 -1.76 -0.05 0.00 -0.45 0.00 0.00 34.95 32.64 2gdt s ARG 108 CO -0.02 -0.39 0.31 0.54 -0.68 0.00 0.00 175.30 175.07 2gdt s ASN 109 N 1.72 6.52 0.35 0.23 4.22 -1.26 -1.13 114.94 125.59 2gdt s ASN 109 Ca 0.02 0.60 -0.03 0.00 -2.14 0.00 0.00 52.86 51.31 2gdt s ASN 109 Cb -0.14 -2.10 0.01 0.00 1.28 0.00 0.00 41.25 40.29 2gdt s ASN 109 CO -0.08 0.19 0.50 0.68 -2.04 0.00 0.00 177.10 176.36 2gdt s VAL 110 N -1.40 0.00 0.18 3.54 -7.23 -0.38 -5.00 120.40 110.11 2gdt s VAL 110 Ca 0.32 -1.56 0.07 0.00 -1.81 0.00 0.00 61.98 58.99 2gdt s VAL 110 Cb -0.13 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2gdt s VAL 110 CO 0.19 0.00 0.05 -0.76 -0.31 0.00 0.00 175.10 174.27 2gdt s LEU 111 N -3.24 3.49 -0.13 1.32 2.01 -1.18 -1.29 118.68 119.66 2gdt s LEU 111 Ca 0.30 -0.31 -0.07 0.00 0.01 0.00 0.00 54.13 54.05 2gdt s LEU 111 Cb -0.01 -2.12 -0.04 0.00 0.01 0.00 0.00 46.19 44.03 2gdt s LEU 111 CO 0.20 0.07 0.14 -0.22 1.01 0.00 0.00 176.35 177.56 2gdt s LEU 112 N -3.06 4.37 0.00 1.79 0.20 0.78 -0.84 118.68 121.93 2gdt s LEU 112 Ca 0.29 0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.55 2gdt s LEU 112 Cb -0.09 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2gdt s LEU 112 CO 0.20 0.39 0.33 -1.14 -0.29 0.00 0.00 176.35 175.85 2gdt n ARG 113 N 2.13 0.32 0.00 1.98 0.63 -1.26 -0.89 116.66 119.58 2gdt n ARG 113 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2gdt n ARG 113 Cb 0.55 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.12 2gdt n ARG 113 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2gdt n LYS 114 N 0.87 0.00 0.00 -0.14 4.81 -1.26 -4.43 118.16 118.00 2gdt n LYS 114 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2gdt n LYS 114 Cb 0.16 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.21 2gdt n LYS 114 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gdt n ASN 115 N 1.28 0.00 0.00 3.14 3.02 -1.26 -4.97 115.26 116.47 2gdt n ASN 115 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2gdt n ASN 115 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25