#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 -2.71 -4.13 1.61 -0.00 -1.26 -4.98 115.22 103.74 2gdt n HIS 2 Ca 0.00 1.49 -0.34 0.00 -0.00 0.00 0.00 57.72 58.87 2gdt n HIS 2 Cb 0.00 -2.46 -0.14 0.00 -0.00 0.00 0.00 29.99 27.39 2gdt n HIS 2 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2gdt s VAL 3 N -4.10 3.29 0.42 1.59 -7.23 -0.26 -4.89 120.40 109.23 2gdt s VAL 3 Ca 0.00 -0.53 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 2gdt s VAL 3 Cb 0.00 -2.47 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 2gdt s VAL 3 CO 0.00 0.46 1.17 -1.58 -0.31 0.00 0.00 175.10 174.84 2gdt s GLN 4 N 1.14 3.94 0.02 4.82 0.74 -1.26 -0.20 119.66 128.86 2gdt s GLN 4 Ca 0.02 1.82 -0.01 0.00 0.05 0.00 0.00 55.36 57.24 2gdt s GLN 4 Cb -0.14 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.37 2gdt s GLN 4 CO -0.01 -0.41 -0.01 -0.51 -0.55 0.00 0.00 175.29 173.79 2gdt s LEU 5 N -2.69 2.18 0.29 3.68 1.43 -0.20 -4.88 118.68 118.48 2gdt s LEU 5 Ca 0.59 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 53.31 2gdt s LEU 5 Cb -0.30 0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.04 2gdt s LEU 5 CO 0.37 -0.33 -0.15 -0.44 0.23 0.00 0.00 176.35 176.03 2gdt s SER 6 N -1.54 3.76 -0.04 2.29 0.01 -1.26 -1.09 113.70 115.83 2gdt s SER 6 Ca -0.14 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2gdt s SER 6 Cb -0.09 -0.39 0.03 0.00 0.21 0.00 0.00 66.02 65.78 2gdt s SER 6 CO -0.01 0.00 -0.01 -0.76 0.41 0.00 0.00 173.24 172.87 2gdt s LEU 7 N -3.55 1.10 0.23 2.44 1.43 0.46 -4.98 118.68 115.80 2gdt s LEU 7 Ca 0.31 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 2gdt s LEU 7 Cb -0.04 -0.31 -0.10 0.00 0.03 0.00 0.00 46.19 45.77 2gdt s LEU 7 CO 0.16 -0.10 1.41 -2.16 0.23 0.00 0.00 176.35 175.88 2gdt s PRO 8 N 1.16 4.30 -0.34 1.29 0.05 -1.26 -1.11 135.00 139.09 2gdt s PRO 8 Ca -0.08 2.23 -0.18 0.00 0.05 0.00 0.00 61.00 63.02 2gdt s PRO 8 Cb -0.14 -3.14 -0.01 0.00 0.05 0.00 0.00 34.50 31.27 2gdt s PRO 8 CO -0.02 -0.38 0.54 0.08 0.05 0.00 0.00 177.00 177.27 2gdt s VAL 9 N 0.10 5.00 0.07 -0.36 1.01 0.27 -2.07 120.40 124.42 2gdt s VAL 9 Ca 0.59 0.44 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2gdt s VAL 9 Cb -0.40 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2gdt s VAL 9 CO 0.41 -0.20 -0.04 -0.76 0.00 0.00 0.00 175.10 174.51 2gdt s LEU 10 N 2.44 3.29 0.30 3.92 1.43 -1.24 -1.61 118.68 127.21 2gdt s LEU 10 Ca 0.20 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 2gdt s LEU 10 Cb -0.15 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 2gdt s LEU 10 CO 0.13 0.20 1.34 -1.10 0.23 0.00 0.00 176.35 177.15 2gdt s GLN 11 N -2.08 4.34 0.28 1.70 -0.21 -1.26 -4.73 119.66 117.70 2gdt s GLN 11 Ca 0.23 2.22 0.18 0.00 0.02 0.00 0.00 55.36 58.01 2gdt s GLN 11 Cb -0.11 -3.09 0.99 0.00 1.00 0.00 0.00 33.01 31.80 2gdt s GLN 11 CO 0.15 -0.24 1.55 1.55 -2.12 0.00 0.00 175.29 176.18 2gdt n VAL 12 N 1.28 1.15 0.07 1.09 3.14 -1.26 -1.23 118.33 122.56 2gdt n VAL 12 Ca 0.02 0.71 -0.22 0.00 -2.96 0.00 0.00 64.34 61.88 2gdt n VAL 12 Cb 0.42 -1.71 -0.15 0.00 -1.06 0.00 0.00 33.84 31.34 2gdt n VAL 12 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2gdt h ARG 13 N 0.00 0.38 -0.11 1.45 3.08 -2.00 -3.36 114.38 113.82 2gdt h ARG 13 Ca 0.00 -0.64 -0.07 0.00 0.07 0.00 0.00 59.98 59.34 2gdt h ARG 13 Cb 0.03 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2gdt h ARG 13 CO 0.00 1.29 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.54 2gdt h ASP 14 N 0.10 0.37 0.00 7.04 3.32 -1.53 -3.39 116.42 122.34 2gdt h ASP 14 Ca -0.34 -0.55 -0.31 0.00 0.02 0.00 0.00 57.03 55.84 2gdt h ASP 14 Cb 2.09 -0.11 0.08 0.00 0.22 0.00 0.00 39.33 41.61 2gdt h ASP 14 CO 0.17 0.86 1.18 0.52 -1.72 0.00 0.00 179.24 180.25 2gdt n VAL 15 N -4.51 0.00 -0.39 -1.35 0.31 -0.84 -4.81 118.33 106.74 2gdt n VAL 15 Ca -0.07 -0.01 0.33 0.00 -0.01 0.00 0.00 64.34 64.58 2gdt n VAL 15 Cb 0.42 -1.74 0.55 0.00 -0.91 0.00 0.00 33.84 32.16 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 7.08 0.17 -4.00 7.52 4.77 -1.26 -3.93 117.00 127.34 2gdt n LEU 16 Ca 0.25 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 57.04 2gdt n LEU 16 Cb 0.23 -0.55 -0.15 0.00 -2.33 0.00 0.00 43.42 40.61 2gdt n LEU 16 CO 0.86 -1.22 -0.35 0.54 -1.33 0.00 0.00 177.39 175.90 2gdt s VAL 17 N -4.93 2.14 -0.79 4.08 0.11 -1.26 -4.97 120.40 114.77 2gdt s VAL 17 Ca -0.06 -2.18 0.17 0.00 -2.93 0.00 0.00 61.98 56.98 2gdt s VAL 17 Cb 0.25 -2.55 0.70 0.00 -1.53 0.00 0.00 36.38 33.26 2gdt s VAL 17 CO 0.67 -0.54 1.62 0.54 -3.33 0.00 0.00 175.10 174.06 2gdt n ARG 18 N 4.32 3.90 -3.34 1.54 3.00 -1.25 -4.35 116.66 120.48 2gdt n ARG 18 Ca 0.01 -2.91 -0.11 0.00 -0.01 0.00 0.00 57.85 54.84 2gdt n ARG 18 Cb 0.42 -1.95 -0.07 0.00 0.00 0.00 0.00 32.46 30.86 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 -1.01 -0.44 0.54 -0.13 0.00 -1.26 -4.44 107.32 100.57 2gdt s GLY 19 Ca 0.50 0.33 0.29 0.00 0.00 0.00 0.00 44.72 45.83 2gdt s GLY 19 CO 0.20 2.85 1.94 0.74 0.00 0.00 0.00 173.10 178.83 2gdt h PHE 20 N 8.19 0.00 -3.42 1.90 0.04 -1.88 -3.44 116.94 118.33 2gdt h PHE 20 Ca -0.13 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.57 2gdt h PHE 20 Cb 1.12 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.23 2gdt h PHE 20 CO 0.23 0.00 0.07 0.20 -0.60 0.00 0.00 178.31 178.21 2gdt s GLY 21 N -3.99 0.62 0.06 -1.45 0.00 -1.26 -4.73 107.32 96.57 2gdt s GLY 21 Ca -0.05 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 43.99 2gdt s GLY 21 CO 0.75 -0.51 0.92 2.09 0.00 0.00 0.00 173.10 176.34 2gdt n ASP 22 N -1.06 0.55 -4.46 1.64 5.68 -1.26 -4.66 116.55 112.98 2gdt n ASP 22 Ca -0.04 -0.09 -0.29 0.00 -0.50 0.00 0.00 54.79 53.87 2gdt n ASP 22 Cb 0.61 0.97 -0.12 0.00 -1.14 0.00 0.00 41.12 41.44 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2gdt s SER 23 N -4.29 3.71 0.23 -1.12 0.01 -1.26 -4.54 113.70 106.44 2gdt s SER 23 Ca 0.01 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2gdt s SER 23 Cb 0.13 -0.44 0.22 0.00 0.21 0.00 0.00 66.02 66.15 2gdt s SER 23 CO 0.82 0.17 1.77 1.62 0.41 0.00 0.00 173.24 178.04 2gdt h VAL 24 N 3.61 1.25 0.00 3.43 3.04 -1.91 -1.85 116.25 123.81 2gdt h VAL 24 Ca -0.50 -0.88 -0.10 0.00 -1.01 0.00 0.00 66.70 64.21 2gdt h VAL 24 Cb 1.17 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 2gdt h VAL 24 CO 0.44 0.34 -0.45 -0.33 -1.01 0.00 0.00 177.57 176.56 2gdt h GLU 25 N 1.02 0.00 0.56 4.17 5.08 -1.98 0.24 114.58 123.67 2gdt h GLU 25 Ca 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2gdt h GLU 25 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 2gdt h GLU 25 CO -0.01 0.45 -0.27 0.93 -1.00 0.00 0.00 179.01 179.12 2gdt h GLU 26 N 0.00 -0.73 -0.84 2.33 5.08 -1.88 -2.90 114.58 115.64 2gdt h GLU 26 Ca -0.00 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2gdt h GLU 26 Cb 0.87 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 2gdt h GLU 26 CO 0.06 -0.48 0.55 0.00 -1.00 0.00 0.00 179.01 178.13 2gdt h ALA 27 N -1.65 1.09 -0.38 3.43 0.00 -0.87 0.60 119.26 121.49 2gdt h ALA 27 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2gdt h ALA 27 Cb 0.58 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2gdt h ALA 27 CO 0.13 0.41 0.21 1.25 0.00 0.00 0.00 179.25 181.25 2gdt h LEU 28 N 1.09 0.48 0.13 0.00 6.46 -1.09 -0.27 115.31 122.10 2gdt h LEU 28 Ca 0.32 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 2gdt h LEU 28 Cb -0.05 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2gdt h LEU 28 CO -0.10 0.43 -0.06 -1.28 -0.62 0.00 0.00 178.44 176.81 2gdt h SER 29 N 0.49 -0.15 -0.93 1.25 0.87 -1.01 -2.68 113.55 111.39 2gdt h SER 29 Ca 0.13 -0.21 0.16 0.00 -1.23 0.00 0.00 61.79 60.64 2gdt h SER 29 Cb 0.06 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 61.95 2gdt h SER 29 CO -0.02 0.14 0.52 -0.33 -0.53 0.00 0.00 176.83 176.61 2gdt h GLU 30 N -0.44 0.69 0.01 2.24 4.39 -0.94 -0.91 114.58 119.62 2gdt h GLU 30 Ca -0.02 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2gdt h GLU 30 Cb 0.35 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2gdt h GLU 30 CO 0.03 0.46 -0.00 0.00 -1.16 0.00 0.00 179.01 178.33 2gdt h ALA 31 N 1.60 -0.01 -0.86 3.43 0.00 -0.87 0.43 119.26 122.96 2gdt h ALA 31 Ca 0.52 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.43 2gdt h ALA 31 Cb 0.75 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2gdt h ALA 31 CO -0.37 -0.37 0.56 0.00 0.00 0.00 0.00 179.25 179.07 2gdt h ARG 32 N -0.28 0.67 0.07 0.00 3.08 -1.11 -0.42 114.38 116.38 2gdt h ARG 32 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2gdt h ARG 32 Cb 0.27 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2gdt h ARG 32 CO 0.00 0.44 -0.03 0.93 -1.07 0.00 0.00 179.97 180.24 2gdt h GLU 33 N 0.69 -0.09 0.00 0.04 5.08 -0.32 -2.22 114.58 117.76 2gdt h GLU 33 Ca 0.42 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2gdt h GLU 33 Cb 0.67 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2gdt h GLU 33 CO -0.18 0.31 -0.24 0.45 -1.00 0.00 0.00 179.01 178.34 2gdt h HIS 34 N -0.51 0.00 -0.57 4.33 3.86 0.18 0.16 115.15 122.61 2gdt h HIS 34 Ca -0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 2gdt h HIS 34 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 2gdt h HIS 34 CO 0.06 0.24 -0.06 -0.07 0.86 0.00 0.00 177.93 178.96 2gdt h LEU 35 N 0.00 1.04 -0.28 2.43 3.38 -1.09 0.21 115.31 121.00 2gdt h LEU 35 Ca -0.00 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2gdt h LEU 35 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2gdt h LEU 35 CO 0.03 1.12 -0.24 0.50 0.09 0.00 0.00 178.44 179.94 2gdt h LYS 36 N 0.93 0.65 -0.19 1.13 3.11 -0.50 -2.70 116.57 118.99 2gdt h LYS 36 Ca 0.15 -0.33 0.05 0.00 -2.81 0.00 0.00 60.65 57.72 2gdt h LYS 36 Cb 0.63 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.80 2gdt h LYS 36 CO 0.04 0.93 -0.19 -0.91 -2.81 0.00 0.00 179.45 176.51 2gdt h ASN 37 N 0.38 -0.60 0.00 4.20 2.35 -0.76 -3.47 115.58 117.69 2gdt h ASN 37 Ca 0.05 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2gdt h ASN 37 Cb 0.79 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2gdt h ASN 37 CO 0.06 -0.23 0.00 0.61 -1.65 0.00 0.00 177.43 176.22 2gdt n GLY 38 N -1.34 0.66 2.47 2.83 0.00 0.51 -5.03 105.19 105.30 2gdt n GLY 38 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.24 4.09 -3.91 2.61 -2.24 0.04 -4.89 114.28 108.73 2gdt n THR 39 Ca 0.00 -3.48 -0.13 0.00 -2.27 0.00 0.00 64.05 58.16 2gdt n THR 39 Cb 0.00 -1.80 -0.14 0.00 -2.10 0.00 0.00 70.33 66.28 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt n GLY 41 N 3.27 3.47 3.03 0.00 0.00 0.10 -4.35 105.19 110.71 2gdt n GLY 41 Ca -0.15 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.51 2gdt n GLY 41 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gdt s LEU 42 N 0.00 1.82 -0.23 0.99 2.96 -0.88 -2.18 118.68 121.16 2gdt s LEU 42 Ca 0.13 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 2gdt s LEU 42 Cb 0.01 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 46.03 2gdt s LEU 42 CO 0.09 0.08 0.01 -0.69 -1.32 0.00 0.00 176.35 174.52 2gdt s VAL 43 N 0.16 3.81 -0.12 1.68 1.01 0.11 -3.68 120.40 123.36 2gdt s VAL 43 Ca -0.03 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2gdt s VAL 43 Cb -0.09 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2gdt s VAL 43 CO 0.01 0.39 1.35 -1.61 0.00 0.00 0.00 175.10 175.24 2gdt s GLU 44 N 1.49 4.23 -0.01 2.72 2.02 -1.26 -1.18 118.70 126.71 2gdt s GLU 44 Ca 0.06 1.80 -0.30 0.00 0.02 0.00 0.00 54.97 56.54 2gdt s GLU 44 Cb -0.15 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 2gdt s GLU 44 CO 0.00 -0.71 1.25 -0.51 0.02 0.00 0.00 175.26 175.31 2gdt s LEU 45 N 3.44 4.31 0.25 1.80 1.43 -1.26 -4.94 118.68 123.71 2gdt s LEU 45 Ca 0.60 1.94 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 2gdt s LEU 45 Cb -0.25 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 2gdt s LEU 45 CO 0.19 -0.59 0.26 -0.70 0.23 0.00 0.00 176.35 175.75 2gdt s GLU 46 N 1.94 1.46 0.11 1.70 -6.30 -1.26 -5.05 118.70 111.29 2gdt s GLU 46 Ca 0.59 -1.66 -0.31 0.00 -2.50 0.00 0.00 54.97 51.09 2gdt s GLU 46 Cb -0.28 0.34 -0.11 0.00 0.00 0.00 0.00 34.13 34.08 2gdt s GLU 46 CO 0.25 -0.53 1.50 -0.22 0.02 0.00 0.00 175.26 176.28 2gdt h LYS 47 N 2.40 -0.47 -0.66 4.30 1.63 -2.00 -2.99 116.57 118.78 2gdt h LYS 47 Ca -0.31 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2gdt h LYS 47 Cb 1.25 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2gdt h LYS 47 CO 0.45 -0.31 0.00 0.41 -3.45 0.00 0.00 179.45 176.55 2gdt n GLY 48 N -1.38 2.78 0.11 5.01 0.00 -1.26 -4.58 105.19 105.87 2gdt n GLY 48 Ca -0.05 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 4.18 0.68 -0.62 1.61 2.07 -1.89 -3.34 116.25 118.95 2gdt h VAL 49 Ca 0.00 -1.26 0.13 0.00 0.82 0.00 0.00 66.70 66.38 2gdt h VAL 49 Cb 1.55 1.22 -0.11 0.00 -1.52 0.00 0.00 31.29 32.43 2gdt h VAL 49 CO 0.27 0.20 -0.11 -0.07 0.02 0.00 0.00 177.57 177.88 2gdt h LEU 50 N -0.96 -0.50 0.00 2.57 3.38 -1.81 0.05 115.31 118.04 2gdt h LEU 50 Ca -0.02 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2gdt h LEU 50 Cb 0.45 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2gdt h LEU 50 CO 0.03 -0.18 0.00 -0.81 0.09 0.00 0.00 178.44 177.56 2gdt n PRO 51 N -5.39 0.72 0.00 1.13 -0.04 -1.26 -1.81 135.00 128.35 2gdt n PRO 51 Ca 0.08 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 2gdt n PRO 51 Cb 0.33 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.83 0.65 -1.12 0.54 6.02 -0.01 -4.99 117.38 117.65 2gdt n GLN 52 Ca 0.11 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.94 2gdt n GLN 52 Cb 0.05 -1.65 0.13 0.00 1.02 0.00 0.00 30.24 29.79 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 -2.60 0.00 0.00 1.08 4.32 -0.75 -4.90 117.00 114.14 2gdt n LEU 53 Ca -0.11 -0.88 0.00 0.00 -0.02 0.00 0.00 56.01 55.01 2gdt n LEU 53 Cb 0.76 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2gdt n LEU 53 CO 0.44 -1.14 0.02 -0.62 -1.22 0.00 0.00 177.39 174.86 2gdt n GLU 54 N -2.80 0.00 0.10 3.23 -0.58 -1.26 -5.04 120.64 114.28 2gdt n GLU 54 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2gdt n GLU 54 Cb 0.35 -0.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 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 -0.23 0.00 -2.23 3.49 1.13 -1.26 -5.01 117.38 113.27 2gdt n GLN 55 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 2gdt n GLN 55 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2gdt s PRO 56 N -2.00 2.92 -0.51 -1.09 0.04 -1.25 -4.53 135.00 128.58 2gdt s PRO 56 Ca 0.00 -0.60 -0.29 0.00 0.04 0.00 0.00 61.00 60.16 2gdt s PRO 56 Cb 0.00 -5.17 0.02 0.00 0.04 0.00 0.00 34.50 29.39 2gdt s PRO 56 CO 0.00 -2.97 1.24 0.71 0.04 0.00 0.00 177.00 176.03 2gdt s TYR 57 N 8.28 2.60 -1.12 0.56 2.02 -1.20 -4.83 117.35 123.65 2gdt s TYR 57 Ca 0.62 0.58 -0.20 0.00 -0.37 0.00 0.00 57.07 57.69 2gdt s TYR 57 Cb -0.04 -4.44 0.07 0.00 -0.40 0.00 0.00 41.96 37.15 2gdt s TYR 57 CO -0.04 -1.60 1.53 0.08 -1.57 0.00 0.00 175.55 173.95 2gdt s VAL 58 N 5.03 4.11 0.69 0.71 1.01 -1.26 -2.91 120.40 127.77 2gdt s VAL 58 Ca 0.49 -1.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2gdt s VAL 58 Cb -0.09 -5.08 0.01 0.00 0.00 0.00 0.00 36.38 31.22 2gdt s VAL 58 CO 0.29 -1.92 1.08 -0.36 0.00 0.00 0.00 175.10 174.19 2gdt s PHE 59 N 4.37 3.34 -0.25 5.22 0.08 -0.04 -0.88 117.98 129.82 2gdt s PHE 59 Ca 0.48 1.14 0.01 0.00 0.12 0.00 0.00 56.93 58.68 2gdt s PHE 59 Cb 0.01 -2.97 0.06 0.00 -0.57 0.00 0.00 43.02 39.55 2gdt s PHE 59 CO -0.03 -1.12 -0.05 0.96 -0.10 0.00 0.00 175.22 174.87 2gdt s ILE 60 N -3.27 1.68 0.11 0.64 -4.36 -0.72 -1.09 121.20 114.18 2gdt s ILE 60 Ca 0.58 -1.37 0.06 0.00 -0.26 0.00 0.00 60.65 59.66 2gdt s ILE 60 Cb -0.12 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 2gdt s ILE 60 CO 0.53 -0.13 -0.05 -1.59 0.24 0.00 0.00 174.94 173.93 2gdt s LYS 61 N 1.32 2.30 -0.24 0.37 -2.85 -1.04 -0.64 119.74 118.96 2gdt s LYS 61 Ca -0.05 -0.98 -0.32 0.00 -1.00 0.00 0.00 55.97 53.62 2gdt s LYS 61 Cb -0.19 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.10 2gdt s LYS 61 CO -0.07 0.51 2.13 2.89 0.10 0.00 0.00 175.35 180.92 2gdt n ARG 62 N 0.54 1.68 -1.46 1.78 1.85 -1.07 -0.69 116.66 119.30 2gdt n ARG 62 Ca -0.12 0.51 -0.42 0.00 -1.00 0.00 0.00 57.85 56.81 2gdt n ARG 62 Cb 0.53 -2.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.13 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 9.80 -0.77 -1.24 2.89 2.88 -1.26 -4.90 113.62 121.03 2gdt n SER 63 Ca 0.33 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 2gdt n SER 63 Cb 0.33 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 2gdt n SER 63 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gdt n ASP 64 N 1.37 0.28 -0.89 -3.46 8.00 -1.26 -4.82 116.55 115.77 2gdt n ASP 64 Ca 0.12 -1.96 0.05 0.00 0.71 0.00 0.00 54.79 53.70 2gdt n ASP 64 Cb 0.38 -0.10 0.09 0.00 -0.02 0.00 0.00 41.12 41.46 2gdt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gdt n ALA 65 N 0.29 2.67 -3.85 2.24 0.00 -1.26 -4.98 120.51 115.63 2gdt n ALA 65 Ca -0.05 -2.43 -0.30 0.00 0.00 0.00 0.00 53.44 50.66 2gdt n ALA 65 Cb 0.96 -0.54 -0.16 0.00 0.00 0.00 0.00 19.45 19.71 2gdt n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gdt s LEU 66 N -1.29 2.42 -0.30 0.00 1.43 -1.26 -5.10 118.68 114.58 2gdt s LEU 66 Ca 0.29 -1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 51.97 2gdt s LEU 66 Cb 0.30 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.65 2gdt s LEU 66 CO -0.09 -0.32 0.64 -0.94 0.23 0.00 0.00 176.35 175.87 2gdt s SER 67 N 1.50 -1.17 0.46 2.29 1.04 -1.26 -4.93 113.70 111.63 2gdt s SER 67 Ca 0.01 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.88 2gdt s SER 67 Cb -0.18 2.26 0.00 0.00 0.10 0.00 0.00 66.02 68.20 2gdt s SER 67 CO -0.12 -0.23 0.00 0.41 0.98 0.00 0.00 173.24 174.28 2gdt n THR 68 N 5.44 0.00 0.00 2.02 -1.04 -1.26 -5.00 114.28 114.44 2gdt n THR 68 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2gdt n THR 68 Cb 0.49 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 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 -3.46 1.11 -3.77 8.00 5.15 -1.26 -5.08 115.26 115.95 2gdt n ASN 69 Ca 0.00 -0.36 -0.13 0.00 -0.60 0.00 0.00 54.58 53.50 2gdt n ASN 69 Cb 0.00 0.93 -0.11 0.00 -0.53 0.00 0.00 39.78 40.07 2gdt n ASN 69 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2gdt s HIS 70 N -1.15 -0.31 0.00 1.20 3.76 -1.26 -4.93 115.29 112.59 2gdt s HIS 70 Ca 0.00 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.68 2gdt s HIS 70 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.80 2gdt s HIS 70 CO 0.00 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 2gdt n GLY 71 N 2.98 1.08 1.48 -2.22 0.00 -1.26 -4.69 105.19 102.56 2gdt n GLY 71 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2gdt n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gdt n HIS 72 N 0.00 -4.04 -2.14 1.61 8.25 -1.26 -4.72 115.22 112.92 2gdt n HIS 72 Ca 0.00 2.19 -0.36 0.00 -0.26 0.00 0.00 57.72 59.29 2gdt n HIS 72 Cb 0.00 -3.43 -0.04 0.00 1.12 0.00 0.00 29.99 27.64 2gdt n HIS 72 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2gdt s LYS 73 N -5.33 2.74 0.63 -0.41 1.02 -1.26 -4.97 119.74 112.17 2gdt s LYS 73 Ca 0.00 0.16 -0.10 0.00 0.02 0.00 0.00 55.97 56.05 2gdt s LYS 73 Cb 0.00 -4.59 -0.01 0.00 -0.52 0.00 0.00 37.83 32.70 2gdt s LYS 73 CO 0.00 -2.79 1.02 0.14 -0.92 0.00 0.00 175.35 172.79 2gdt s VAL 74 N 8.66 4.15 0.33 3.17 -7.23 -1.26 -3.93 120.40 124.29 2gdt s VAL 74 Ca 0.62 0.56 0.03 0.00 -1.81 0.00 0.00 61.98 61.39 2gdt s VAL 74 Cb -0.10 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2gdt s VAL 74 CO 0.13 -0.85 0.35 0.68 -0.31 0.00 0.00 175.10 175.10 2gdt s VAL 75 N -3.18 0.00 0.05 1.32 -7.23 -0.77 -4.01 120.40 106.58 2gdt s VAL 75 Ca 0.55 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 2gdt s VAL 75 Cb -0.11 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2gdt s VAL 75 CO 0.51 0.00 0.18 -1.83 -0.31 0.00 0.00 175.10 173.66 2gdt s GLU 76 N -3.30 0.72 0.02 4.82 -1.05 0.14 -4.16 118.70 115.88 2gdt s GLU 76 Ca 0.36 -0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 54.19 2gdt s GLU 76 Cb 0.01 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2gdt s GLU 76 CO 0.24 -0.21 0.88 -0.51 0.95 0.00 0.00 175.26 176.61 2gdt s LEU 77 N -2.28 4.40 0.07 1.83 1.43 -1.26 -2.50 118.68 120.37 2gdt s LEU 77 Ca -0.03 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 54.59 2gdt s LEU 77 Cb 0.00 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 2gdt s LEU 77 CO -0.06 -0.13 0.04 -0.69 0.23 0.00 0.00 176.35 175.74 2gdt s VAL 78 N 0.53 0.19 -0.12 -1.59 1.01 -0.25 -5.00 120.40 115.16 2gdt s VAL 78 Ca 0.45 -1.65 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 2gdt s VAL 78 Cb -0.21 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2gdt s VAL 78 CO 0.25 -0.85 0.32 0.00 0.00 0.00 0.00 175.10 174.82 2gdt s ALA 79 N -3.92 -0.79 -0.07 5.51 0.00 -1.26 -0.86 121.76 120.36 2gdt s ALA 79 Ca 0.08 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 2gdt s ALA 79 Cb 0.07 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.64 2gdt s ALA 79 CO -0.09 -0.17 0.15 -1.21 0.00 0.00 0.00 175.76 174.44 2gdt s GLU 80 N 0.50 0.07 0.07 0.00 0.41 -1.15 -4.98 118.70 113.62 2gdt s GLU 80 Ca -0.03 0.45 -0.29 0.00 -0.41 0.00 0.00 54.97 54.69 2gdt s GLU 80 Cb -0.04 -0.22 -0.14 0.00 -1.78 0.00 0.00 34.13 31.95 2gdt s GLU 80 CO -0.03 -0.23 1.45 1.98 -0.49 0.00 0.00 175.26 177.95 2gdt h MET 81 N 7.71 -0.78 -0.07 1.61 1.85 -1.90 -2.49 114.93 120.86 2gdt h MET 81 Ca -0.31 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.84 2gdt h MET 81 Cb 1.13 0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.34 2gdt h MET 81 CO 0.31 -0.52 0.00 -0.25 -0.40 0.00 0.00 176.91 176.05 2gdt n ASP 82 N -4.92 1.72 -2.85 1.39 8.00 -1.26 -3.96 116.55 114.67 2gdt n ASP 82 Ca -0.10 -1.61 -0.21 0.00 0.71 0.00 0.00 54.79 53.58 2gdt n ASP 82 Cb 0.37 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gdt n GLY 83 N 1.19 -0.47 0.36 0.44 0.00 -0.94 -4.92 105.19 100.85 2gdt n GLY 83 Ca 0.18 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.44 -0.54 -3.91 -0.61 5.41 -1.26 -3.87 119.36 110.13 2gdt n ILE 84 Ca -0.12 2.17 -0.23 0.00 1.00 0.00 0.00 62.75 65.57 2gdt n ILE 84 Cb 0.62 -2.78 -0.05 0.00 -0.71 0.00 0.00 39.64 36.72 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 -5.68 2.42 0.00 0.38 1.11 -1.26 -4.86 119.66 111.77 2gdt s GLN 85 Ca -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 55.36 53.66 2gdt s GLN 85 Cb 0.15 -2.22 0.00 0.00 -1.01 0.00 0.00 33.01 29.93 2gdt s GLN 85 CO 0.61 -0.04 0.00 0.66 0.01 0.00 0.00 175.29 176.53 2gdt n TYR 86 N -1.32 0.00 -0.02 0.91 4.01 -1.26 -4.65 117.16 114.84 2gdt n TYR 86 Ca -0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.63 2gdt n TYR 86 Cb 0.62 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.19 0.82 2.72 0.00 -1.90 -1.52 103.07 103.37 2gdt h GLY 87 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2gdt h GLY 87 CO 0.00 0.04 0.00 -2.13 0.00 0.00 0.00 176.54 174.45 2gdt n ARG 88 N -5.03 0.80 -4.61 4.80 0.00 -1.26 -4.90 116.66 106.45 2gdt n ARG 88 Ca -0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.48 2gdt n ARG 88 Cb 0.05 -1.41 -0.14 0.00 0.00 0.00 0.00 32.46 30.96 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 -1.85 4.19 0.00 6.15 0.15 -0.57 -4.99 113.70 116.76 2gdt s SER 89 Ca 0.31 -0.30 0.18 0.00 0.70 0.00 0.00 55.95 56.85 2gdt s SER 89 Cb 0.14 -1.66 0.82 0.00 -1.71 0.00 0.00 66.02 63.62 2gdt s SER 89 CO 0.24 0.15 1.58 0.61 1.20 0.00 0.00 173.24 177.02 2gdt n GLY 90 N 3.66 -1.06 0.23 9.45 0.00 -1.26 -1.41 105.19 114.79 2gdt n GLY 90 Ca -0.18 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 0.86 -3.57 -0.61 2.10 -1.94 -3.44 117.51 110.90 2gdt h ILE 91 Ca 0.00 -0.81 -0.52 0.00 1.08 0.00 0.00 64.86 64.61 2gdt h ILE 91 Cb 0.28 1.48 -0.03 0.00 -1.09 0.00 0.00 36.82 37.45 2gdt h ILE 91 CO 0.00 0.21 0.20 -0.89 -1.08 0.00 0.00 178.15 176.58 2gdt s THR 92 N -4.22 4.35 -0.18 2.19 2.01 -0.50 -2.59 115.64 116.71 2gdt s THR 92 Ca -0.03 1.69 0.16 0.00 0.31 0.00 0.00 61.69 63.83 2gdt s THR 92 Cb 0.14 -4.11 -0.24 0.00 0.01 0.00 0.00 72.50 68.29 2gdt s THR 92 CO 0.65 0.46 0.14 0.18 -0.69 0.00 0.00 174.62 175.36 2gdt n LEU 93 N 1.40 0.31 0.00 4.42 4.77 0.19 -4.96 117.00 123.13 2gdt n LEU 93 Ca -0.04 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2gdt n LEU 93 Cb 0.49 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2gdt n LEU 93 CO 0.46 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2gdt n GLY 94 N 1.75 0.68 3.11 -0.72 0.00 -1.26 -4.51 105.19 104.24 2gdt n GLY 94 Ca -0.31 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 2gdt n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gdt s VAL 95 N -2.02 1.10 0.05 1.61 0.11 -0.32 -1.76 120.40 119.17 2gdt s VAL 95 Ca 0.00 -0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 58.28 2gdt s VAL 95 Cb 0.00 -0.92 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 2gdt s VAL 95 CO 0.00 0.31 0.51 -0.76 -3.33 0.00 0.00 175.10 171.83 2gdt s LEU 96 N -0.33 4.50 0.07 2.54 1.02 -0.06 0.05 118.68 126.48 2gdt s LEU 96 Ca 0.05 1.14 0.01 0.00 0.02 0.00 0.00 54.13 55.35 2gdt s LEU 96 Cb -0.05 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.32 2gdt s LEU 96 CO -0.01 0.29 -0.05 0.68 0.02 0.00 0.00 176.35 177.28 2gdt s VAL 97 N -1.12 0.48 0.02 -1.59 -7.23 -0.93 -4.52 120.40 105.51 2gdt s VAL 97 Ca 0.27 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 2gdt s VAL 97 Cb -0.18 -1.47 -0.07 0.00 0.56 0.00 0.00 36.38 35.22 2gdt s VAL 97 CO 0.17 -0.86 1.56 -2.16 -0.31 0.00 0.00 175.10 173.50 2gdt s PRO 98 N -3.57 4.22 -0.61 4.82 0.04 -1.26 -0.72 135.00 137.92 2gdt s PRO 98 Ca 0.07 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.00 2gdt s PRO 98 Cb 0.04 -3.68 0.01 0.00 0.04 0.00 0.00 34.50 30.92 2gdt s PRO 98 CO -0.06 -0.70 1.47 -1.58 0.04 0.00 0.00 177.00 176.17 2gdt s HIS 99 N 2.87 2.15 -0.64 0.56 2.46 0.05 -4.71 115.29 118.04 2gdt s HIS 99 Ca 0.70 0.40 0.03 0.00 0.47 0.00 0.00 55.06 56.66 2gdt s HIS 99 Cb -0.35 -4.39 0.37 0.00 -0.13 0.00 0.00 32.58 28.08 2gdt s HIS 99 CO 0.29 -2.08 1.39 1.55 -2.47 0.00 0.00 174.74 173.42 2gdt n VAL 100 N 6.82 3.26 -1.24 0.89 3.14 -1.26 -4.56 118.33 125.37 2gdt n VAL 100 Ca 0.12 -5.04 -0.08 0.00 -2.96 0.00 0.00 64.34 56.38 2gdt n VAL 100 Cb 0.50 -1.32 -0.04 0.00 -1.06 0.00 0.00 33.84 31.92 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2gdt n GLY 101 N -0.40 1.01 0.00 7.55 0.00 -1.26 -4.87 105.19 107.21 2gdt n GLY 101 Ca 0.42 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.41 0.69 -1.69 1.61 -0.58 -1.26 -4.93 120.64 112.07 2gdt n GLU 102 Ca -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.65 2gdt n GLU 102 Cb 0.32 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.99 -6.66 -2.74 2.62 -1.04 -1.26 -4.87 114.28 99.34 2gdt n THR 103 Ca 0.16 1.18 -0.34 0.00 -2.04 0.00 0.00 64.05 63.01 2gdt n THR 103 Cb 0.07 -4.42 -0.06 0.00 -1.82 0.00 0.00 70.33 64.10 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 -1.22 4.20 0.06 -2.82 0.04 -1.26 -4.67 135.00 129.33 2gdt s PRO 104 Ca -0.05 1.23 0.23 0.00 0.04 0.00 0.00 61.00 62.45 2gdt s PRO 104 Cb 0.00 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2gdt s PRO 104 CO 0.13 -0.07 1.00 0.44 0.04 0.00 0.00 177.00 178.54 2gdt n ILE 105 N -0.46 0.19 -3.82 0.56 -0.00 -0.63 -4.98 119.36 110.21 2gdt n ILE 105 Ca 0.06 -0.28 -0.06 0.00 -0.00 0.00 0.00 62.75 62.48 2gdt n ILE 105 Cb 0.53 0.17 -0.00 0.00 -0.00 0.00 0.00 39.64 40.33 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 -3.22 -1.26 0.03 -1.28 0.00 -1.23 -5.03 121.76 109.76 2gdt s ALA 106 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2gdt s ALA 106 Cb 0.14 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 2gdt s ALA 106 CO 0.81 -1.03 -0.12 0.71 0.00 0.00 0.00 175.76 176.13 2gdt s TYR 107 N -3.21 1.03 0.09 0.00 1.51 -1.26 -0.56 117.35 114.95 2gdt s TYR 107 Ca 0.13 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.94 2gdt s TYR 107 Cb -0.04 -0.62 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 2gdt s TYR 107 CO 0.07 0.01 -0.19 1.03 -1.11 0.00 0.00 175.55 175.35 2gdt s ARG 108 N -1.00 1.05 -0.02 -0.62 1.81 -0.27 -4.91 118.95 114.98 2gdt s ARG 108 Ca 0.00 -1.10 -0.00 0.00 -1.72 0.00 0.00 55.73 52.90 2gdt s ARG 108 Cb -0.07 -1.25 0.03 0.00 -0.45 0.00 0.00 34.95 33.21 2gdt s ARG 108 CO 0.01 0.29 0.04 0.54 -0.68 0.00 0.00 175.30 175.49 2gdt s ASN 109 N -1.85 0.24 0.29 0.23 4.22 -1.26 -0.40 114.94 116.41 2gdt s ASN 109 Ca 0.04 0.05 -0.05 0.00 -2.14 0.00 0.00 52.86 50.76 2gdt s ASN 109 Cb -0.10 -0.08 -0.01 0.00 1.28 0.00 0.00 41.25 42.35 2gdt s ASN 109 CO 0.04 -0.15 0.42 0.68 -2.04 0.00 0.00 177.10 176.04 2gdt s VAL 110 N 1.26 0.00 0.34 3.54 -7.23 -0.25 -5.01 120.40 113.05 2gdt s VAL 110 Ca -0.07 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 2gdt s VAL 110 Cb -0.13 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2gdt s VAL 110 CO -0.03 0.00 0.21 -0.76 -0.31 0.00 0.00 175.10 174.21 2gdt s LEU 111 N -3.16 3.39 0.11 1.32 2.01 -1.25 -1.04 118.68 120.06 2gdt s LEU 111 Ca 0.30 -0.68 0.10 0.00 0.01 0.00 0.00 54.13 53.86 2gdt s LEU 111 Cb 0.01 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.25 2gdt s LEU 111 CO 0.16 -0.34 -0.25 -0.22 1.01 0.00 0.00 176.35 176.71 2gdt s LEU 112 N -3.91 2.30 0.69 1.79 0.20 0.72 -1.84 118.68 118.61 2gdt s LEU 112 Ca 0.39 -0.71 -0.17 0.00 0.69 0.00 0.00 54.13 54.33 2gdt s LEU 112 Cb -0.04 -1.11 0.01 0.00 -0.43 0.00 0.00 46.19 44.62 2gdt s LEU 112 CO 0.24 0.15 1.24 0.54 -0.29 0.00 0.00 176.35 178.23 2gdt n ARG 113 N 1.06 0.87 -4.10 1.98 1.74 -1.26 -1.10 116.66 115.85 2gdt n ARG 113 Ca -0.18 0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 2gdt n ARG 113 Cb 0.53 -2.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.38 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gdt s LYS 114 N -3.50 0.64 0.00 5.56 1.02 -1.26 -4.74 119.74 117.46 2gdt s LYS 114 Ca 0.80 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.86 2gdt s LYS 114 Cb -0.36 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.61 2gdt s LYS 114 CO 0.43 0.05 0.00 0.09 -0.92 0.00 0.00 175.35 175.00 2gdt n ASN 115 N 1.05 0.00 0.00 2.83 5.03 -1.26 -4.87 115.26 118.04 2gdt n ASN 115 Ca -0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.25 2gdt n ASN 115 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04