#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 -3.75 -4.95 1.61 -0.00 -1.26 -4.92 115.22 101.95 2gdt n HIS 2 Ca 0.00 1.92 -0.27 0.00 -0.00 0.00 0.00 57.72 59.37 2gdt n HIS 2 Cb 0.00 -3.40 -0.16 0.00 -0.00 0.00 0.00 29.99 26.43 2gdt n HIS 2 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2gdt s VAL 3 N -2.86 1.58 0.16 1.59 0.11 -0.41 -4.89 120.40 115.68 2gdt s VAL 3 Ca 0.00 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 2gdt s VAL 3 Cb 0.00 -1.35 -0.07 0.00 -1.53 0.00 0.00 36.38 33.43 2gdt s VAL 3 CO 0.00 0.45 1.02 -1.58 -3.33 0.00 0.00 175.10 171.66 2gdt s GLN 4 N -0.09 4.68 0.07 1.54 0.74 -1.26 0.29 119.66 125.63 2gdt s GLN 4 Ca -0.02 1.57 0.02 0.00 0.05 0.00 0.00 55.36 56.98 2gdt s GLN 4 Cb -0.11 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 2gdt s GLN 4 CO 0.02 0.21 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.39 2gdt s LEU 5 N -0.39 2.36 0.05 3.68 1.43 -0.55 -4.91 118.68 120.35 2gdt s LEU 5 Ca 0.47 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2gdt s LEU 5 Cb -0.26 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 2gdt s LEU 5 CO 0.32 -0.31 -0.09 -0.55 0.23 0.00 0.00 176.35 175.96 2gdt s SER 6 N -2.17 0.98 0.01 2.29 0.15 -1.26 -1.06 113.70 112.64 2gdt s SER 6 Ca -0.01 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2gdt s SER 6 Cb -0.04 0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 2gdt s SER 6 CO -0.02 -0.20 -0.01 -0.76 1.20 0.00 0.00 173.24 173.45 2gdt s LEU 7 N -1.70 2.10 0.18 3.45 1.43 -1.12 -4.95 118.68 118.06 2gdt s LEU 7 Ca -0.08 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 2gdt s LEU 7 Cb -0.09 0.04 -0.10 0.00 0.03 0.00 0.00 46.19 46.07 2gdt s LEU 7 CO 0.00 -0.12 1.50 -2.16 0.23 0.00 0.00 176.35 175.80 2gdt s PRO 8 N -0.58 4.25 -0.29 1.29 0.04 -1.26 -0.46 135.00 137.98 2gdt s PRO 8 Ca -0.06 2.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 2gdt s PRO 8 Cb -0.04 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.35 2gdt s PRO 8 CO -0.00 -0.52 1.08 0.08 0.04 0.00 0.00 177.00 177.67 2gdt s VAL 9 N 0.83 4.54 0.17 -0.36 1.01 0.71 -0.42 120.40 126.88 2gdt s VAL 9 Ca 0.66 1.81 0.08 0.00 0.00 0.00 0.00 61.98 64.53 2gdt s VAL 9 Cb -0.42 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2gdt s VAL 9 CO 0.34 -0.39 -0.08 -0.76 0.00 0.00 0.00 175.10 174.21 2gdt s LEU 10 N 3.54 3.02 0.41 3.92 1.43 -0.27 -1.06 118.68 129.67 2gdt s LEU 10 Ca 0.46 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.80 2gdt s LEU 10 Cb -0.13 -1.72 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 2gdt s LEU 10 CO 0.13 0.11 0.95 -1.10 0.23 0.00 0.00 176.35 176.67 2gdt s GLN 11 N -2.76 4.29 0.57 1.70 -0.21 -1.26 -4.44 119.66 117.54 2gdt s GLN 11 Ca 0.25 1.17 0.26 0.00 0.02 0.00 0.00 55.36 57.06 2gdt s GLN 11 Cb -0.09 -2.30 1.67 0.00 1.00 0.00 0.00 33.01 33.29 2gdt s GLN 11 CO 0.15 0.02 2.22 -0.24 -2.12 0.00 0.00 175.29 175.32 2gdt h VAL 12 N 2.04 0.65 -0.22 1.09 3.04 -1.94 0.16 116.25 121.08 2gdt h VAL 12 Ca -0.49 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.02 2gdt h VAL 12 Cb 1.18 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2gdt h VAL 12 CO 0.62 0.00 -0.58 0.08 -1.01 0.00 0.00 177.57 176.68 2gdt h ARG 13 N 0.00 0.78 -0.15 4.17 0.11 -2.00 -3.33 114.38 113.96 2gdt h ARG 13 Ca 0.01 -0.55 -0.21 0.00 0.10 0.00 0.00 59.98 59.33 2gdt h ARG 13 Cb 0.03 0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.20 2gdt h ARG 13 CO -0.00 1.17 -0.74 -0.44 0.10 0.00 0.00 179.97 180.06 2gdt h ASP 14 N 0.52 0.84 0.00 0.08 3.32 -1.40 -3.31 116.42 116.47 2gdt h ASP 14 Ca -0.01 -0.54 -0.39 0.00 0.02 0.00 0.00 57.03 56.11 2gdt h ASP 14 Cb 1.20 -0.25 0.04 0.00 0.22 0.00 0.00 39.33 40.54 2gdt h ASP 14 CO 0.13 1.32 1.91 0.52 -1.72 0.00 0.00 179.24 181.39 2gdt n VAL 15 N -3.92 1.23 -0.27 -1.35 0.31 -0.46 -4.79 118.33 109.09 2gdt n VAL 15 Ca -0.06 -0.87 0.03 0.00 -0.01 0.00 0.00 64.34 63.43 2gdt n VAL 15 Cb 0.72 -2.00 0.08 0.00 -0.91 0.00 0.00 33.84 31.73 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 6.10 -0.34 -4.32 7.52 4.77 -1.25 -4.05 117.00 125.43 2gdt n LEU 16 Ca 0.35 1.28 -0.37 0.00 -0.03 0.00 0.00 56.01 57.24 2gdt n LEU 16 Cb 0.22 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 2gdt n LEU 16 CO 0.83 -1.20 -0.28 -0.69 -1.33 0.00 0.00 177.39 174.72 2gdt s VAL 17 N -5.86 3.87 -0.67 4.08 1.01 -1.26 -4.98 120.40 116.59 2gdt s VAL 17 Ca -0.11 -0.81 0.16 0.00 0.00 0.00 0.00 61.98 61.22 2gdt s VAL 17 Cb 0.18 -3.04 0.57 0.00 0.00 0.00 0.00 36.38 34.09 2gdt s VAL 17 CO 0.56 0.03 1.48 0.54 0.00 0.00 0.00 175.10 177.71 2gdt n ARG 18 N 4.85 3.37 -4.90 2.72 3.00 -1.26 -4.41 116.66 120.04 2gdt n ARG 18 Ca -0.14 -2.71 -0.33 0.00 -0.01 0.00 0.00 57.85 54.67 2gdt n ARG 18 Cb 0.47 -1.77 -0.14 0.00 0.00 0.00 0.00 32.46 31.02 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 -1.28 1.50 0.33 -0.13 0.00 -1.26 -4.40 107.32 102.08 2gdt s GLY 19 Ca 0.42 -0.94 0.23 0.00 0.00 0.00 0.00 44.72 44.43 2gdt s GLY 19 CO 0.16 -0.47 1.48 0.74 0.00 0.00 0.00 173.10 175.02 2gdt h PHE 20 N 6.12 0.00 0.00 1.90 0.04 -1.88 -3.44 116.94 119.68 2gdt h PHE 20 Ca -0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.43 2gdt h PHE 20 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2gdt h PHE 20 CO 0.49 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.61 2gdt n GLY 21 N 1.17 -1.28 0.01 -1.45 0.00 -1.26 -4.74 105.19 97.64 2gdt n GLY 21 Ca 0.03 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 0.35 1.28 -4.69 1.61 2.03 -1.26 -4.61 116.55 111.24 2gdt n ASP 22 Ca 0.00 -0.17 -0.23 0.00 0.52 0.00 0.00 54.79 54.91 2gdt n ASP 22 Cb 0.00 1.57 -0.07 0.00 -0.72 0.00 0.00 41.12 41.91 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gdt s SER 23 N -3.53 4.69 0.07 1.67 0.01 -1.26 -4.55 113.70 110.80 2gdt s SER 23 Ca -0.03 -0.66 -0.35 0.00 1.31 0.00 0.00 55.95 56.22 2gdt s SER 23 Cb 0.10 -0.86 -0.18 0.00 0.21 0.00 0.00 66.02 65.29 2gdt s SER 23 CO 0.65 -0.11 1.59 0.58 0.41 0.00 0.00 173.24 176.35 2gdt h VAL 24 N 1.72 0.13 -0.41 3.43 2.07 -1.93 -1.90 116.25 119.35 2gdt h VAL 24 Ca -0.44 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 2gdt h VAL 24 Cb 1.25 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2gdt h VAL 24 CO 0.62 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.85 2gdt h GLU 25 N -1.08 0.68 0.47 1.57 5.08 -1.97 -1.13 114.58 118.20 2gdt h GLU 25 Ca -0.09 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2gdt h GLU 25 Cb 0.87 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2gdt h GLU 25 CO 0.10 0.71 -0.50 0.93 -1.00 0.00 0.00 179.01 179.26 2gdt h GLU 26 N 0.64 -0.94 -0.87 2.33 4.39 -1.95 -1.10 114.58 117.07 2gdt h GLU 26 Ca 0.13 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2gdt h GLU 26 Cb 0.43 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 2gdt h GLU 26 CO 0.02 -0.63 0.46 0.00 -1.16 0.00 0.00 179.01 177.70 2gdt h ALA 27 N -0.91 1.12 -0.45 3.43 0.00 -1.12 -1.28 119.26 120.05 2gdt h ALA 27 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gdt h ALA 27 Cb 0.85 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2gdt h ALA 27 CO -0.08 0.64 0.29 1.25 0.00 0.00 0.00 179.25 181.36 2gdt h LEU 28 N 1.23 0.53 0.07 0.00 6.46 -1.04 -0.46 115.31 122.10 2gdt h LEU 28 Ca 0.30 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 2gdt h LEU 28 Cb 0.05 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2gdt h LEU 28 CO -0.05 0.39 -0.04 0.28 -0.62 0.00 0.00 178.44 178.41 2gdt h SER 29 N 0.61 -0.08 -0.84 1.25 0.02 -0.64 -2.52 113.55 111.35 2gdt h SER 29 Ca 0.16 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2gdt h SER 29 Cb -0.06 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2gdt h SER 29 CO -0.03 0.10 0.55 -0.33 -1.14 0.00 0.00 176.83 175.98 2gdt h GLU 30 N -0.27 1.08 0.10 3.45 4.39 -1.17 -0.92 114.58 121.23 2gdt h GLU 30 Ca -0.01 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2gdt h GLU 30 Cb 0.23 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2gdt h GLU 30 CO 0.02 0.72 -0.06 0.00 -1.16 0.00 0.00 179.01 178.53 2gdt h ALA 31 N 1.48 -0.14 -0.57 3.43 0.00 -0.98 0.35 119.26 122.84 2gdt h ALA 31 Ca 0.31 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.30 2gdt h ALA 31 Cb -0.10 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2gdt h ALA 31 CO -0.07 -0.58 0.39 0.00 0.00 0.00 0.00 179.25 178.98 2gdt h ARG 32 N -0.15 0.30 -0.02 0.00 3.08 -0.95 0.24 114.38 116.89 2gdt h ARG 32 Ca -0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2gdt h ARG 32 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2gdt h ARG 32 CO 0.01 0.20 -0.05 0.93 -1.07 0.00 0.00 179.97 179.99 2gdt h GLU 33 N 0.31 0.07 -0.03 0.04 5.08 -0.17 -2.85 114.58 117.03 2gdt h GLU 33 Ca 0.27 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2gdt h GLU 33 Cb 0.63 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2gdt h GLU 33 CO -0.06 0.67 -0.32 0.45 -1.00 0.00 0.00 179.01 178.75 2gdt h HIS 34 N -0.52 0.05 0.00 4.33 3.86 0.22 -0.53 115.15 122.56 2gdt h HIS 34 Ca -0.00 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 2gdt h HIS 34 Cb 0.68 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 2gdt h HIS 34 CO 0.14 0.37 -0.30 -0.07 0.86 0.00 0.00 177.93 178.93 2gdt h LEU 35 N 0.04 0.00 -0.03 2.43 3.38 -1.03 0.14 115.31 120.25 2gdt h LEU 35 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gdt h LEU 35 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gdt h LEU 35 CO 0.04 0.30 -0.03 0.50 0.09 0.00 0.00 178.44 179.34 2gdt h LYS 36 N 0.00 0.07 -0.15 1.13 3.11 -0.87 -3.35 116.57 116.51 2gdt h LYS 36 Ca -0.00 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 2gdt h LYS 36 Cb 0.70 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.93 2gdt h LYS 36 CO 0.04 0.56 0.06 -0.91 -2.81 0.00 0.00 179.45 176.39 2gdt h ASN 37 N -0.41 0.20 0.00 4.20 2.35 -1.07 -3.47 115.58 117.38 2gdt h ASN 37 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2gdt h ASN 37 Cb 0.55 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2gdt h ASN 37 CO 0.01 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 2gdt n GLY 38 N -0.72 1.39 1.66 2.83 0.00 0.38 -5.04 105.19 105.68 2gdt n GLY 38 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2gdt n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gdt n THR 39 N 0.00 2.31 -4.23 2.61 -2.24 -0.56 -4.82 114.28 107.35 2gdt n THR 39 Ca 0.00 -0.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.64 2gdt n THR 39 Cb 0.00 -1.42 -0.15 0.00 -2.10 0.00 0.00 70.33 66.66 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 3.01 3.47 3.23 0.00 0.00 0.03 -4.34 105.19 110.58 2gdt n GLY 41 Ca -0.14 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.58 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 2.21 -0.13 0.99 2.96 0.44 -1.42 118.68 123.73 2gdt s LEU 42 Ca 0.15 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2gdt s LEU 42 Cb 0.01 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.86 2gdt s LEU 42 CO 0.10 0.09 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.33 2gdt s VAL 43 N -0.93 2.32 0.08 1.68 1.01 0.30 -1.11 120.40 123.75 2gdt s VAL 43 Ca 0.05 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.81 2gdt s VAL 43 Cb -0.09 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 2gdt s VAL 43 CO 0.02 0.54 1.61 -1.61 0.00 0.00 0.00 175.10 175.66 2gdt s GLU 44 N 0.59 4.21 0.09 2.72 2.02 -1.26 -1.15 118.70 125.91 2gdt s GLU 44 Ca -0.11 2.30 -0.31 0.00 0.02 0.00 0.00 54.97 56.87 2gdt s GLU 44 Cb -0.16 -3.50 -0.07 0.00 0.10 0.00 0.00 34.13 30.50 2gdt s GLU 44 CO 0.03 -0.69 1.29 -0.51 0.02 0.00 0.00 175.26 175.40 2gdt s LEU 45 N 2.28 4.37 0.18 1.80 1.43 -1.26 -4.89 118.68 122.58 2gdt s LEU 45 Ca 0.72 2.16 -0.04 0.00 -1.03 0.00 0.00 54.13 55.94 2gdt s LEU 45 Cb -0.40 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2gdt s LEU 45 CO 0.32 -0.55 0.19 -1.61 0.23 0.00 0.00 176.35 174.92 2gdt s GLU 46 N 1.06 1.15 0.40 1.70 2.02 -1.26 -5.04 118.70 118.72 2gdt s GLU 46 Ca 0.61 -1.41 0.28 0.00 0.02 0.00 0.00 54.97 54.47 2gdt s GLU 46 Cb -0.33 0.31 1.34 0.00 0.10 0.00 0.00 34.13 35.55 2gdt s GLU 46 CO 0.30 -0.39 1.85 -0.22 0.02 0.00 0.00 175.26 176.82 2gdt h LYS 47 N 2.63 0.00 -0.46 1.61 3.64 -2.02 -1.95 116.57 120.02 2gdt h LYS 47 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2gdt h LYS 47 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2gdt h LYS 47 CO 0.51 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.10 2gdt n GLY 48 N -0.56 1.39 0.10 5.01 0.00 -1.26 -4.56 105.19 105.30 2gdt n GLY 48 Ca -0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 3.27 0.73 -0.82 1.61 2.07 -1.73 -3.39 116.25 117.99 2gdt h VAL 49 Ca 0.00 -1.91 0.14 0.00 0.82 0.00 0.00 66.70 65.75 2gdt h VAL 49 Cb 0.74 1.75 -0.15 0.00 -1.52 0.00 0.00 31.29 32.11 2gdt h VAL 49 CO 0.00 0.25 -0.31 -0.07 0.02 0.00 0.00 177.57 177.46 2gdt h LEU 50 N -1.00 -1.12 -3.38 2.57 3.38 -1.80 -1.98 115.31 111.97 2gdt h LEU 50 Ca -0.26 0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2gdt h LEU 50 Cb 1.11 0.62 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 2gdt h LEU 50 CO -0.16 -0.29 0.08 -0.81 0.09 0.00 0.00 178.44 177.35 2gdt n PRO 51 N -5.49 1.46 0.00 1.13 -0.04 -1.26 -2.30 135.00 128.50 2gdt n PRO 51 Ca 0.09 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 2gdt n PRO 51 Cb 0.40 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.30 1.65 -1.86 0.54 6.02 -0.77 -5.12 117.38 119.14 2gdt n GLN 52 Ca 0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.88 2gdt n GLN 52 Cb 0.59 -0.27 0.13 0.00 1.02 0.00 0.00 30.24 31.71 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 -0.49 2.50 0.00 1.08 2.01 -0.97 -4.91 118.68 117.89 2gdt s LEU 53 Ca 0.00 0.60 0.00 0.00 0.01 0.00 0.00 54.13 54.74 2gdt s LEU 53 Cb 0.00 -2.89 0.00 0.00 0.01 0.00 0.00 46.19 43.31 2gdt s LEU 53 CO 0.00 -2.32 0.19 -0.62 1.01 0.00 0.00 176.35 174.61 2gdt n GLU 54 N -3.56 0.00 0.11 1.70 -0.58 -1.26 -5.02 120.64 112.02 2gdt n GLU 54 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2gdt n GLU 54 Cb 0.60 -0.66 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 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 -0.44 0.00 -2.22 3.49 6.02 -1.26 -5.03 117.38 117.94 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 -2.00 2.89 -0.63 -1.09 0.04 -1.26 -4.11 135.00 128.83 2gdt s PRO 56 Ca 0.00 -0.40 -0.28 0.00 0.04 0.00 0.00 61.00 60.36 2gdt s PRO 56 Cb 0.00 -5.00 0.02 0.00 0.04 0.00 0.00 34.50 29.56 2gdt s PRO 56 CO 0.00 -2.90 1.30 0.71 0.04 0.00 0.00 177.00 176.15 2gdt s TYR 57 N 8.29 2.38 -0.64 0.56 2.02 -0.01 -4.79 117.35 125.17 2gdt s TYR 57 Ca 0.61 0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 57.31 2gdt s TYR 57 Cb -0.06 -4.52 0.01 0.00 -0.40 0.00 0.00 41.96 37.00 2gdt s TYR 57 CO 0.00 -1.88 1.50 0.08 -1.57 0.00 0.00 175.55 173.68 2gdt s VAL 58 N 5.64 3.64 0.55 0.71 1.01 -1.26 -2.86 120.40 127.82 2gdt s VAL 58 Ca 0.43 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 2gdt s VAL 58 Cb -0.09 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.86 2gdt s VAL 58 CO 0.21 -1.33 0.79 -0.36 0.00 0.00 0.00 175.10 174.41 2gdt s PHE 59 N 6.79 2.95 -0.08 5.22 0.08 0.66 -0.26 117.98 133.34 2gdt s PHE 59 Ca 0.51 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.69 2gdt s PHE 59 Cb -0.10 -2.73 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 2gdt s PHE 59 CO 0.20 -0.84 -0.17 0.96 -0.10 0.00 0.00 175.22 175.27 2gdt s ILE 60 N -2.79 1.49 0.13 0.64 -4.36 -0.99 -1.69 121.20 113.64 2gdt s ILE 60 Ca 0.56 -0.69 0.11 0.00 -0.26 0.00 0.00 60.65 60.37 2gdt s ILE 60 Cb -0.10 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 2gdt s ILE 60 CO 0.39 0.43 -0.27 -1.59 0.24 0.00 0.00 174.94 174.15 2gdt s LYS 61 N 0.53 1.41 0.00 0.37 -2.85 -0.93 -1.10 119.74 117.17 2gdt s LYS 61 Ca -0.16 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 2gdt s LYS 61 Cb -0.17 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2gdt s LYS 61 CO 0.06 0.45 1.22 2.89 0.10 0.00 0.00 175.35 180.06 2gdt n ARG 62 N 0.86 0.79 0.00 1.78 1.85 -0.68 -0.47 116.66 120.80 2gdt n ARG 62 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2gdt n ARG 62 Cb 0.53 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 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 1.15 0.00 -0.64 2.89 2.88 -1.25 -4.63 113.62 114.01 2gdt n SER 63 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2gdt n SER 63 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.91 -5.12 -1.61 -3.46 2.03 -1.26 -4.84 116.55 103.20 2gdt n ASP 64 Ca 0.00 0.19 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 2gdt n ASP 64 Cb 0.00 -3.66 0.08 0.00 -0.72 0.00 0.00 41.12 36.82 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 0.98 3.21 0.00 -1.67 0.00 -1.26 -4.74 120.51 117.02 2gdt n ALA 65 Ca -0.08 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.42 2gdt n ALA 65 Cb 0.51 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.38 0.00 -3.21 0.00 4.77 -1.26 -5.08 117.00 111.85 2gdt n LEU 66 Ca 0.16 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 2gdt n LEU 66 Cb 0.92 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.08 2gdt n LEU 66 CO 0.06 0.00 0.05 -0.24 -1.33 0.00 0.00 177.39 175.93 2gdt n SER 67 N -1.35 -5.12 0.27 -1.43 2.88 -1.26 -4.91 113.62 102.70 2gdt n SER 67 Ca 0.00 -0.65 0.18 0.00 -1.33 0.00 0.00 58.87 57.07 2gdt n SER 67 Cb 0.00 -4.96 0.97 0.00 -0.75 0.00 0.00 64.21 59.47 2gdt n SER 67 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2gdt h THR 68 N -1.26 0.00 -6.93 2.46 1.35 -1.98 -3.46 112.91 103.10 2gdt h THR 68 Ca -0.57 -0.03 -0.44 0.00 -0.55 0.00 0.00 66.41 64.82 2gdt h THR 68 Cb 1.30 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2gdt h THR 68 CO 0.43 0.00 -0.79 -3.20 -0.25 0.00 0.00 175.52 171.72 2gdt n ASN 69 N -2.78 -3.20 -0.27 5.36 2.85 -1.26 -4.38 115.26 111.58 2gdt n ASN 69 Ca -0.02 -0.94 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 2gdt n ASN 69 Cb 0.07 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 39.90 2gdt n ASN 69 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2gdt n HIS 70 N -3.64 0.00 0.00 1.20 -0.00 -1.26 -5.08 115.22 106.44 2gdt n HIS 70 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 2gdt n HIS 70 Cb 0.45 -0.63 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 2gdt n HIS 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2gdt n GLY 71 N 2.06 -0.28 3.48 1.57 0.00 -1.26 -5.12 105.19 105.64 2gdt n GLY 71 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2gdt n GLY 71 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gdt s HIS 72 N 0.00 2.09 -0.51 1.61 3.76 -1.26 -5.11 115.29 115.87 2gdt s HIS 72 Ca 0.00 -0.80 0.05 0.00 -0.15 0.00 0.00 55.06 54.16 2gdt s HIS 72 Cb 0.00 -1.33 0.18 0.00 1.11 0.00 0.00 32.58 32.53 2gdt s HIS 72 CO 0.00 0.21 0.42 1.63 -0.85 0.00 0.00 174.74 176.15 2gdt n LYS 73 N -0.71 0.84 -0.96 1.40 5.02 -1.26 -4.85 118.16 117.64 2gdt n LYS 73 Ca -0.04 -3.66 -0.31 0.00 -2.02 0.00 0.00 58.31 52.28 2gdt n LYS 73 Cb 0.66 -1.86 0.13 0.00 -0.02 0.00 0.00 35.03 33.94 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 -0.62 2.64 0.28 -0.18 -7.23 -1.26 -4.27 120.40 109.75 2gdt s VAL 74 Ca 0.31 0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 2gdt s VAL 74 Cb 0.03 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2gdt s VAL 74 CO -0.18 -0.27 0.16 0.68 -0.31 0.00 0.00 175.10 175.18 2gdt s VAL 75 N -2.77 0.23 0.09 1.32 -7.23 -0.86 -3.93 120.40 107.26 2gdt s VAL 75 Ca 0.64 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2gdt s VAL 75 Cb -0.20 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2gdt s VAL 75 CO 0.57 0.00 0.05 -1.83 -0.31 0.00 0.00 175.10 173.58 2gdt s GLU 76 N -3.88 0.80 -0.17 4.82 -1.05 0.38 -4.24 118.70 115.36 2gdt s GLU 76 Ca 0.37 -1.28 -0.19 0.00 -0.15 0.00 0.00 54.97 53.72 2gdt s GLU 76 Cb 0.05 0.25 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2gdt s GLU 76 CO 0.17 -0.21 0.53 -0.51 0.95 0.00 0.00 175.26 176.19 2gdt s LEU 77 N -2.97 4.19 0.05 1.83 1.43 -1.26 -2.18 118.68 119.76 2gdt s LEU 77 Ca 0.15 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2gdt s LEU 77 Cb 0.07 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2gdt s LEU 77 CO -0.05 -0.14 0.14 -0.69 0.23 0.00 0.00 176.35 175.85 2gdt s VAL 78 N 1.37 0.13 0.11 -1.59 1.01 -0.68 -5.02 120.40 115.74 2gdt s VAL 78 Ca 0.26 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2gdt s VAL 78 Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2gdt s VAL 78 CO 0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 175.10 174.58 2gdt s ALA 79 N -2.92 0.97 -0.28 5.51 0.00 -1.26 -0.25 121.76 123.53 2gdt s ALA 79 Ca -0.02 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.33 2gdt s ALA 79 Cb 0.01 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.60 2gdt s ALA 79 CO -0.06 -0.32 0.81 -1.21 0.00 0.00 0.00 175.76 174.98 2gdt s GLU 80 N -3.90 0.66 -0.19 0.00 0.41 -1.14 -4.95 118.70 109.60 2gdt s GLU 80 Ca 0.16 0.95 0.18 0.00 -0.41 0.00 0.00 54.97 55.85 2gdt s GLU 80 Cb 0.06 0.24 -0.25 0.00 -1.78 0.00 0.00 34.13 32.40 2gdt s GLU 80 CO -0.03 -0.11 0.09 0.00 -0.49 0.00 0.00 175.26 174.73 2gdt n MET 81 N 3.31 0.75 -0.05 1.61 0.00 -1.26 -0.83 117.12 120.65 2gdt n MET 81 Ca -0.16 -0.02 0.07 0.00 0.00 0.00 0.00 57.70 57.59 2gdt n MET 81 Cb 0.57 -1.51 0.09 0.00 0.00 0.00 0.00 33.22 32.37 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 -2.71 2.42 -1.92 3.17 2.03 -1.26 -4.52 116.55 113.77 2gdt n ASP 82 Ca -0.31 -1.69 -0.19 0.00 0.52 0.00 0.00 54.79 53.13 2gdt n ASP 82 Cb 1.11 -0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 41.41 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 0.80 0.25 0.09 0.27 0.00 -1.26 -4.86 105.19 100.48 2gdt n GLY 83 Ca 0.10 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.56 -0.11 0.00 -0.61 5.41 -1.26 -2.39 119.36 116.84 2gdt n ILE 84 Ca -0.21 0.60 0.00 0.00 1.00 0.00 0.00 62.75 64.14 2gdt n ILE 84 Cb 0.65 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 2gdt n ILE 84 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2gdt n GLN 85 N -4.36 0.00 -0.12 0.38 -0.06 -1.26 -4.89 117.38 107.08 2gdt n GLN 85 Ca 0.05 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.97 2gdt n GLN 85 Cb 0.15 -0.09 0.00 0.00 -4.06 0.00 0.00 30.24 26.24 2gdt n GLN 85 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 2gdt h TYR 86 N 0.00 0.43 0.00 3.69 0.05 -1.99 -3.02 116.97 116.13 2gdt h TYR 86 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2gdt h TYR 86 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.60 2gdt h TYR 86 CO 0.00 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.78 2gdt n GLY 87 N -1.20 1.13 0.00 3.88 0.00 -1.00 -2.44 105.19 105.55 2gdt n GLY 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.15 0.00 -4.42 1.61 0.63 -1.14 -4.93 116.66 109.56 2gdt n ARG 88 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2gdt n ARG 88 Cb 0.23 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.04 2gdt n ARG 88 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2gdt s SER 89 N 0.00 3.04 0.42 6.15 0.01 -1.02 -5.04 113.70 117.26 2gdt s SER 89 Ca 0.00 -1.06 0.23 0.00 1.31 0.00 0.00 55.95 56.43 2gdt s SER 89 Cb 0.00 -0.21 0.67 0.00 0.21 0.00 0.00 66.02 66.69 2gdt s SER 89 CO 0.00 -0.13 1.72 1.23 0.41 0.00 0.00 173.24 176.47 2gdt h GLY 90 N 2.37 0.00 2.00 3.44 0.00 -1.94 -2.76 103.07 106.19 2gdt h GLY 90 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2gdt h GLY 90 CO 0.63 0.00 -0.12 1.19 0.00 0.00 0.00 176.54 178.24 2gdt h ILE 91 N 0.00 0.54 -3.54 2.60 2.10 -1.96 -3.44 117.51 113.81 2gdt h ILE 91 Ca -0.00 -0.56 -0.64 0.00 1.08 0.00 0.00 64.86 64.74 2gdt h ILE 91 Cb 0.91 1.37 -0.20 0.00 -1.09 0.00 0.00 36.82 37.81 2gdt h ILE 91 CO 0.03 0.12 -0.60 -0.89 -1.08 0.00 0.00 178.15 175.73 2gdt s THR 92 N -4.14 4.55 -0.20 2.19 2.01 -1.04 -1.68 115.64 117.32 2gdt s THR 92 Ca -0.03 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.89 2gdt s THR 92 Cb 0.13 -3.10 -0.21 0.00 0.01 0.00 0.00 72.50 69.33 2gdt s THR 92 CO 0.58 0.38 0.01 0.18 -0.69 0.00 0.00 174.62 175.08 2gdt n LEU 93 N 4.42 2.47 0.00 4.42 7.99 -0.26 -4.84 117.00 131.20 2gdt n LEU 93 Ca -0.16 -0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.82 2gdt n LEU 93 Cb 0.52 -0.77 0.01 0.00 -0.11 0.00 0.00 43.42 43.07 2gdt n LEU 93 CO 0.33 0.84 0.20 0.61 -1.51 0.00 0.00 177.39 177.86 2gdt n GLY 94 N 2.10 1.44 3.78 -0.72 0.00 -1.26 -4.21 105.19 106.32 2gdt n GLY 94 Ca -0.39 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.60 4.27 0.05 1.61 1.01 -0.30 -2.35 120.40 122.08 2gdt s VAL 95 Ca 0.06 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 60.68 2gdt s VAL 95 Cb -0.01 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2gdt s VAL 95 CO 0.03 -0.28 -0.08 -0.76 0.00 0.00 0.00 175.10 174.00 2gdt s LEU 96 N -3.60 3.11 0.06 3.92 1.43 0.65 -0.54 118.68 123.71 2gdt s LEU 96 Ca 0.32 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2gdt s LEU 96 Cb -0.08 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2gdt s LEU 96 CO 0.23 0.23 0.07 0.68 0.23 0.00 0.00 176.35 177.80 2gdt s VAL 97 N -1.10 0.18 0.05 -1.59 -7.23 -0.51 -4.48 120.40 105.72 2gdt s VAL 97 Ca 0.19 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 2gdt s VAL 97 Cb -0.11 -1.34 -0.07 0.00 0.56 0.00 0.00 36.38 35.41 2gdt s VAL 97 CO 0.11 -0.80 1.58 -2.16 -0.31 0.00 0.00 175.10 173.51 2gdt s PRO 98 N -3.67 4.22 -0.04 4.82 0.05 -1.26 -0.79 135.00 138.32 2gdt s PRO 98 Ca 0.04 2.22 -0.28 0.00 0.05 0.00 0.00 61.00 63.04 2gdt s PRO 98 Cb 0.05 -3.59 -0.03 0.00 0.05 0.00 0.00 34.50 30.98 2gdt s PRO 98 CO -0.09 -0.69 0.88 -1.58 0.05 0.00 0.00 177.00 175.57 2gdt s HIS 99 N 2.57 3.60 -0.26 0.56 2.46 -0.07 -4.62 115.29 119.52 2gdt s HIS 99 Ca 0.71 1.51 0.15 0.00 0.47 0.00 0.00 55.06 57.91 2gdt s HIS 99 Cb -0.37 -3.02 0.48 0.00 -0.13 0.00 0.00 32.58 29.54 2gdt s HIS 99 CO 0.30 -0.02 1.15 1.33 -2.47 0.00 0.00 174.74 175.04 2gdt n VAL 100 N 3.99 1.84 -3.54 0.89 0.24 -1.26 -4.33 118.33 116.17 2gdt n VAL 100 Ca 0.04 -3.47 -0.21 0.00 -2.04 0.00 0.00 64.34 58.66 2gdt n VAL 100 Cb 0.51 0.12 0.08 0.00 -1.47 0.00 0.00 33.84 33.07 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 -0.63 -0.44 0.00 7.63 0.00 -1.26 -5.00 105.19 105.48 2gdt n GLY 101 Ca 0.25 0.17 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 1.18 0.00 0.00 0.00 173.32 174.50 2gdt n GLU 102 N -4.55 0.00 -3.28 1.61 -0.58 -1.26 -5.06 120.64 107.51 2gdt n GLU 102 Ca -0.15 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.54 2gdt n GLU 102 Cb 0.62 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.43 2gdt n GLU 102 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2gdt s THR 103 N 0.13 -0.72 0.52 2.62 2.01 -1.26 -5.14 115.64 113.79 2gdt s THR 103 Ca 0.00 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 2gdt s THR 103 Cb 0.00 -0.90 -0.07 0.00 0.01 0.00 0.00 72.50 71.55 2gdt s THR 103 CO 0.00 -0.11 1.12 -2.84 -0.69 0.00 0.00 174.62 172.10 2gdt s PRO 104 N 2.64 3.50 -0.11 4.92 0.02 -1.26 -4.43 135.00 140.28 2gdt s PRO 104 Ca 0.14 1.61 0.11 0.00 0.02 0.00 0.00 61.00 62.88 2gdt s PRO 104 Cb -0.15 -2.10 -0.24 0.00 0.02 0.00 0.00 34.50 32.04 2gdt s PRO 104 CO -0.20 -0.73 0.41 0.44 -0.33 0.00 0.00 177.00 176.59 2gdt n ILE 105 N -1.08 1.57 -3.68 2.83 -0.00 -0.23 -5.00 119.36 113.77 2gdt n ILE 105 Ca 0.10 -0.78 -0.08 0.00 -0.00 0.00 0.00 62.75 62.00 2gdt n ILE 105 Cb 0.51 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.14 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 -2.71 -0.85 -2.44 -1.28 0.00 -1.21 -5.03 120.51 106.98 2gdt n ALA 106 Ca -0.25 -0.97 -0.22 0.00 0.00 0.00 0.00 53.44 52.00 2gdt n ALA 106 Cb 1.08 0.78 -0.11 0.00 0.00 0.00 0.00 19.45 21.19 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 -4.02 1.87 -0.34 0.00 1.51 -1.26 -0.21 117.35 114.90 2gdt s TYR 107 Ca 0.14 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2gdt s TYR 107 Cb -0.02 -0.92 0.10 0.00 -0.11 0.00 0.00 41.96 41.01 2gdt s TYR 107 CO 0.11 0.36 0.10 0.50 -1.11 0.00 0.00 175.55 175.51 2gdt s ARG 108 N -2.89 1.03 0.49 -0.62 6.06 0.39 -4.78 118.95 118.63 2gdt s ARG 108 Ca 0.17 -1.44 -0.23 0.00 -2.50 0.00 0.00 55.73 51.73 2gdt s ARG 108 Cb -0.05 -2.42 -0.06 0.00 0.06 0.00 0.00 34.95 32.47 2gdt s ARG 108 CO 0.07 -0.99 1.30 0.54 -2.50 0.00 0.00 175.30 173.72 2gdt s ASN 109 N 1.23 5.71 0.33 -2.12 2.20 -1.26 -2.80 114.94 118.23 2gdt s ASN 109 Ca 0.11 2.64 -0.11 0.00 -0.94 0.00 0.00 52.86 54.56 2gdt s ASN 109 Cb -0.19 -2.63 0.02 0.00 -2.00 0.00 0.00 41.25 36.45 2gdt s ASN 109 CO -0.17 -1.26 0.60 0.68 -2.94 0.00 0.00 177.10 174.02 2gdt s VAL 110 N -1.35 0.00 0.26 3.54 -7.23 -0.22 -4.98 120.40 110.42 2gdt s VAL 110 Ca 0.66 -1.31 0.08 0.00 -1.81 0.00 0.00 61.98 59.61 2gdt s VAL 110 Cb -0.37 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2gdt s VAL 110 CO 0.45 0.00 0.15 -0.76 -0.31 0.00 0.00 175.10 174.63 2gdt s LEU 111 N -3.11 3.61 0.09 1.32 2.01 -1.26 -1.48 118.68 119.86 2gdt s LEU 111 Ca 0.22 -0.40 0.05 0.00 0.01 0.00 0.00 54.13 54.01 2gdt s LEU 111 Cb -0.03 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.99 2gdt s LEU 111 CO 0.14 -0.06 -0.01 -0.22 1.01 0.00 0.00 176.35 177.21 2gdt s LEU 112 N -3.81 3.42 0.43 1.79 0.20 0.14 -2.02 118.68 118.84 2gdt s LEU 112 Ca 0.33 -0.20 -0.24 0.00 0.69 0.00 0.00 54.13 54.71 2gdt s LEU 112 Cb -0.07 -2.16 -0.08 0.00 -0.43 0.00 0.00 46.19 43.45 2gdt s LEU 112 CO 0.24 0.17 1.19 -0.13 -0.29 0.00 0.00 176.35 177.53 2gdt s ARG 113 N -2.31 3.87 -0.11 1.98 0.52 -1.26 -1.29 118.95 120.35 2gdt s ARG 113 Ca 0.25 1.86 0.03 0.00 -0.52 0.00 0.00 55.73 57.36 2gdt s ARG 113 Cb -0.12 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.82 2gdt s ARG 113 CO 0.18 -0.48 -0.21 0.15 0.02 0.00 0.00 175.30 174.95 2gdt s LYS 114 N -2.50 2.81 -0.02 3.54 1.02 -1.26 -4.75 119.74 118.58 2gdt s LYS 114 Ca 0.61 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.67 2gdt s LYS 114 Cb -0.31 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 34.73 2gdt s LYS 114 CO 0.38 0.09 0.69 -0.91 -0.92 0.00 0.00 175.35 174.69 2gdt h ASN 115 N 6.96 -0.43 0.00 2.83 2.35 -2.02 -3.46 115.58 121.81 2gdt h ASN 115 Ca -0.25 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2gdt h ASN 115 Cb 1.22 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2gdt h ASN 115 CO 0.49 -0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.77