#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 0.00 -5.02 1.61 -0.00 -1.26 -4.76 115.22 105.78 2gdt n HIS 2 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 2gdt n HIS 2 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 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 -2.01 1.82 0.50 1.59 -7.23 -0.92 -4.96 120.40 109.18 2gdt s VAL 3 Ca 0.00 -0.87 -0.20 0.00 -1.81 0.00 0.00 61.98 59.10 2gdt s VAL 3 Cb 0.00 -1.59 -0.08 0.00 0.56 0.00 0.00 36.38 35.27 2gdt s VAL 3 CO 0.00 0.51 1.04 -1.58 -0.31 0.00 0.00 175.10 174.76 2gdt s GLN 4 N 0.46 3.74 0.06 4.82 0.74 -1.26 -0.26 119.66 127.96 2gdt s GLN 4 Ca -0.17 1.34 -0.06 0.00 0.05 0.00 0.00 55.36 56.52 2gdt s GLN 4 Cb -0.17 -2.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.83 2gdt s GLN 4 CO 0.07 -0.48 0.10 -0.51 -0.55 0.00 0.00 175.29 173.92 2gdt s LEU 5 N -3.62 1.85 -0.05 3.68 1.43 0.03 -4.85 118.68 117.14 2gdt s LEU 5 Ca 0.67 -0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2gdt s LEU 5 Cb -0.16 0.66 0.03 0.00 0.03 0.00 0.00 46.19 46.75 2gdt s LEU 5 CO 0.22 -0.62 0.11 -0.44 0.23 0.00 0.00 176.35 175.85 2gdt s SER 6 N -2.65 -0.08 0.15 2.29 0.01 -1.26 -1.25 113.70 110.90 2gdt s SER 6 Ca 0.03 0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.62 2gdt s SER 6 Cb 0.04 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.37 2gdt s SER 6 CO -0.09 -0.12 -0.25 -0.76 0.41 0.00 0.00 173.24 172.43 2gdt s LEU 7 N 0.91 2.36 0.34 2.44 1.43 0.15 -4.97 118.68 121.33 2gdt s LEU 7 Ca -0.07 -0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 51.97 2gdt s LEU 7 Cb -0.09 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.88 2gdt s LEU 7 CO -0.04 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.65 2gdt s PRO 8 N -2.26 4.37 -0.47 1.29 0.04 -1.26 -0.63 135.00 136.08 2gdt s PRO 8 Ca 0.15 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 2gdt s PRO 8 Cb -0.09 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.57 2gdt s PRO 8 CO 0.07 -0.04 0.56 0.08 0.04 0.00 0.00 177.00 177.71 2gdt s VAL 9 N -1.31 4.95 0.63 -0.36 1.01 0.64 -0.61 120.40 125.36 2gdt s VAL 9 Ca 0.51 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2gdt s VAL 9 Cb -0.31 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 31.97 2gdt s VAL 9 CO 0.39 -0.65 0.87 -0.76 0.00 0.00 0.00 175.10 174.95 2gdt s LEU 10 N 2.45 3.07 0.02 3.92 1.43 0.04 -1.24 118.68 128.37 2gdt s LEU 10 Ca 0.15 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2gdt s LEU 10 Cb -0.18 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2gdt s LEU 10 CO 0.13 -1.55 0.08 -1.10 0.23 0.00 0.00 176.35 174.14 2gdt s GLN 11 N -4.86 3.01 0.60 1.70 -0.21 -1.26 -4.51 119.66 114.13 2gdt s GLN 11 Ca 0.64 -0.55 0.30 0.00 0.02 0.00 0.00 55.36 55.77 2gdt s GLN 11 Cb -0.06 -2.82 1.73 0.00 1.00 0.00 0.00 33.01 32.86 2gdt s GLN 11 CO 0.41 0.62 2.13 -0.24 -2.12 0.00 0.00 175.29 176.09 2gdt h VAL 12 N 2.99 0.42 0.10 1.09 3.04 -1.94 -0.73 116.25 121.22 2gdt h VAL 12 Ca -0.48 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 64.93 2gdt h VAL 12 Cb 1.18 0.86 0.02 0.00 -2.01 0.00 0.00 31.29 31.33 2gdt h VAL 12 CO 0.64 0.00 -1.18 0.08 -1.01 0.00 0.00 177.57 176.10 2gdt h ARG 13 N 0.00 0.52 0.08 4.17 0.11 -1.99 -3.33 114.38 113.94 2gdt h ARG 13 Ca 0.07 -0.69 -0.25 0.00 0.10 0.00 0.00 59.98 59.20 2gdt h ARG 13 Cb 0.41 0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.72 2gdt h ARG 13 CO -0.00 1.30 -1.13 -0.44 0.10 0.00 0.00 179.97 179.80 2gdt h ASP 14 N 0.24 0.40 0.00 0.08 5.19 -1.60 -3.34 116.42 117.38 2gdt h ASP 14 Ca -0.16 -0.39 -0.40 0.00 -0.62 0.00 0.00 57.03 55.46 2gdt h ASP 14 Cb 1.85 -0.13 0.03 0.00 0.18 0.00 0.00 39.33 41.27 2gdt h ASP 14 CO 0.22 1.27 2.17 0.52 -3.12 0.00 0.00 179.24 180.29 2gdt n VAL 15 N -3.58 1.68 -0.42 -1.35 0.31 -0.41 -4.77 118.33 109.79 2gdt n VAL 15 Ca -0.07 -1.14 0.34 0.00 -0.01 0.00 0.00 64.34 63.46 2gdt n VAL 15 Cb 0.96 -2.06 0.55 0.00 -0.91 0.00 0.00 33.84 32.37 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 5.56 0.10 -3.80 7.52 4.77 -1.26 -4.04 117.00 125.86 2gdt n LEU 16 Ca 0.38 0.93 -0.23 0.00 -0.03 0.00 0.00 56.01 57.06 2gdt n LEU 16 Cb 0.20 -0.46 -0.17 0.00 -2.33 0.00 0.00 43.42 40.66 2gdt n LEU 16 CO 0.80 -0.99 -0.39 0.68 -1.33 0.00 0.00 177.39 176.16 2gdt s VAL 17 N -4.67 0.48 -1.15 4.08 -7.23 -1.26 -5.04 120.40 105.61 2gdt s VAL 17 Ca -0.05 0.05 0.12 0.00 -1.81 0.00 0.00 61.98 60.29 2gdt s VAL 17 Cb 0.22 -0.61 0.27 0.00 0.56 0.00 0.00 36.38 36.83 2gdt s VAL 17 CO 0.64 0.27 1.18 0.54 -0.31 0.00 0.00 175.10 177.42 2gdt n ARG 18 N 5.05 2.30 -3.89 4.82 3.00 -1.26 -4.44 116.66 122.25 2gdt n ARG 18 Ca -0.09 -1.88 -0.30 0.00 -0.01 0.00 0.00 57.85 55.57 2gdt n ARG 18 Cb 0.50 -1.28 -0.14 0.00 0.00 0.00 0.00 32.46 31.54 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 -1.00 1.84 0.62 -0.13 0.00 -1.26 -4.70 107.32 102.68 2gdt s GLY 19 Ca 0.23 -2.55 0.32 0.00 0.00 0.00 0.00 44.72 42.72 2gdt s GLY 19 CO 0.17 1.20 2.15 0.74 0.00 0.00 0.00 173.10 177.36 2gdt h PHE 20 N 7.28 0.00 -3.25 1.90 0.04 -1.88 -3.44 116.94 117.59 2gdt h PHE 20 Ca -0.06 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 2gdt h PHE 20 Cb 0.97 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 2gdt h PHE 20 CO 0.46 0.00 0.18 0.20 -0.60 0.00 0.00 178.31 178.55 2gdt s GLY 21 N -4.01 0.67 0.00 -1.45 0.00 -1.26 -4.68 107.32 96.60 2gdt s GLY 21 Ca -0.05 -0.97 0.13 0.00 0.00 0.00 0.00 44.72 43.84 2gdt s GLY 21 CO 0.48 -0.48 1.06 1.34 0.00 0.00 0.00 173.10 175.50 2gdt n ASP 22 N -1.53 2.48 -4.34 1.64 2.03 -1.26 -4.74 116.55 110.84 2gdt n ASP 22 Ca -0.07 -1.72 -0.24 0.00 0.52 0.00 0.00 54.79 53.28 2gdt n ASP 22 Cb 0.60 -0.11 -0.12 0.00 -0.72 0.00 0.00 41.12 40.78 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 -1.06 2.80 0.23 1.67 0.01 -1.26 -4.89 113.70 111.20 2gdt s SER 23 Ca 0.20 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 2gdt s SER 23 Cb 0.12 -0.17 0.24 0.00 0.21 0.00 0.00 66.02 66.42 2gdt s SER 23 CO 0.17 0.03 1.89 1.62 0.41 0.00 0.00 173.24 177.36 2gdt h VAL 24 N 3.51 1.17 0.00 3.43 3.04 -1.91 -0.47 116.25 125.02 2gdt h VAL 24 Ca -0.44 -0.38 -0.05 0.00 -1.01 0.00 0.00 66.70 64.81 2gdt h VAL 24 Cb 1.20 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2gdt h VAL 24 CO 0.47 0.20 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.65 2gdt h GLU 25 N 1.11 0.00 0.17 4.17 5.08 -1.98 -0.03 114.58 123.10 2gdt h GLU 25 Ca 0.33 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2gdt h GLU 25 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2gdt h GLU 25 CO -0.10 0.25 -0.08 0.93 -1.00 0.00 0.00 179.01 179.01 2gdt h GLU 26 N 0.00 -0.22 -0.84 2.33 5.08 -1.93 -3.35 114.58 115.65 2gdt h GLU 26 Ca -0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2gdt h GLU 26 Cb 0.68 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 2gdt h GLU 26 CO 0.03 -0.15 0.44 0.00 -1.00 0.00 0.00 179.01 178.34 2gdt h ALA 27 N -1.80 1.25 -0.32 3.43 0.00 -0.45 0.44 119.26 121.81 2gdt h ALA 27 Ca -0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2gdt h ALA 27 Cb 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2gdt h ALA 27 CO 0.04 -0.05 -0.11 1.25 0.00 0.00 0.00 179.25 180.38 2gdt h LEU 28 N 0.66 -0.38 0.03 0.00 6.46 -1.23 0.47 115.31 121.32 2gdt h LEU 28 Ca 0.45 0.11 -0.26 0.00 -0.12 0.00 0.00 57.88 58.05 2gdt h LEU 28 Cb 0.58 0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2gdt h LEU 28 CO -0.34 -0.14 -1.16 0.28 -0.62 0.00 0.00 178.44 176.47 2gdt h SER 29 N -0.04 0.47 -0.35 1.25 0.02 -1.12 -2.79 113.55 110.99 2gdt h SER 29 Ca 0.16 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2gdt h SER 29 Cb 0.28 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 2gdt h SER 29 CO -0.35 1.32 0.14 -0.33 -1.14 0.00 0.00 176.83 176.47 2gdt h GLU 30 N 0.12 0.53 -0.03 3.45 4.39 -1.08 -1.80 114.58 120.17 2gdt h GLU 30 Ca -0.12 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.49 2gdt h GLU 30 Cb 1.85 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.40 2gdt h GLU 30 CO 0.19 0.52 -0.06 0.00 -1.16 0.00 0.00 179.01 178.51 2gdt h ALA 31 N 0.98 -0.03 -0.99 3.43 0.00 -0.90 0.33 119.26 122.07 2gdt h ALA 31 Ca 0.12 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.19 2gdt h ALA 31 Cb 0.20 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2gdt h ALA 31 CO -0.01 -0.54 0.62 -0.09 0.00 0.00 0.00 179.25 179.23 2gdt h ARG 32 N -0.09 0.85 -0.18 0.00 2.43 -1.47 0.85 114.38 116.78 2gdt h ARG 32 Ca 0.03 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 2gdt h ARG 32 Cb 0.13 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2gdt h ARG 32 CO -0.08 0.56 -0.71 1.49 -1.51 0.00 0.00 179.97 179.73 2gdt h GLU 33 N 0.88 0.79 -0.08 0.20 4.81 -0.24 -2.21 114.58 118.72 2gdt h GLU 33 Ca 0.52 -0.61 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2gdt h GLU 33 Cb 0.67 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2gdt h GLU 33 CO -0.30 1.23 -0.47 0.45 -0.73 0.00 0.00 179.01 179.19 2gdt h HIS 34 N 0.52 0.25 -0.14 0.92 3.86 0.18 -1.35 115.15 119.39 2gdt h HIS 34 Ca -0.04 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2gdt h HIS 34 Cb 1.33 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 2gdt h HIS 34 CO 0.09 0.64 0.09 -0.07 0.86 0.00 0.00 177.93 179.54 2gdt h LEU 35 N 0.17 0.16 -0.26 2.43 3.38 -0.82 0.17 115.31 120.54 2gdt h LEU 35 Ca 0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2gdt h LEU 35 Cb 0.90 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2gdt h LEU 35 CO 0.07 0.15 0.02 0.50 0.09 0.00 0.00 178.44 179.27 2gdt h LYS 36 N 0.16 0.45 0.03 1.13 3.64 -0.79 -2.62 116.57 118.57 2gdt h LYS 36 Ca 0.05 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2gdt h LYS 36 Cb 0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2gdt h LYS 36 CO -0.01 0.60 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.84 2gdt h ASN 37 N 0.24 -0.03 0.00 4.20 2.35 -1.34 -3.48 115.58 117.51 2gdt h ASN 37 Ca 0.08 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2gdt h ASN 37 Cb 0.38 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2gdt h ASN 37 CO 0.01 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 2gdt n GLY 38 N -0.72 0.95 2.19 2.83 0.00 0.41 -5.02 105.19 105.83 2gdt n GLY 38 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 2gdt n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gdt n THR 39 N -0.28 3.25 -4.09 2.61 5.66 -0.15 -4.81 114.28 116.48 2gdt n THR 39 Ca 0.00 -2.13 -0.15 0.00 -3.05 0.00 0.00 64.05 58.72 2gdt n THR 39 Cb 0.00 -1.91 -0.15 0.00 -1.55 0.00 0.00 70.33 66.73 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gdt n GLY 41 N 3.08 3.42 3.38 0.00 0.00 0.38 -4.40 105.19 111.05 2gdt n GLY 41 Ca -0.14 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.35 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 2.28 0.01 0.99 2.96 0.22 -1.41 118.68 123.74 2gdt s LEU 42 Ca 0.10 -0.67 0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2gdt s LEU 42 Cb 0.00 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2gdt s LEU 42 CO 0.07 0.21 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.44 2gdt s VAL 43 N -0.96 1.44 0.14 1.68 1.01 0.10 -0.78 120.40 123.03 2gdt s VAL 43 Ca 0.13 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 2gdt s VAL 43 Cb -0.10 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.96 2gdt s VAL 43 CO 0.05 0.28 1.60 -1.61 0.00 0.00 0.00 175.10 175.41 2gdt s GLU 44 N -0.76 4.21 0.47 2.72 2.02 -1.26 -1.23 118.70 124.87 2gdt s GLU 44 Ca 0.06 2.35 -0.23 0.00 0.02 0.00 0.00 54.97 57.17 2gdt s GLU 44 Cb -0.08 -3.29 -0.07 0.00 0.10 0.00 0.00 34.13 30.79 2gdt s GLU 44 CO 0.00 -0.65 1.23 -0.51 0.02 0.00 0.00 175.26 175.36 2gdt s LEU 45 N 1.61 4.02 0.25 1.80 1.43 -1.23 -4.82 118.68 121.74 2gdt s LEU 45 Ca 0.71 2.47 -0.22 0.00 -1.03 0.00 0.00 54.13 56.07 2gdt s LEU 45 Cb -0.43 -4.18 0.05 0.00 0.03 0.00 0.00 46.19 41.66 2gdt s LEU 45 CO 0.32 -1.05 0.85 -1.83 0.23 0.00 0.00 176.35 174.87 2gdt s GLU 46 N -2.65 1.61 0.12 1.70 -1.05 -1.26 -5.00 118.70 112.17 2gdt s GLU 46 Ca 0.64 -0.94 -0.19 0.00 -0.15 0.00 0.00 54.97 54.33 2gdt s GLU 46 Cb -0.33 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 2gdt s GLU 46 CO 0.40 -0.74 1.75 -0.22 0.95 0.00 0.00 175.26 177.40 2gdt h LYS 47 N 2.00 0.35 -0.84 -4.83 3.64 -1.96 -3.27 116.57 111.66 2gdt h LYS 47 Ca -0.24 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2gdt h LYS 47 Cb 1.24 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2gdt h LYS 47 CO 0.29 0.27 0.00 0.41 -2.27 0.00 0.00 179.45 178.15 2gdt n GLY 48 N -1.05 2.09 0.11 5.01 0.00 -1.26 -3.67 105.19 106.41 2gdt n GLY 48 Ca -0.02 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 2gdt n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdt n VAL 49 N 0.24 1.51 -0.29 1.61 0.31 -1.23 -4.43 118.33 116.05 2gdt n VAL 49 Ca 0.11 -0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 2gdt n VAL 49 Cb 0.62 -2.07 -0.05 0.00 -0.91 0.00 0.00 33.84 31.43 2gdt n VAL 49 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdt n LEU 50 N -4.41 -0.69 0.00 7.52 4.32 -1.24 -0.44 117.00 122.05 2gdt n LEU 50 Ca -0.34 1.24 0.07 0.00 -0.02 0.00 0.00 56.01 56.96 2gdt n LEU 50 Cb 0.67 -0.18 0.37 0.00 -1.62 0.00 0.00 43.42 42.66 2gdt n LEU 50 CO 0.13 -1.02 0.71 -0.81 -1.22 0.00 0.00 177.39 175.18 2gdt n PRO 51 N -4.90 0.18 0.00 3.23 -0.04 -1.26 -1.43 135.00 130.78 2gdt n PRO 51 Ca 0.02 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2gdt n PRO 51 Cb 0.20 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.32 1.67 -2.19 0.54 6.02 0.41 -5.01 117.38 117.50 2gdt n GLN 52 Ca 0.07 -0.86 -0.19 0.00 -0.01 0.00 0.00 57.00 56.01 2gdt n GLN 52 Cb 0.13 -1.22 0.10 0.00 1.02 0.00 0.00 30.24 30.27 2gdt n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gdt n LEU 53 N 0.02 0.00 0.00 1.08 7.99 -0.52 -4.95 117.00 120.62 2gdt n LEU 53 Ca 0.06 -1.71 0.00 0.00 -0.01 0.00 0.00 56.01 54.35 2gdt n LEU 53 Cb 0.31 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2gdt n LEU 53 CO 0.16 -0.91 0.02 -0.62 -1.51 0.00 0.00 177.39 174.53 2gdt n GLU 54 N -2.53 0.00 0.02 3.23 -0.58 -1.26 -5.02 120.64 114.50 2gdt n GLU 54 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2gdt n GLU 54 Cb 0.48 -0.28 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 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 -0.15 0.00 -2.14 3.49 1.13 -1.26 -5.02 117.38 113.43 2gdt n GLN 55 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2gdt n GLN 55 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 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 2.74 -0.38 -1.09 0.04 -1.26 -4.11 135.00 128.94 2gdt s PRO 56 Ca 0.00 -0.60 -0.29 0.00 0.04 0.00 0.00 61.00 60.15 2gdt s PRO 56 Cb 0.00 -5.15 0.02 0.00 0.04 0.00 0.00 34.50 29.41 2gdt s PRO 56 CO 0.00 -3.27 1.10 0.71 0.04 0.00 0.00 177.00 175.58 2gdt s TYR 57 N 9.30 3.01 -1.03 0.56 2.02 -0.38 -4.72 117.35 126.12 2gdt s TYR 57 Ca 0.66 1.00 -0.23 0.00 -0.37 0.00 0.00 57.07 58.13 2gdt s TYR 57 Cb -0.04 -4.00 0.05 0.00 -0.40 0.00 0.00 41.96 37.57 2gdt s TYR 57 CO 0.00 -0.98 1.49 0.08 -1.57 0.00 0.00 175.55 174.57 2gdt s VAL 58 N 3.99 3.91 0.77 0.71 1.01 -1.26 -1.55 120.40 127.98 2gdt s VAL 58 Ca 0.47 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2gdt s VAL 58 Cb -0.10 -5.03 0.06 0.00 0.00 0.00 0.00 36.38 31.31 2gdt s VAL 58 CO 0.22 -1.90 1.14 -0.36 0.00 0.00 0.00 175.10 174.20 2gdt s PHE 59 N 5.15 3.07 -0.10 5.22 0.08 -0.04 -0.41 117.98 130.94 2gdt s PHE 59 Ca 0.47 0.89 -0.00 0.00 0.12 0.00 0.00 56.93 58.41 2gdt s PHE 59 Cb -0.00 -3.31 0.02 0.00 -0.57 0.00 0.00 43.02 39.16 2gdt s PHE 59 CO -0.08 -1.57 -0.08 0.96 -0.10 0.00 0.00 175.22 174.35 2gdt s ILE 60 N -3.46 0.97 0.18 0.64 -4.36 -0.87 -0.84 121.20 113.47 2gdt s ILE 60 Ca 0.61 -0.28 0.09 0.00 -0.26 0.00 0.00 60.65 60.81 2gdt s ILE 60 Cb -0.11 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.57 2gdt s ILE 60 CO 0.50 0.35 -0.13 -1.59 0.24 0.00 0.00 174.94 174.32 2gdt s LYS 61 N 1.56 1.94 -0.81 0.37 -2.85 -1.22 -0.93 119.74 117.80 2gdt s LYS 61 Ca 0.02 -1.33 -0.22 0.00 -1.00 0.00 0.00 55.97 53.43 2gdt s LYS 61 Cb -0.13 -2.09 -0.15 0.00 -2.06 0.00 0.00 37.83 33.40 2gdt s LYS 61 CO -0.06 0.43 1.92 2.89 0.10 0.00 0.00 175.35 180.62 2gdt n ARG 62 N 0.08 1.49 0.00 1.78 1.85 -0.34 -1.17 116.66 120.35 2gdt n ARG 62 Ca -0.11 -1.91 0.00 0.00 -1.00 0.00 0.00 57.85 54.83 2gdt n ARG 62 Cb 0.56 -3.00 0.00 0.00 -1.05 0.00 0.00 32.46 28.96 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 8.30 0.00 -4.26 2.89 2.88 -1.21 -4.48 113.62 117.74 2gdt n SER 63 Ca 0.49 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.89 2gdt n SER 63 Cb 0.41 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 2gdt n SER 63 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gdt s ASP 64 N -3.68 1.61 -0.55 -3.46 -1.08 -1.26 -4.88 116.67 103.37 2gdt s ASP 64 Ca 0.00 -1.11 -0.17 0.00 -0.52 0.00 0.00 52.55 50.75 2gdt s ASP 64 Cb 0.00 0.03 0.02 0.00 -1.46 0.00 0.00 42.92 41.52 2gdt s ASP 64 CO 0.00 -0.45 0.64 0.00 0.52 0.00 0.00 175.17 175.88 2gdt n ALA 65 N -0.26 -2.69 -3.47 3.66 0.00 -1.26 -5.02 120.51 111.47 2gdt n ALA 65 Ca -0.08 0.54 -0.27 0.00 0.00 0.00 0.00 53.44 53.63 2gdt n ALA 65 Cb 0.62 -2.53 -0.10 0.00 0.00 0.00 0.00 19.45 17.44 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 -0.87 0.55 -0.05 0.00 4.77 -1.26 -4.92 117.00 115.22 2gdt n LEU 66 Ca -0.02 -4.65 -0.22 0.00 -0.03 0.00 0.00 56.01 51.09 2gdt n LEU 66 Cb 0.56 0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.75 2gdt n LEU 66 CO 0.53 1.88 -0.83 -0.24 -1.33 0.00 0.00 177.39 177.40 2gdt n SER 67 N 2.34 2.02 -4.81 -1.43 2.88 -1.26 -5.04 113.62 108.32 2gdt n SER 67 Ca 0.27 0.25 -0.31 0.00 -1.33 0.00 0.00 58.87 57.74 2gdt n SER 67 Cb 0.46 -0.85 0.06 0.00 -0.75 0.00 0.00 64.21 63.13 2gdt n SER 67 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2gdt s THR 68 N -2.49 3.85 0.46 2.46 2.01 -1.26 -4.93 115.64 115.74 2gdt s THR 68 Ca -0.27 0.61 0.21 0.00 0.31 0.00 0.00 61.69 62.55 2gdt s THR 68 Cb 0.07 -3.28 0.41 0.00 0.01 0.00 0.00 72.50 69.71 2gdt s THR 68 CO 0.68 -0.78 1.87 0.78 -0.69 0.00 0.00 174.62 176.48 2gdt h ASN 69 N -0.79 0.28 -3.71 3.53 2.35 -2.05 -3.43 115.58 111.76 2gdt h ASN 69 Ca -0.44 0.03 -0.52 0.00 -0.55 0.00 0.00 56.30 54.82 2gdt h ASN 69 Cb 1.22 -0.02 0.04 0.00 0.05 0.00 0.00 38.32 39.60 2gdt h ASN 69 CO 0.55 0.11 0.59 -1.00 -1.65 0.00 0.00 177.43 176.04 2gdt s HIS 70 N -5.29 3.27 -0.08 1.19 3.76 -1.26 -4.43 115.29 112.45 2gdt s HIS 70 Ca -0.07 1.45 -0.00 0.00 -0.15 0.00 0.00 55.06 56.28 2gdt s HIS 70 Cb 0.22 -3.54 0.00 0.00 1.11 0.00 0.00 32.58 30.37 2gdt s HIS 70 CO 0.78 -1.47 0.01 0.41 -0.85 0.00 0.00 174.74 173.62 2gdt n GLY 71 N 1.38 -3.11 3.57 -2.22 0.00 -1.26 -4.86 105.19 98.68 2gdt n GLY 71 Ca 0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.46 1.68 -0.64 1.61 0.09 -1.26 -3.63 115.29 112.67 2gdt s HIS 72 Ca 0.00 0.95 -0.20 0.00 -0.00 0.00 0.00 55.06 55.82 2gdt s HIS 72 Cb -0.00 -3.88 0.03 0.00 -0.00 0.00 0.00 32.58 28.73 2gdt s HIS 72 CO 0.20 -1.52 0.63 1.63 -0.00 0.00 0.00 174.74 175.69 2gdt n LYS 73 N 8.68 -1.74 -1.73 1.40 5.02 -1.26 -4.42 118.16 124.10 2gdt n LYS 73 Ca 0.42 1.09 -0.33 0.00 -2.02 0.00 0.00 58.31 57.48 2gdt n LYS 73 Cb 0.46 -2.17 0.05 0.00 -0.02 0.00 0.00 35.03 33.35 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 -2.24 3.25 0.37 -0.18 -7.23 -1.24 -3.92 120.40 109.22 2gdt s VAL 74 Ca 0.19 0.57 0.04 0.00 -1.81 0.00 0.00 61.98 60.97 2gdt s VAL 74 Cb -0.02 -3.09 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 2gdt s VAL 74 CO 0.89 -0.37 0.14 1.33 -0.31 0.00 0.00 175.10 176.78 2gdt n VAL 75 N -2.47 0.00 -4.32 1.32 0.24 -0.71 -3.31 118.33 109.09 2gdt n VAL 75 Ca 0.10 -2.20 -0.16 0.00 -2.04 0.00 0.00 64.34 60.03 2gdt n VAL 75 Cb 0.52 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.59 2gdt n VAL 75 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2gdt s GLU 76 N -3.43 1.34 -0.08 7.34 -1.05 -0.32 -4.11 118.70 118.38 2gdt s GLU 76 Ca 0.20 -1.69 -0.21 0.00 -0.15 0.00 0.00 54.97 53.11 2gdt s GLU 76 Cb 0.01 -0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 33.21 2gdt s GLU 76 CO 0.14 -0.17 0.62 -0.51 0.95 0.00 0.00 175.26 176.28 2gdt s LEU 77 N -3.29 4.31 0.14 1.83 1.43 -1.26 -3.42 118.68 118.40 2gdt s LEU 77 Ca 0.31 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 2gdt s LEU 77 Cb 0.07 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2gdt s LEU 77 CO 0.10 -0.06 -0.11 -0.69 0.23 0.00 0.00 176.35 175.82 2gdt s VAL 78 N 0.69 1.17 -0.05 -1.59 1.01 -0.02 -4.99 120.40 116.62 2gdt s VAL 78 Ca 0.33 -1.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.34 2gdt s VAL 78 Cb -0.17 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.52 2gdt s VAL 78 CO 0.15 -0.67 0.10 0.00 0.00 0.00 0.00 175.10 174.69 2gdt s ALA 79 N -3.01 -0.11 -0.08 5.51 0.00 -1.26 -0.86 121.76 121.94 2gdt s ALA 79 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2gdt s ALA 79 Cb 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2gdt s ALA 79 CO 0.01 -0.20 -0.06 -2.00 0.00 0.00 0.00 175.76 173.51 2gdt s GLU 80 N 1.31 1.24 0.50 0.00 -6.30 -0.59 -4.96 118.70 109.90 2gdt s GLU 80 Ca -0.07 -0.18 0.29 0.00 -2.50 0.00 0.00 54.97 52.51 2gdt s GLU 80 Cb -0.12 -1.28 0.95 0.00 0.00 0.00 0.00 34.13 33.68 2gdt s GLU 80 CO -0.05 -0.18 1.83 0.00 0.02 0.00 0.00 175.26 176.88 2gdt h MET 81 N 7.79 0.00 0.00 4.30 -0.00 -1.87 -0.99 114.93 124.15 2gdt h MET 81 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.41 2gdt h MET 81 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 2gdt h MET 81 CO 0.40 0.00 0.00 -3.47 -0.00 0.00 0.00 176.91 173.84 2gdt n ASP 82 N -3.08 0.00 -3.51 -0.10 2.03 -1.26 -4.24 116.55 106.39 2gdt n ASP 82 Ca 0.02 -1.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.13 2gdt n ASP 82 Cb 0.39 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 -0.68 2.99 0.27 0.00 -1.25 -4.87 105.19 101.65 2gdt n GLY 83 Ca 0.00 0.31 -0.11 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 -3.92 0.00 0.00 -0.61 5.41 -1.26 -4.54 119.36 114.44 2gdt n ILE 84 Ca -0.19 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2gdt n ILE 84 Cb 0.64 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 2gdt n ILE 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2gdt n GLN 85 N 4.60 0.00 0.00 0.38 6.02 -1.26 -4.79 117.38 122.33 2gdt n GLN 85 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2gdt n GLN 85 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 2gdt n GLN 85 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2gdt n TYR 86 N 0.00 0.00 -0.35 1.08 4.01 -1.26 -0.15 117.16 120.49 2gdt n TYR 86 Ca 0.00 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.00 2gdt n TYR 86 Cb 0.00 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.91 -4.56 2.72 0.00 -1.87 -1.07 103.07 100.21 2gdt h GLY 87 Ca 0.00 -0.21 -0.68 0.00 0.00 0.00 0.00 47.33 46.44 2gdt h GLY 87 CO 0.00 -0.47 0.31 -2.13 0.00 0.00 0.00 176.54 174.25 2gdt n ARG 88 N -4.98 3.03 -4.13 4.80 0.00 0.79 -4.71 116.66 111.46 2gdt n ARG 88 Ca 0.32 -3.84 -0.14 0.00 -0.00 0.00 0.00 57.85 54.20 2gdt n ARG 88 Cb 1.06 -2.27 -0.11 0.00 0.00 0.00 0.00 32.46 31.14 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 -2.19 1.19 0.00 6.15 0.15 -0.41 -5.01 113.70 113.58 2gdt s SER 89 Ca 0.53 -0.73 0.27 0.00 0.70 0.00 0.00 55.95 56.72 2gdt s SER 89 Cb 0.44 0.03 1.30 0.00 -1.71 0.00 0.00 66.02 66.08 2gdt s SER 89 CO -0.23 -0.26 1.91 0.61 1.20 0.00 0.00 173.24 176.46 2gdt n GLY 90 N 0.85 -1.26 0.28 9.45 0.00 -1.26 -1.66 105.19 111.58 2gdt n GLY 90 Ca -0.18 -0.12 0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 0.03 -3.45 -0.61 2.10 -1.96 -3.46 117.51 110.17 2gdt h ILE 91 Ca 0.00 -0.54 -0.68 0.00 1.08 0.00 0.00 64.86 64.72 2gdt h ILE 91 Cb 0.32 1.52 -0.17 0.00 -1.09 0.00 0.00 36.82 37.41 2gdt h ILE 91 CO 0.00 0.01 -0.65 -0.89 -1.08 0.00 0.00 178.15 175.54 2gdt s THR 92 N -3.68 4.08 -0.16 2.19 2.01 -0.67 -1.20 115.64 118.22 2gdt s THR 92 Ca 0.01 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2gdt s THR 92 Cb 0.09 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2gdt s THR 92 CO 0.55 0.60 -0.27 0.18 -0.69 0.00 0.00 174.62 174.99 2gdt n LEU 93 N 2.21 1.82 0.00 4.42 4.77 -0.10 -4.83 117.00 125.29 2gdt n LEU 93 Ca -0.18 0.46 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 2gdt n LEU 93 Cb 0.53 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2gdt n LEU 93 CO 0.28 -0.37 0.15 0.61 -1.33 0.00 0.00 177.39 176.74 2gdt n GLY 94 N 1.53 1.83 3.37 -0.72 0.00 -1.25 -3.47 105.19 106.48 2gdt n GLY 94 Ca -0.11 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.69 3.05 0.37 1.61 1.01 -0.36 -2.04 120.40 121.35 2gdt s VAL 95 Ca 0.06 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 2gdt s VAL 95 Cb -0.01 -2.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 2gdt s VAL 95 CO 0.04 0.53 0.94 -0.76 0.00 0.00 0.00 175.10 175.85 2gdt s LEU 96 N 0.32 4.14 0.18 3.92 1.02 0.45 -0.72 118.68 127.99 2gdt s LEU 96 Ca -0.10 1.74 -0.12 0.00 0.02 0.00 0.00 54.13 55.67 2gdt s LEU 96 Cb -0.16 -4.27 0.01 0.00 0.02 0.00 0.00 46.19 41.79 2gdt s LEU 96 CO 0.06 -0.21 0.39 0.68 0.02 0.00 0.00 176.35 177.28 2gdt s VAL 97 N -1.90 0.05 0.56 -1.59 -7.23 -0.50 -4.47 120.40 105.32 2gdt s VAL 97 Ca 0.56 -1.15 -0.21 0.00 -1.81 0.00 0.00 61.98 59.38 2gdt s VAL 97 Cb -0.14 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2gdt s VAL 97 CO 0.18 -0.22 1.28 -2.84 -0.31 0.00 0.00 175.10 173.20 2gdt s PRO 98 N -3.93 3.08 -0.42 4.82 0.02 -1.26 -0.47 135.00 136.84 2gdt s PRO 98 Ca 0.14 2.04 -0.15 0.00 0.02 0.00 0.00 61.00 63.05 2gdt s PRO 98 Cb 0.01 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.44 2gdt s PRO 98 CO -0.01 -1.18 0.32 -1.58 -0.33 0.00 0.00 177.00 174.22 2gdt s HIS 99 N -1.42 3.24 -0.64 6.54 2.46 -0.67 -4.12 115.29 120.68 2gdt s HIS 99 Ca 0.74 -0.67 0.04 0.00 0.47 0.00 0.00 55.06 55.64 2gdt s HIS 99 Cb -0.36 -2.70 0.35 0.00 -0.13 0.00 0.00 32.58 29.74 2gdt s HIS 99 CO 0.41 -0.63 1.19 0.28 -2.47 0.00 0.00 174.74 173.52 2gdt n VAL 100 N 5.16 3.47 -1.01 0.89 0.31 -1.26 -4.47 118.33 121.42 2gdt n VAL 100 Ca -0.11 -5.44 -0.00 0.00 -0.01 0.00 0.00 64.34 58.77 2gdt n VAL 100 Cb 0.46 -1.39 -0.00 0.00 -0.91 0.00 0.00 33.84 32.00 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gdt n GLY 101 N -0.28 0.41 0.00 2.92 0.00 -1.26 -4.96 105.19 102.02 2gdt n GLY 101 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.18 0.00 -3.15 1.61 -0.58 -1.26 -5.02 120.64 110.06 2gdt n GLU 102 Ca -0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2gdt n GLU 102 Cb 0.11 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.98 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 0.00 -0.88 0.65 2.62 2.01 -1.26 -5.16 115.64 113.63 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 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 2gdt s THR 103 CO 0.00 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.81 2gdt s PRO 104 N 2.85 3.19 0.00 4.92 0.04 -1.26 -4.31 135.00 140.43 2gdt s PRO 104 Ca 0.13 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2gdt s PRO 104 Cb -0.09 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2gdt s PRO 104 CO -0.25 -0.79 0.00 0.44 0.04 0.00 0.00 177.00 176.44 2gdt n ILE 105 N -2.84 0.00 -3.75 0.56 -5.35 -0.38 -4.99 119.36 102.61 2gdt n ILE 105 Ca 0.06 -0.19 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 2gdt n ILE 105 Cb 0.56 0.68 0.02 0.00 -1.74 0.00 0.00 39.64 39.16 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gdt n ALA 106 N -0.98 -1.50 -3.24 -1.28 0.00 -1.23 -5.03 120.51 107.25 2gdt n ALA 106 Ca 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 53.44 52.09 2gdt n ALA 106 Cb 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.81 0.45 -0.07 0.00 1.51 -1.26 -0.26 117.35 114.91 2gdt s TYR 107 Ca 0.16 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2gdt s TYR 107 Cb -0.04 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.39 2gdt s TYR 107 CO 0.12 -0.08 -0.10 0.50 -1.11 0.00 0.00 175.55 174.87 2gdt s ARG 108 N 0.44 2.76 0.02 -0.62 6.06 0.20 -4.90 118.95 122.92 2gdt s ARG 108 Ca -0.05 -0.62 0.02 0.00 -2.50 0.00 0.00 55.73 52.58 2gdt s ARG 108 Cb -0.08 -2.52 -0.04 0.00 0.06 0.00 0.00 34.95 32.37 2gdt s ARG 108 CO -0.01 0.58 0.02 0.54 -2.50 0.00 0.00 175.30 173.93 2gdt s ASN 109 N -0.59 5.23 0.27 -2.12 4.22 -1.26 -0.67 114.94 120.02 2gdt s ASN 109 Ca 0.09 -0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.67 2gdt s ASN 109 Cb -0.11 -1.37 0.00 0.00 1.28 0.00 0.00 41.25 41.04 2gdt s ASN 109 CO 0.02 0.25 0.52 0.68 -2.04 0.00 0.00 177.10 176.52 2gdt s VAL 110 N -1.17 0.00 0.28 3.54 -7.23 -0.38 -5.00 120.40 110.43 2gdt s VAL 110 Ca 0.22 -1.38 0.08 0.00 -1.81 0.00 0.00 61.98 59.09 2gdt s VAL 110 Cb -0.12 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 2gdt s VAL 110 CO 0.13 0.00 0.17 -0.76 -0.31 0.00 0.00 175.10 174.33 2gdt s LEU 111 N -3.05 3.58 -0.12 1.32 2.01 -1.25 -0.79 118.68 120.37 2gdt s LEU 111 Ca 0.22 -0.44 0.01 0.00 0.01 0.00 0.00 54.13 53.93 2gdt s LEU 111 Cb -0.01 -2.12 -0.01 0.00 0.01 0.00 0.00 46.19 44.06 2gdt s LEU 111 CO 0.11 -0.12 -0.16 -0.22 1.01 0.00 0.00 176.35 176.96 2gdt s LEU 112 N -3.84 2.54 -1.25 1.79 0.20 0.64 -1.73 118.68 117.03 2gdt s LEU 112 Ca 0.35 -0.40 -0.15 0.00 0.69 0.00 0.00 54.13 54.62 2gdt s LEU 112 Cb -0.07 -1.55 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 2gdt s LEU 112 CO 0.24 0.16 2.23 -1.14 -0.29 0.00 0.00 176.35 177.55 2gdt n ARG 113 N 3.54 2.53 -1.48 1.98 0.63 -1.26 -2.17 116.66 120.43 2gdt n ARG 113 Ca -0.18 -2.26 0.00 0.00 -0.92 0.00 0.00 57.85 54.49 2gdt n ARG 113 Cb 0.53 -3.07 0.00 0.00 0.45 0.00 0.00 32.46 30.37 2gdt n ARG 113 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2gdt n LYS 114 N 5.90 -0.33 0.00 -0.14 5.02 -1.26 -4.93 118.16 122.42 2gdt n LYS 114 Ca 0.54 0.43 0.05 0.00 -2.02 0.00 0.00 58.31 57.31 2gdt n LYS 114 Cb 0.36 -0.38 0.04 0.00 -0.02 0.00 0.00 35.03 35.02 2gdt n LYS 114 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2gdt n ASN 115 N 1.53 1.79 0.00 4.39 2.85 -1.26 -5.13 115.26 119.43 2gdt n ASN 115 Ca 0.00 -1.39 0.00 0.00 -0.11 0.00 0.00 54.58 53.08 2gdt n ASN 115 Cb 0.11 0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.22 2gdt n ASN 115 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76