#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gdt s ARG 2 N 0.00 1.05 -0.29 3.17 0.52 -1.26 -4.99 118.95 117.15 1gdt s ARG 2 Ca 0.00 -1.27 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 1gdt s ARG 2 Cb 0.00 -0.93 0.03 0.00 0.52 0.00 0.00 34.95 34.58 1gdt s ARG 2 CO 0.00 0.18 0.01 -1.17 0.02 0.00 0.00 175.30 174.34 1gdt s LEU 3 N -2.53 3.73 0.35 2.53 2.96 -1.26 -0.96 118.68 123.50 1gdt s LEU 3 Ca 0.10 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1gdt s LEU 3 Cb -0.04 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 1gdt s LEU 3 CO 0.03 -0.22 0.13 -0.36 -1.32 0.00 0.00 176.35 174.61 1gdt s PHE 4 N 1.34 2.66 0.13 5.38 0.08 0.13 -4.56 117.98 123.14 1gdt s PHE 4 Ca -0.02 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.64 1gdt s PHE 4 Cb -0.18 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1gdt s PHE 4 CO -0.01 0.34 -0.07 0.20 -0.10 0.00 0.00 175.22 175.58 1gdt s GLY 5 N -3.83 0.95 0.01 4.36 0.00 -0.24 -0.32 107.32 108.24 1gdt s GLY 5 Ca 0.38 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 1gdt s GLY 5 CO 0.22 -1.52 0.27 -0.47 0.00 0.00 0.00 173.10 171.60 1gdt s TYR 6 N -3.50 -0.11 -0.26 1.90 5.04 -0.60 -0.91 117.35 118.92 1gdt s TYR 6 Ca 0.15 0.09 -0.08 0.00 -2.44 0.00 0.00 57.07 54.79 1gdt s TYR 6 Cb 0.04 0.06 0.12 0.00 0.35 0.00 0.00 41.96 42.53 1gdt s TYR 6 CO -0.01 -0.41 0.55 0.00 -1.34 0.00 0.00 175.55 174.33 1gdt s ALA 7 N -1.75 -1.67 0.07 3.97 0.00 0.03 -4.44 121.76 117.97 1gdt s ALA 7 Ca -0.11 1.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.61 1gdt s ALA 7 Cb -0.04 -1.62 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 1gdt s ALA 7 CO 0.01 -0.89 0.54 0.50 0.00 0.00 0.00 175.76 175.92 1gdt s ARG 8 N 2.77 4.13 -0.09 0.00 3.52 -0.99 -0.05 118.95 128.23 1gdt s ARG 8 Ca -0.02 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.25 1gdt s ARG 8 Cb -0.12 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1gdt s ARG 8 CO -0.16 0.64 -0.14 0.08 -0.81 0.00 0.00 175.30 174.90 1gdt s VAL 9 N -1.14 3.02 0.28 7.11 1.01 0.22 -4.90 120.40 126.01 1gdt s VAL 9 Ca 0.29 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1gdt s VAL 9 Cb -0.19 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 1gdt s VAL 9 CO 0.18 0.55 0.60 -0.94 0.00 0.00 0.00 175.10 175.49 1gdt s SER 10 N -0.13 6.58 0.00 3.32 1.04 -1.26 -0.91 113.70 122.34 1gdt s SER 10 Ca -0.01 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.34 1gdt s SER 10 Cb -0.14 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1gdt s SER 10 CO 0.03 -0.16 0.00 0.41 0.98 0.00 0.00 173.24 174.50 1gdt n THR 11 N -0.52 0.00 -3.04 2.02 -1.04 -1.26 -4.52 114.28 105.92 1gdt n THR 11 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1gdt n THR 11 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1gdt n THR 11 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gdt n SER 12 N 2.06 0.00 -0.27 8.00 2.88 -1.26 -4.91 113.62 120.12 1gdt n SER 12 Ca 0.00 0.00 0.24 0.00 -1.33 0.00 0.00 58.87 57.78 1gdt n SER 12 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1gdt n SER 12 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gdt n GLN 13 N 0.00 -0.03 -0.16 -1.46 -0.00 -1.26 -0.41 117.38 114.06 1gdt n GLN 13 Ca 0.00 0.85 -0.09 0.00 -0.00 0.00 0.00 57.00 57.76 1gdt n GLN 13 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 30.24 28.62 1gdt n GLN 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.06 176.50 1gdt h GLN 14 N 0.00 0.74 -0.23 2.61 -0.00 -1.96 -2.63 115.11 113.64 1gdt h GLN 14 Ca 0.57 -0.17 -0.12 0.00 -0.00 0.00 0.00 58.65 58.93 1gdt h GLN 14 Cb 1.72 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 29.08 1gdt h GLN 14 CO -0.38 0.71 -0.36 0.77 -0.00 0.00 0.00 178.83 179.57 1gdt h SER 15 N 0.63 0.54 -0.10 0.06 0.02 -0.97 -3.33 113.55 110.40 1gdt h SER 15 Ca 0.15 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1gdt h SER 15 Cb 0.29 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1gdt h SER 15 CO -0.00 0.86 -0.23 0.25 -1.14 0.00 0.00 176.83 176.56 1gdt h LEU 16 N 0.43 -0.76 -1.32 5.07 6.46 -1.24 -2.84 115.31 121.11 1gdt h LEU 16 Ca 0.05 0.09 0.42 0.00 -0.12 0.00 0.00 57.88 58.32 1gdt h LEU 16 Cb 0.84 0.30 -0.13 0.00 -0.73 0.00 0.00 40.66 40.93 1gdt h LEU 16 CO 0.07 -0.19 0.79 0.44 -0.62 0.00 0.00 178.44 178.92 1gdt h ASP 17 N -0.22 0.28 -0.61 1.25 3.32 -1.65 0.64 116.42 119.44 1gdt h ASP 17 Ca 0.02 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1gdt h ASP 17 Cb 0.27 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1gdt h ASP 17 CO -0.21 -0.20 0.34 0.40 -1.72 0.00 0.00 179.24 177.85 1gdt h ILE 18 N 0.11 1.19 -0.27 0.35 2.04 -1.69 0.29 117.51 119.54 1gdt h ILE 18 Ca 0.81 -0.48 -0.10 0.00 1.00 0.00 0.00 64.86 66.08 1gdt h ILE 18 Cb 2.42 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1gdt h ILE 18 CO -0.47 0.21 -0.23 1.56 0.00 0.00 0.00 178.15 179.22 1gdt h GLN 19 N 0.82 0.62 0.00 2.37 1.08 0.18 -1.93 115.11 118.26 1gdt h GLN 19 Ca 0.21 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1gdt h GLN 19 Cb 0.04 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1gdt h GLN 19 CO -0.03 0.91 -0.10 -0.24 -0.95 0.00 0.00 178.83 178.41 1gdt h VAL 20 N 0.35 0.53 0.09 -0.54 3.04 -0.78 -2.23 116.25 116.71 1gdt h VAL 20 Ca 0.05 -0.48 -0.21 0.00 -1.01 0.00 0.00 66.70 65.05 1gdt h VAL 20 Cb 0.78 1.32 0.02 0.00 -2.01 0.00 0.00 31.29 31.40 1gdt h VAL 20 CO 0.06 0.10 -0.87 -0.09 -1.01 0.00 0.00 177.57 175.76 1gdt h ARG 21 N 0.00 0.42 -0.93 4.17 9.65 -0.22 -2.97 114.38 124.51 1gdt h ARG 21 Ca -0.00 -0.58 0.03 0.00 -1.10 0.00 0.00 59.98 58.32 1gdt h ARG 21 Cb 0.31 0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 29.03 1gdt h ARG 21 CO 0.01 1.24 0.61 0.00 2.80 0.00 0.00 179.97 184.63 1gdt h ALA 22 N 0.21 1.21 -0.13 2.80 0.00 -0.79 0.77 119.26 123.33 1gdt h ALA 22 Ca -0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1gdt h ALA 22 Cb 1.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1gdt h ALA 22 CO 0.17 0.50 -0.28 -0.07 0.00 0.00 0.00 179.25 179.57 1gdt h LEU 23 N 1.20 0.24 -0.30 0.00 3.38 -1.50 -0.16 115.31 118.16 1gdt h LEU 23 Ca 0.36 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 1gdt h LEU 23 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1gdt h LEU 23 CO -0.11 0.52 -0.51 0.11 0.09 0.00 0.00 178.44 178.54 1gdt h LYS 24 N 0.22 0.89 0.00 1.13 1.57 -1.11 -1.35 116.57 117.91 1gdt h LYS 24 Ca 0.03 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1gdt h LYS 24 Cb 0.61 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1gdt h LYS 24 CO 0.04 1.18 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.60 1gdt h ASP 25 N 0.68 0.00 0.93 0.86 3.32 -0.32 -1.50 116.42 120.40 1gdt h ASP 25 Ca 0.02 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 1gdt h ASP 25 Cb 1.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1gdt h ASP 25 CO 0.12 0.06 -1.06 0.00 -1.72 0.00 0.00 179.24 176.64 1gdt h ALA 26 N 1.94 0.35 0.00 3.45 0.00 -0.54 -3.48 119.26 120.97 1gdt h ALA 26 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1gdt h ALA 26 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gdt h ALA 26 CO 0.01 1.24 0.00 0.41 0.00 0.00 0.00 179.25 180.91 1gdt n GLY 27 N 1.38 1.08 3.77 0.00 0.00 -0.56 -5.08 105.19 105.77 1gdt n GLY 27 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1gdt n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdt s VAL 28 N -1.27 2.19 0.11 1.61 1.01 -0.59 -4.89 120.40 118.58 1gdt s VAL 28 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 1gdt s VAL 28 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1gdt s VAL 28 CO 0.00 0.04 1.56 -0.75 0.00 0.00 0.00 175.10 175.95 1gdt s LYS 29 N -1.78 4.23 0.05 2.72 2.20 -1.26 -4.48 119.74 121.41 1gdt s LYS 29 Ca 0.54 2.28 0.01 0.00 -0.36 0.00 0.00 55.97 58.44 1gdt s LYS 29 Cb -0.45 -3.34 0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1gdt s LYS 29 CO 0.59 -0.62 0.76 0.00 -0.36 0.00 0.00 175.35 175.72 1gdt n ALA 30 N 4.59 0.40 0.27 3.13 0.00 -1.26 0.51 120.51 128.14 1gdt n ALA 30 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1gdt n ALA 30 Cb 0.40 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 1gdt n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gdt n ASN 31 N -1.31 0.93 -1.88 0.00 6.94 -1.26 -4.50 115.26 114.17 1gdt n ASN 31 Ca -0.00 -0.54 -0.08 0.00 -0.02 0.00 0.00 54.58 53.94 1gdt n ASN 31 Cb 0.33 1.07 0.25 0.00 -2.36 0.00 0.00 39.78 39.06 1gdt n ASN 31 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gdt n ARG 32 N -1.29 3.15 -4.40 -3.83 1.74 0.18 -4.89 116.66 107.33 1gdt n ARG 32 Ca 0.01 -2.63 -0.35 0.00 -0.77 0.00 0.00 57.85 54.11 1gdt n ARG 32 Cb 0.13 -2.08 -0.10 0.00 -1.02 0.00 0.00 32.46 29.39 1gdt n ARG 32 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gdt s ILE 33 N -2.67 4.18 -0.07 0.55 1.01 -1.20 -1.08 121.20 121.91 1gdt s ILE 33 Ca 0.48 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1gdt s ILE 33 Cb 0.38 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1gdt s ILE 33 CO 0.11 0.58 -0.20 -0.36 0.00 0.00 0.00 174.94 175.07 1gdt s PHE 34 N -0.60 2.07 0.20 3.97 0.40 -0.09 -4.91 117.98 119.01 1gdt s PHE 34 Ca 0.10 -0.72 0.10 0.00 -0.60 0.00 0.00 56.93 55.80 1gdt s PHE 34 Cb -0.12 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 1gdt s PHE 34 CO 0.02 -0.28 -0.19 0.95 0.70 0.00 0.00 175.22 176.42 1gdt s THR 35 N 0.22 2.04 -0.10 0.64 -4.23 -1.26 -0.79 115.64 112.16 1gdt s THR 35 Ca -0.11 -2.08 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 1gdt s THR 35 Cb -0.15 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.72 1gdt s THR 35 CO 0.05 -0.34 0.21 -1.81 -0.54 0.00 0.00 174.62 172.19 1gdt s ASP 36 N -2.94 0.53 -0.29 3.99 1.01 0.92 -4.16 116.67 115.72 1gdt s ASP 36 Ca 0.21 0.45 -0.29 0.00 0.71 0.00 0.00 52.55 53.63 1gdt s ASP 36 Cb -0.05 0.46 0.01 0.00 1.01 0.00 0.00 42.92 44.35 1gdt s ASP 36 CO 0.09 -0.24 1.05 -0.75 0.21 0.00 0.00 175.17 175.53 1gdt s LYS 37 N 2.28 4.11 -0.69 8.23 2.20 -1.26 0.71 119.74 135.33 1gdt s LYS 37 Ca 0.02 1.13 -0.16 0.00 -0.36 0.00 0.00 55.97 56.59 1gdt s LYS 37 Cb -0.12 -3.71 -0.16 0.00 -1.51 0.00 0.00 37.83 32.33 1gdt s LYS 37 CO -0.07 -0.82 1.81 0.00 -0.36 0.00 0.00 175.35 175.91 1gdt n ALA 38 N 6.69 0.41 -0.33 3.13 0.00 -0.08 -4.76 120.51 125.56 1gdt n ALA 38 Ca 0.12 -1.57 0.14 0.00 0.00 0.00 0.00 53.44 52.13 1gdt n ALA 38 Cb 0.47 -2.34 0.33 0.00 0.00 0.00 0.00 19.45 17.91 1gdt n ALA 38 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1gdt h SER 39 N 10.92 0.62 0.00 0.00 0.02 -1.88 -3.45 113.55 119.77 1gdt h SER 39 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gdt h SER 39 Cb 1.01 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1gdt h SER 39 CO 1.07 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 177.51 1gdt n GLY 40 N -1.32 1.12 0.38 -3.77 0.00 -1.26 -4.53 105.19 95.81 1gdt n GLY 40 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 1gdt n GLY 40 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gdt h SER 41 N 0.00 -1.41 -3.00 1.61 4.64 -2.01 -3.43 113.55 109.96 1gdt h SER 41 Ca 0.00 0.29 -0.48 0.00 -0.47 0.00 0.00 61.79 61.13 1gdt h SER 41 Cb 0.00 0.72 -0.14 0.00 -0.31 0.00 0.00 62.40 62.67 1gdt h SER 41 CO 0.00 -0.29 -0.72 -0.94 -0.87 0.00 0.00 176.83 174.01 1gdt s SER 42 N -5.31 2.76 -0.81 4.97 1.04 -1.26 -5.09 113.70 110.00 1gdt s SER 42 Ca -0.14 -1.07 -0.18 0.00 0.48 0.00 0.00 55.95 55.04 1gdt s SER 42 Cb 0.18 -0.17 0.14 0.00 0.10 0.00 0.00 66.02 66.28 1gdt s SER 42 CO 0.70 -0.19 0.94 -0.44 0.98 0.00 0.00 173.24 175.23 1gdt s SER 43 N -3.38 6.52 0.08 7.02 0.01 -1.26 -4.75 113.70 117.93 1gdt s SER 43 Ca 0.25 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.55 1gdt s SER 43 Cb -0.00 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1gdt s SER 43 CO 0.09 -1.00 0.00 -0.90 0.41 0.00 0.00 173.24 171.84 1gdt n ASP 44 N 6.03 0.41 -3.17 2.44 5.75 -1.26 -5.10 116.55 121.65 1gdt n ASP 44 Ca 0.12 0.12 -0.05 0.00 -0.01 0.00 0.00 54.79 54.97 1gdt n ASP 44 Cb 0.47 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1gdt n ASP 44 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gdt n ARG 45 N -3.01 -1.44 0.30 0.11 1.74 -1.26 -4.75 116.66 108.35 1gdt n ARG 45 Ca 0.00 1.43 -0.16 0.00 -0.77 0.00 0.00 57.85 58.34 1gdt n ARG 45 Cb 0.00 -5.16 -0.08 0.00 -1.02 0.00 0.00 32.46 26.20 1gdt n ARG 45 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1gdt h LYS 46 N 0.48 -0.72 -0.92 5.56 2.10 -1.98 -0.09 116.57 120.99 1gdt h LYS 46 Ca -0.11 0.05 0.12 0.00 -2.00 0.00 0.00 60.65 58.71 1gdt h LYS 46 Cb 1.07 0.16 -0.09 0.00 -0.90 0.00 0.00 32.23 32.48 1gdt h LYS 46 CO 0.30 -0.44 0.55 0.78 -2.00 0.00 0.00 179.45 178.64 1gdt h GLY 47 N -0.87 1.50 0.85 0.07 0.00 -1.94 -1.85 103.07 100.84 1gdt h GLY 47 Ca -0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1gdt h GLY 47 CO 0.13 0.09 -0.04 -2.00 0.00 0.00 0.00 176.54 174.72 1gdt h LEU 48 N 0.85 0.47 -2.87 3.11 5.85 -1.80 -1.89 115.31 119.03 1gdt h LEU 48 Ca 0.47 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1gdt h LEU 48 Cb 0.52 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1gdt h LEU 48 CO -0.29 0.71 0.04 0.44 -0.34 0.00 0.00 178.44 179.00 1gdt h ASP 49 N 0.23 0.00 0.00 1.25 3.32 -0.22 0.10 116.42 121.10 1gdt h ASP 49 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gdt h ASP 49 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1gdt h ASP 49 CO 0.02 0.00 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.47 1gdt h LEU 50 N 0.00 -0.00 -0.33 1.55 3.38 -0.83 -3.28 115.31 115.79 1gdt h LEU 50 Ca 0.00 -0.84 0.06 0.00 0.09 0.00 0.00 57.88 57.19 1gdt h LEU 50 Cb 0.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1gdt h LEU 50 CO -0.00 0.90 -0.06 0.25 0.09 0.00 0.00 178.44 179.63 1gdt h LEU 51 N -0.98 -0.25 -2.15 1.67 6.46 -0.32 0.13 115.31 119.87 1gdt h LEU 51 Ca -0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1gdt h LEU 51 Cb 0.85 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1gdt h LEU 51 CO 0.00 -0.09 0.11 0.03 -0.62 0.00 0.00 178.44 177.87 1gdt h ARG 52 N 0.03 0.00 0.01 1.25 3.08 -1.02 -1.29 114.38 116.44 1gdt h ARG 52 Ca 0.16 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.83 1gdt h ARG 52 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1gdt h ARG 52 CO -0.32 0.00 -2.36 -0.12 -1.07 0.00 0.00 179.97 176.10 1gdt n MET 53 N -2.72 0.67 0.21 0.04 1.56 0.28 -4.37 117.12 112.80 1gdt n MET 53 Ca -0.02 0.13 0.10 0.00 -0.27 0.00 0.00 57.70 57.64 1gdt n MET 53 Cb 0.16 -1.56 0.34 0.00 2.15 0.00 0.00 33.22 34.31 1gdt n MET 53 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1gdt h LYS 54 N 0.01 0.00 -6.74 2.12 3.64 -0.36 -3.44 116.57 111.80 1gdt h LYS 54 Ca -0.54 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.34 1gdt h LYS 54 Cb 2.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1gdt h LYS 54 CO -0.03 0.19 0.42 0.14 -2.27 0.00 0.00 179.45 177.90 1gdt s VAL 55 N -3.40 3.85 0.18 2.00 -7.23 -0.55 -5.04 120.40 110.20 1gdt s VAL 55 Ca 0.03 1.78 0.05 0.00 -1.81 0.00 0.00 61.98 62.03 1gdt s VAL 55 Cb 0.08 -4.14 -0.05 0.00 0.56 0.00 0.00 36.38 32.84 1gdt s VAL 55 CO 0.65 0.39 -0.09 -1.83 -0.31 0.00 0.00 175.10 173.92 1gdt s GLU 56 N -1.03 1.17 0.26 4.82 -1.05 -1.26 -4.98 118.70 116.62 1gdt s GLU 56 Ca 0.44 -1.53 -0.27 0.00 -0.15 0.00 0.00 54.97 53.47 1gdt s GLU 56 Cb -0.29 -0.71 -0.16 0.00 -0.44 0.00 0.00 34.13 32.54 1gdt s GLU 56 CO 0.36 0.05 0.59 -1.91 0.95 0.00 0.00 175.26 175.30 1gdt n GLU 57 N -0.28 0.33 0.00 -4.83 2.13 -1.14 -2.24 120.64 114.61 1gdt n GLU 57 Ca -0.09 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1gdt n GLU 57 Cb 0.61 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 31.10 1gdt n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gdt n GLY 58 N 1.85 3.03 3.46 8.31 0.00 -0.99 -4.93 105.19 115.91 1gdt n GLY 58 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1gdt n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gdt n ASP 59 N 0.07 -1.73 -3.86 1.61 8.00 -0.95 -4.63 116.55 115.06 1gdt n ASP 59 Ca 0.00 -0.14 -0.18 0.00 0.71 0.00 0.00 54.79 55.18 1gdt n ASP 59 Cb 0.00 -1.24 -0.16 0.00 -0.02 0.00 0.00 41.12 39.70 1gdt n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gdt s VAL 60 N -2.40 0.30 -0.11 2.53 1.01 -0.13 -2.83 120.40 118.78 1gdt s VAL 60 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1gdt s VAL 60 Cb -0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1gdt s VAL 60 CO 0.65 0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 175.17 1gdt s ILE 61 N 0.85 3.22 -0.03 2.22 1.01 0.17 0.19 121.20 128.84 1gdt s ILE 61 Ca -0.09 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1gdt s ILE 61 Cb -0.13 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 1gdt s ILE 61 CO -0.01 0.54 -0.01 -0.76 0.00 0.00 0.00 174.94 174.70 1gdt s LEU 62 N -0.04 3.45 -0.14 2.97 1.02 0.56 -0.08 118.68 126.41 1gdt s LEU 62 Ca -0.02 0.01 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 1gdt s LEU 62 Cb -0.14 -1.90 0.04 0.00 0.02 0.00 0.00 46.19 44.21 1gdt s LEU 62 CO 0.04 0.32 0.42 0.54 0.02 0.00 0.00 176.35 177.69 1gdt s VAL 63 N -0.99 0.01 0.15 -1.59 0.11 -0.54 -1.55 120.40 116.00 1gdt s VAL 63 Ca 0.17 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.93 1gdt s VAL 63 Cb -0.11 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1gdt s VAL 63 CO 0.07 -0.02 1.60 0.11 -3.33 0.00 0.00 175.10 173.52 1gdt h LYS 64 N 5.25 -0.29 -2.66 1.54 1.79 -1.84 -0.58 116.57 119.78 1gdt h LYS 64 Ca -0.27 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1gdt h LYS 64 Cb 1.18 0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.74 1gdt h LYS 64 CO 0.26 -0.20 0.14 -1.59 -1.08 0.00 0.00 179.45 176.98 1gdt s LYS 65 N -5.98 1.14 0.13 3.15 -2.85 -1.26 -1.69 119.74 112.38 1gdt s LYS 65 Ca -0.15 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.97 54.46 1gdt s LYS 65 Cb 0.12 0.53 0.06 0.00 -2.06 0.00 0.00 37.83 36.48 1gdt s LYS 65 CO 0.67 -0.43 1.03 1.28 0.10 0.00 0.00 175.35 178.00 1gdt n LEU 66 N 0.23 -0.56 -0.83 2.77 4.77 -1.26 -0.06 117.00 122.05 1gdt n LEU 66 Ca -0.18 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 1gdt n LEU 66 Cb 0.61 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1gdt n LEU 66 CO 0.18 -1.01 0.26 -0.90 -1.33 0.00 0.00 177.39 174.59 1gdt n ASP 67 N -4.91 1.47 0.00 -1.43 5.68 -1.26 -1.42 116.55 114.67 1gdt n ASP 67 Ca 0.04 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1gdt n ASP 67 Cb 0.22 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 1gdt n ASP 67 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gdt n ARG 68 N 0.52 -0.62 -0.01 0.11 5.12 0.92 -4.63 116.66 118.07 1gdt n ARG 68 Ca 0.00 -0.44 0.03 0.00 -1.93 0.00 0.00 57.85 55.51 1gdt n ARG 68 Cb 0.26 -0.90 -0.08 0.00 -1.16 0.00 0.00 32.46 30.59 1gdt n ARG 68 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1gdt n LEU 69 N -0.02 0.00 -4.05 0.55 -0.00 -0.51 -2.36 117.00 110.61 1gdt n LEU 69 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1gdt n LEU 69 Cb 0.07 0.05 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 1gdt n LEU 69 CO 0.00 0.05 0.09 -0.83 -0.00 0.00 0.00 177.39 176.70 1gdt s GLY 70 N -3.41 0.89 0.00 -3.96 0.00 -1.23 -4.88 107.32 94.72 1gdt s GLY 70 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1gdt s GLY 70 CO 0.43 -0.85 0.00 0.54 0.00 0.00 0.00 173.10 173.22 1gdt n ARG 71 N -0.39 0.00 -3.72 2.90 1.74 -1.26 -4.76 116.66 111.16 1gdt n ARG 71 Ca -0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1gdt n ARG 71 Cb 0.63 -0.26 -0.04 0.00 -1.02 0.00 0.00 32.46 31.76 1gdt n ARG 71 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1gdt s ASP 72 N -1.00 6.43 0.31 0.55 -1.08 -1.26 -4.98 116.67 115.65 1gdt s ASP 72 Ca 0.00 0.47 0.05 0.00 -0.52 0.00 0.00 52.55 52.55 1gdt s ASP 72 Cb 0.00 -2.04 0.83 0.00 -1.46 0.00 0.00 42.92 40.25 1gdt s ASP 72 CO 0.00 0.04 1.59 0.71 0.52 0.00 0.00 175.17 178.04 1gdt h THR 73 N 1.89 0.10 -0.48 1.71 1.35 -1.97 0.61 112.91 116.13 1gdt h THR 73 Ca -0.46 -0.02 0.10 0.00 -0.55 0.00 0.00 66.41 65.48 1gdt h THR 73 Cb 1.17 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1gdt h THR 73 CO 0.72 0.01 0.33 0.00 -0.25 0.00 0.00 175.52 176.33 1gdt h ALA 74 N 1.93 2.21 -0.28 6.62 0.00 -1.93 0.04 119.26 127.83 1gdt h ALA 74 Ca 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.46 1gdt h ALA 74 Cb 1.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1gdt h ALA 74 CO -0.82 -0.33 -0.07 0.22 0.00 0.00 0.00 179.25 178.25 1gdt h ASP 75 N 0.18 0.56 -0.09 0.00 3.58 -0.14 -3.07 116.42 117.44 1gdt h ASP 75 Ca 0.22 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1gdt h ASP 75 Cb 0.64 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1gdt h ASP 75 CO -0.04 0.80 0.05 0.24 -2.88 0.00 0.00 179.24 177.41 1gdt h MET 76 N 0.31 0.12 -0.08 0.28 2.86 -0.95 0.05 114.93 117.53 1gdt h MET 76 Ca 0.07 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1gdt h MET 76 Cb 0.56 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1gdt h MET 76 CO 0.03 0.15 -0.06 0.82 1.06 0.00 0.00 176.91 178.91 1gdt h ILE 77 N 0.06 0.00 -0.24 -1.22 2.04 -1.03 0.32 117.51 117.45 1gdt h ILE 77 Ca 0.03 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1gdt h ILE 77 Cb 0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1gdt h ILE 77 CO -0.01 0.00 -0.30 1.56 0.00 0.00 0.00 178.15 179.41 1gdt h GLN 78 N -0.02 0.48 -0.87 2.37 7.50 -1.56 -0.18 115.11 122.83 1gdt h GLN 78 Ca 0.01 -0.20 0.03 0.00 0.50 0.00 0.00 58.65 58.99 1gdt h GLN 78 Cb 0.05 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.51 1gdt h GLN 78 CO -0.08 0.73 0.56 1.25 -1.50 0.00 0.00 178.83 179.79 1gdt h LEU 79 N 0.42 0.95 -0.06 1.46 5.85 -0.29 0.26 115.31 123.90 1gdt h LEU 79 Ca 0.05 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1gdt h LEU 79 Cb 0.73 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1gdt h LEU 79 CO 0.06 0.66 -0.14 0.40 -0.34 0.00 0.00 178.44 179.08 1gdt h ILE 80 N 1.11 1.42 -1.03 4.05 2.04 -0.17 -2.47 117.51 122.45 1gdt h ILE 80 Ca 0.34 -1.46 0.26 0.00 1.00 0.00 0.00 64.86 65.00 1gdt h ILE 80 Cb -0.02 2.22 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 1gdt h ILE 80 CO -0.11 0.41 0.66 0.11 0.00 0.00 0.00 178.15 179.22 1gdt h LYS 81 N -0.29 0.40 0.50 2.37 1.57 -0.15 0.86 116.57 121.84 1gdt h LYS 81 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1gdt h LYS 81 Cb 0.73 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1gdt h LYS 81 CO 0.03 0.27 -0.24 1.49 -0.57 0.00 0.00 179.45 180.43 1gdt h GLU 82 N 0.42 -0.65 -0.97 3.15 4.81 -0.32 -2.58 114.58 118.43 1gdt h GLU 82 Ca 0.59 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 60.10 1gdt h GLU 82 Cb 1.45 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.90 1gdt h GLU 82 CO -0.30 -0.43 0.64 0.74 -0.73 0.00 0.00 179.01 178.93 1gdt h PHE 83 N -0.92 0.53 0.41 0.92 0.04 -0.75 -1.65 116.94 115.52 1gdt h PHE 83 Ca -0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1gdt h PHE 83 Cb 0.52 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1gdt h PHE 83 CO 0.04 0.10 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.21 1gdt h ASP 84 N 0.36 -0.47 -0.97 2.17 3.32 -0.84 0.70 116.42 120.69 1gdt h ASP 84 Ca 0.52 -0.12 0.10 0.00 0.02 0.00 0.00 57.03 57.55 1gdt h ASP 84 Cb 1.39 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 1gdt h ASP 84 CO -0.21 -0.10 0.61 0.00 -1.72 0.00 0.00 179.24 177.82 1gdt h ALA 85 N -0.51 1.41 0.00 3.45 0.00 -1.01 0.26 119.26 122.86 1gdt h ALA 85 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gdt h ALA 85 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gdt h ALA 85 CO 0.09 0.27 0.00 0.94 0.00 0.00 0.00 179.25 180.55 1gdt n GLN 86 N -4.61 0.45 -0.96 0.00 -0.06 -0.67 -4.81 117.38 106.72 1gdt n GLN 86 Ca 0.17 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 1gdt n GLN 86 Cb 0.28 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 1gdt n GLN 86 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1gdt n GLY 87 N -0.08 0.80 3.84 1.69 0.00 0.91 -2.90 105.19 109.44 1gdt n GLY 87 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1gdt n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gdt s VAL 88 N -3.30 4.76 0.27 1.61 1.01 0.24 -2.35 120.40 122.64 1gdt s VAL 88 Ca 0.00 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1gdt s VAL 88 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1gdt s VAL 88 CO 0.00 0.19 -0.14 -0.94 0.00 0.00 0.00 175.10 174.21 1gdt s SER 89 N -1.75 3.23 0.02 3.32 1.04 -1.13 -3.18 113.70 115.25 1gdt s SER 89 Ca 0.41 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1gdt s SER 89 Cb -0.15 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 1gdt s SER 89 CO 0.20 -0.12 -0.07 -0.63 0.98 0.00 0.00 173.24 173.60 1gdt s ILE 90 N -2.72 0.51 -0.13 -1.02 1.01 -1.26 -0.65 121.20 116.94 1gdt s ILE 90 Ca 0.28 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1gdt s ILE 90 Cb -0.01 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1gdt s ILE 90 CO 0.13 -0.11 -0.20 -0.60 0.00 0.00 0.00 174.94 174.15 1gdt s ARG 91 N -0.84 2.77 -0.80 2.79 3.52 0.88 -1.35 118.95 125.93 1gdt s ARG 91 Ca -0.03 -0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 54.60 1gdt s ARG 91 Cb -0.06 -2.25 0.11 0.00 -1.56 0.00 0.00 34.95 31.19 1gdt s ARG 91 CO 0.00 -0.01 1.03 -0.06 -0.81 0.00 0.00 175.30 175.46 1gdt s PHE 92 N 0.81 2.94 0.05 5.12 0.08 0.42 -1.47 117.98 125.94 1gdt s PHE 92 Ca -0.08 -1.04 -0.10 0.00 0.12 0.00 0.00 56.93 55.82 1gdt s PHE 92 Cb -0.16 -4.26 -0.02 0.00 -0.57 0.00 0.00 43.02 38.01 1gdt s PHE 92 CO -0.01 -1.53 1.16 -0.89 -0.10 0.00 0.00 175.22 173.85 1gdt n ILE 93 N 5.66 -0.23 0.94 0.64 2.08 -0.22 -1.19 119.36 127.04 1gdt n ILE 93 Ca 0.11 1.77 0.00 0.00 0.56 0.00 0.00 62.75 65.19 1gdt n ILE 93 Cb 0.47 -2.28 0.00 0.00 -0.75 0.00 0.00 39.64 37.08 1gdt n ILE 93 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1gdt n ASP 94 N -3.75 2.61 0.00 4.38 8.00 -0.68 -3.08 116.55 124.02 1gdt n ASP 94 Ca 0.01 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.62 1gdt n ASP 94 Cb 0.09 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1gdt n ASP 94 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1gdt n ASP 95 N 0.47 0.00 0.00 -2.24 8.00 -0.36 -4.99 116.55 117.43 1gdt n ASP 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1gdt n ASP 95 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1gdt n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gdt n GLY 96 N 0.00 2.12 3.72 0.44 0.00 -0.34 -4.93 105.19 106.20 1gdt n GLY 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1gdt n GLY 96 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gdt n ILE 97 N -1.10 1.25 -3.82 -0.61 5.41 -1.24 -4.81 119.36 114.44 1gdt n ILE 97 Ca 0.00 -0.31 -0.13 0.00 1.00 0.00 0.00 62.75 63.31 1gdt n ILE 97 Cb 0.00 -1.74 -0.14 0.00 -0.71 0.00 0.00 39.64 37.05 1gdt n ILE 97 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1gdt s SER 98 N 0.24 -0.05 -0.11 4.38 0.15 -1.26 -0.44 113.70 116.61 1gdt s SER 98 Ca 0.63 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.49 1gdt s SER 98 Cb -0.56 0.11 0.36 0.00 -1.71 0.00 0.00 66.02 64.23 1gdt s SER 98 CO 0.53 -0.06 1.08 0.35 1.20 0.00 0.00 173.24 176.34 1gdt n THR 99 N 3.43 1.29 -1.48 6.45 -2.24 -0.45 -4.45 114.28 116.83 1gdt n THR 99 Ca -0.17 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.54 1gdt n THR 99 Cb 0.57 -0.42 -0.12 0.00 -2.10 0.00 0.00 70.33 68.25 1gdt n THR 99 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gdt n ASP 100 N 0.25 0.79 0.00 3.42 2.03 -1.26 -2.17 116.55 119.60 1gdt n ASP 100 Ca 0.13 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1gdt n ASP 100 Cb 0.70 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1gdt n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gdt n GLY 101 N 6.53 1.29 0.34 0.27 0.00 -1.26 -1.96 105.19 110.40 1gdt n GLY 101 Ca 0.58 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 47.03 1gdt n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gdt h GLU 102 N 0.00 1.16 -0.85 1.61 4.39 -1.98 -2.83 114.58 116.08 1gdt h GLU 102 Ca 0.00 -0.21 0.21 0.00 0.34 0.00 0.00 59.36 59.69 1gdt h GLU 102 Cb 0.00 -0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 28.34 1gdt h GLU 102 CO 0.00 0.94 0.28 0.52 -1.16 0.00 0.00 179.01 179.60 1gdt h MET 103 N 1.12 0.30 -0.90 2.33 2.86 -1.61 -0.17 114.93 118.86 1gdt h MET 103 Ca 0.26 -0.02 0.21 0.00 -2.06 0.00 0.00 59.70 58.09 1gdt h MET 103 Cb 0.23 -0.07 -0.17 0.00 0.06 0.00 0.00 31.60 31.65 1gdt h MET 103 CO -0.02 0.20 -0.10 0.78 1.06 0.00 0.00 176.91 178.83 1gdt h GLY 104 N 0.31 0.88 1.01 8.32 0.00 -1.17 0.65 103.07 113.07 1gdt h GLY 104 Ca 0.52 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 48.02 1gdt h GLY 104 CO -0.56 -0.39 0.27 0.50 0.00 0.00 0.00 176.54 176.36 1gdt h LYS 105 N 0.02 1.00 -0.67 4.80 1.57 -1.19 -2.36 116.57 119.74 1gdt h LYS 105 Ca 0.48 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1gdt h LYS 105 Cb 0.85 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1gdt h LYS 105 CO -0.88 0.83 0.20 1.98 -0.57 0.00 0.00 179.45 181.01 1gdt h MET 106 N 0.94 1.04 0.21 3.15 4.05 0.26 -1.24 114.93 123.35 1gdt h MET 106 Ca 0.22 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1gdt h MET 106 Cb 0.20 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1gdt h MET 106 CO -0.02 0.91 -0.11 0.28 0.23 0.00 0.00 176.91 178.20 1gdt h VAL 107 N 0.97 0.77 -0.75 -5.77 2.07 -0.46 -2.38 116.25 110.70 1gdt h VAL 107 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1gdt h VAL 107 Cb 0.31 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1gdt h VAL 107 CO -0.00 0.00 0.44 -0.37 0.02 0.00 0.00 177.57 177.66 1gdt h VAL 108 N -0.30 1.21 -0.71 2.57 -1.51 -1.29 -1.76 116.25 114.45 1gdt h VAL 108 Ca -0.03 -0.47 0.03 0.00 -1.23 0.00 0.00 66.70 65.01 1gdt h VAL 108 Cb 0.24 0.16 -0.05 0.00 -2.13 0.00 0.00 31.29 29.52 1gdt h VAL 108 CO 0.04 0.22 0.44 0.74 -1.23 0.00 0.00 177.57 177.79 1gdt h THR 109 N 1.03 1.09 0.15 7.19 2.02 -0.91 -0.51 112.91 122.96 1gdt h THR 109 Ca 0.27 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1gdt h THR 109 Cb -0.03 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1gdt h THR 109 CO -0.05 0.16 -0.07 0.40 0.37 0.00 0.00 175.52 176.33 1gdt h ILE 110 N 0.86 0.93 -0.73 3.11 1.08 -0.89 0.04 117.51 121.91 1gdt h ILE 110 Ca 0.29 -0.31 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 1gdt h ILE 110 Cb 0.04 1.12 -0.11 0.00 -3.07 0.00 0.00 36.82 34.80 1gdt h ILE 110 CO -0.12 0.07 0.17 -0.07 -0.69 0.00 0.00 178.15 177.52 1gdt h LEU 111 N -0.34 0.01 -0.31 1.44 3.38 -0.75 0.48 115.31 119.22 1gdt h LEU 111 Ca -0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gdt h LEU 111 Cb 0.27 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1gdt h LEU 111 CO 0.03 -0.04 -0.10 -0.24 0.09 0.00 0.00 178.44 178.19 1gdt n SER 112 N -5.16 0.58 -0.09 -0.43 2.88 -0.25 -2.08 113.62 109.07 1gdt n SER 112 Ca 0.14 -0.74 -0.16 0.00 -1.33 0.00 0.00 58.87 56.78 1gdt n SER 112 Cb 0.46 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.77 1gdt n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gdt h ALA 113 N 3.73 0.14 -0.42 -1.46 0.00 0.19 -3.29 119.26 118.15 1gdt h ALA 113 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 1gdt h ALA 113 Cb 0.35 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1gdt h ALA 113 CO 0.00 0.43 -0.04 0.28 0.00 0.00 0.00 179.25 179.92 1gdt h VAL 114 N -1.00 1.24 -0.38 0.00 2.07 -0.75 -0.25 116.25 117.17 1gdt h VAL 114 Ca -0.18 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1gdt h VAL 114 Cb 1.04 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1gdt h VAL 114 CO -0.11 0.34 0.08 0.00 0.02 0.00 0.00 177.57 177.90 1gdt h ALA 115 N 1.32 0.51 0.01 1.67 0.00 -1.59 0.17 119.26 121.35 1gdt h ALA 115 Ca 0.12 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1gdt h ALA 115 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gdt h ALA 115 CO 0.02 0.20 -0.97 1.96 0.00 0.00 0.00 179.25 180.46 1gdt h GLN 116 N 0.48 0.04 0.30 0.00 1.08 -1.62 -2.64 115.11 112.76 1gdt h GLN 116 Ca 0.12 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1gdt h GLN 116 Cb 0.33 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1gdt h GLN 116 CO 0.00 0.97 -0.14 0.00 -0.95 0.00 0.00 178.83 178.71 1gdt h ALA 117 N 1.01 -0.40 -0.63 3.87 0.00 -0.78 0.12 119.26 122.44 1gdt h ALA 117 Ca -0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gdt h ALA 117 Cb 1.68 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1gdt h ALA 117 CO 0.13 -0.67 0.38 1.49 0.00 0.00 0.00 179.25 180.58 1gdt h GLU 118 N -0.53 0.85 -0.14 0.00 4.57 -0.75 -1.59 114.58 116.98 1gdt h GLU 118 Ca -0.04 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1gdt h GLU 118 Cb 0.39 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1gdt h GLU 118 CO 0.07 0.60 0.05 0.00 -1.18 0.00 0.00 179.01 178.54 1gdt h ARG 119 N 0.86 0.22 -0.82 1.92 3.08 -1.07 -2.78 114.38 115.79 1gdt h ARG 119 Ca 0.23 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1gdt h ARG 119 Cb -0.03 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1gdt h ARG 119 CO -0.04 0.34 0.36 0.37 -1.07 0.00 0.00 179.97 179.92 1gdt h GLN 120 N 0.06 1.20 0.19 0.04 5.75 -0.42 -1.96 115.11 119.96 1gdt h GLN 120 Ca 0.05 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1gdt h GLN 120 Cb 0.20 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1gdt h GLN 120 CO -0.00 0.94 -0.22 0.00 -2.65 0.00 0.00 178.83 176.90 1gdt h ARG 121 N 1.17 -0.44 -0.91 1.69 3.08 -1.23 0.26 114.38 118.01 1gdt h ARG 121 Ca 0.28 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1gdt h ARG 121 Cb 0.17 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1gdt h ARG 121 CO -0.03 -0.30 0.57 0.82 -1.07 0.00 0.00 179.97 179.96 1gdt h ILE 122 N -0.46 1.24 -0.04 2.04 2.04 -1.30 -0.24 117.51 120.80 1gdt h ILE 122 Ca 0.01 -0.50 -0.15 0.00 1.00 0.00 0.00 64.86 65.22 1gdt h ILE 122 Cb 0.44 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1gdt h ILE 122 CO -0.07 0.25 -0.64 0.25 0.00 0.00 0.00 178.15 177.94 1gdt h LEU 123 N 1.24 0.19 0.10 1.44 6.46 -1.19 -2.76 115.31 120.79 1gdt h LEU 123 Ca 0.33 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1gdt h LEU 123 Cb -0.09 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.77 1gdt h LEU 123 CO -0.06 0.78 -0.13 -0.08 -0.62 0.00 0.00 178.44 178.32 1gdt h GLU 124 N 0.12 -0.27 0.28 1.25 4.57 0.12 -1.49 114.58 119.17 1gdt h GLU 124 Ca -0.01 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1gdt h GLU 124 Cb 1.15 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1gdt h GLU 124 CO 0.09 -0.18 -0.14 0.07 -1.18 0.00 0.00 179.01 177.68 1gdt h ARG 125 N -0.28 -0.37 0.00 1.92 0.11 -1.18 -3.05 114.38 111.54 1gdt h ARG 125 Ca 0.01 0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1gdt h ARG 125 Cb 0.28 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.44 1gdt h ARG 125 CO -0.06 -0.11 -0.06 1.79 0.10 0.00 0.00 179.97 181.62 1gdt h THR 126 N -0.58 0.48 -1.14 0.08 1.35 -1.52 -2.82 112.91 108.76 1gdt h THR 126 Ca -0.04 -0.30 0.32 0.00 -0.55 0.00 0.00 66.41 65.84 1gdt h THR 126 Cb 0.42 1.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.97 1gdt h THR 126 CO 0.06 0.06 0.77 -1.13 -0.25 0.00 0.00 175.52 175.04 1gdt h ASN 127 N 0.00 0.23 0.56 5.36 -0.00 -1.15 0.11 115.58 120.69 1gdt h ASN 127 Ca -0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 56.30 56.32 1gdt h ASN 127 Cb 0.20 0.02 0.01 0.00 -0.00 0.00 0.00 38.32 38.54 1gdt h ASN 127 CO 0.01 0.02 -0.27 -0.08 -0.00 0.00 0.00 177.43 177.11 1gdt h GLU 128 N 0.19 -0.72 -0.43 6.67 4.57 -1.66 -2.53 114.58 120.67 1gdt h GLU 128 Ca 0.60 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.82 1gdt h GLU 128 Cb 1.96 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 30.69 1gdt h GLU 128 CO -0.18 -0.48 0.23 0.78 -1.18 0.00 0.00 179.01 178.19 1gdt h GLY 129 N -0.76 0.65 -0.22 1.92 0.00 -1.54 0.56 103.07 103.68 1gdt h GLY 129 Ca -0.08 -0.30 0.26 0.00 0.00 0.00 0.00 47.33 47.21 1gdt h GLY 129 CO 0.13 0.29 0.58 -0.09 0.00 0.00 0.00 176.54 177.44 1gdt h ARG 130 N 0.57 0.51 0.04 4.80 9.65 -0.84 0.25 114.38 129.36 1gdt h ARG 130 Ca 0.15 -0.03 -0.33 0.00 -1.10 0.00 0.00 59.98 58.67 1gdt h ARG 130 Cb 0.06 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 1gdt h ARG 130 CO -0.02 0.34 -1.83 1.04 2.80 0.00 0.00 179.97 182.29 1gdt n GLN 131 N -4.93 0.65 0.22 0.20 1.13 -0.95 -3.21 117.38 110.49 1gdt n GLN 131 Ca 0.28 0.38 -0.14 0.00 -1.94 0.00 0.00 57.00 55.57 1gdt n GLN 131 Cb 0.79 -1.67 -0.08 0.00 0.11 0.00 0.00 30.24 29.39 1gdt n GLN 131 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1gdt h GLU 132 N -0.51 -0.74 -0.66 -1.09 4.81 -0.55 0.51 114.58 116.35 1gdt h GLU 132 Ca -0.45 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1gdt h GLU 132 Cb 1.67 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 31.19 1gdt h GLU 132 CO -0.12 -0.49 0.44 0.00 -0.73 0.00 0.00 179.01 178.10 1gdt h ALA 133 N -1.10 0.84 -0.40 2.92 0.00 -0.71 0.17 119.26 120.98 1gdt h ALA 133 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gdt h ALA 133 Cb 0.67 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1gdt h ALA 133 CO -0.05 0.26 0.01 1.98 0.00 0.00 0.00 179.25 181.44 1gdt h MET 134 N 0.89 0.11 -0.00 0.00 1.85 -1.47 -0.98 114.93 115.32 1gdt h MET 134 Ca 0.24 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.33 1gdt h MET 134 Cb -0.10 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 31.91 1gdt h MET 134 CO -0.06 0.07 0.00 0.00 -0.40 0.00 0.00 176.91 176.53 1gdt h ALA 135 N 1.34 0.00 -0.99 0.39 0.00 -0.37 -2.99 119.26 116.65 1gdt h ALA 135 Ca 0.19 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.34 1gdt h ALA 135 Cb 0.27 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.90 1gdt h ALA 135 CO -0.32 -0.39 0.44 -0.22 0.00 0.00 0.00 179.25 178.76 1gdt h LYS 136 N -0.22 0.12 0.00 0.00 3.64 0.17 -3.45 116.57 116.83 1gdt h LYS 136 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1gdt h LYS 136 Cb 0.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1gdt h LYS 136 CO -0.00 0.08 0.00 0.41 -2.27 0.00 0.00 179.45 177.67 1gdt n GLY 137 N -1.32 0.46 3.70 5.01 0.00 -0.45 -5.07 105.19 107.52 1gdt n GLY 137 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1gdt n GLY 137 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gdt n VAL 138 N 0.00 4.04 -3.29 1.61 0.31 -1.08 -4.93 118.33 114.99 1gdt n VAL 138 Ca 0.00 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.44 1gdt n VAL 138 Cb 0.00 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 1gdt n VAL 138 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1gdt s VAL 139 N -1.37 5.15 0.25 2.52 1.01 -1.26 -4.79 120.40 121.92 1gdt s VAL 139 Ca 0.75 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1gdt s VAL 139 Cb -0.42 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1gdt s VAL 139 CO 0.47 0.24 0.34 -0.36 0.00 0.00 0.00 175.10 175.79 1gdt s PHE 140 N 1.20 3.35 0.00 5.22 0.40 -1.26 -5.04 117.98 121.85 1gdt s PHE 140 Ca 0.24 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1gdt s PHE 140 Cb -0.15 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1gdt s PHE 140 CO 0.10 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.83 1gdt n GLY 141 N -1.40 -3.78 3.76 4.36 0.00 -1.26 -4.97 105.19 101.91 1gdt n GLY 141 Ca -0.08 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1gdt n GLY 141 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gdt s ARG 142 N -0.95 4.25 0.32 1.61 3.52 -1.26 -4.97 118.95 121.48 1gdt s ARG 142 Ca 0.00 2.35 -0.29 0.00 -0.13 0.00 0.00 55.73 57.66 1gdt s ARG 142 Cb 0.00 -3.05 -0.10 0.00 -1.56 0.00 0.00 34.95 30.23 1gdt s ARG 142 CO 0.00 -0.37 1.29 0.15 -0.81 0.00 0.00 175.30 175.56 1gdt s LYS 143 N -1.37 4.38 0.35 5.12 1.02 -1.26 -4.96 119.74 123.01 1gdt s LYS 143 Ca 0.54 2.18 -0.28 0.00 0.02 0.00 0.00 55.97 58.42 1gdt s LYS 143 Cb -0.43 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 33.70 1gdt s LYS 143 CO 0.52 -0.15 1.31 1.03 -0.92 0.00 0.00 175.35 177.14 1gdt s ARG 144 N -1.73 4.28 0.00 1.68 0.52 -1.26 -4.93 118.95 117.51 1gdt s ARG 144 Ca 0.49 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.92 1gdt s ARG 144 Cb -0.39 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1gdt s ARG 144 CO 0.52 -0.25 0.00 0.36 0.02 0.00 0.00 175.30 175.94 1gdt n LYS 145 N 0.67 0.00 -1.71 3.54 2.85 -1.26 -5.05 118.16 117.20 1gdt n LYS 145 Ca 0.01 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1gdt n LYS 145 Cb 0.42 -0.74 -0.02 0.00 -0.65 0.00 0.00 35.03 34.04 1gdt n LYS 145 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1gdt n ILE 146 N -2.37 1.15 -2.33 0.58 2.08 -1.26 -4.83 119.36 112.38 1gdt n ILE 146 Ca 0.00 -0.29 -0.35 0.00 0.56 0.00 0.00 62.75 62.67 1gdt n ILE 146 Cb 0.36 -1.68 -0.03 0.00 -0.75 0.00 0.00 39.64 37.53 1gdt n ILE 146 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1gdt s ASP 147 N 0.27 5.93 0.33 4.38 -1.08 -1.26 -4.82 116.67 120.43 1gdt s ASP 147 Ca 0.64 -1.59 0.04 0.00 -0.52 0.00 0.00 52.55 51.12 1gdt s ASP 147 Cb -0.58 -2.57 0.67 0.00 -1.46 0.00 0.00 42.92 38.97 1gdt s ASP 147 CO 0.51 -2.07 1.90 0.03 0.52 0.00 0.00 175.17 176.06 1gdt h ARG 148 N 9.52 0.84 0.03 4.34 3.08 -1.99 -1.36 114.38 128.84 1gdt h ARG 148 Ca 0.25 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1gdt h ARG 148 Cb 0.95 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1gdt h ARG 148 CO 1.34 0.55 -0.01 -0.44 -1.07 0.00 0.00 179.97 180.34 1gdt h ASP 149 N 0.86 -0.03 -0.84 7.04 5.19 -1.99 -0.66 116.42 125.99 1gdt h ASP 149 Ca 0.41 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1gdt h ASP 149 Cb 0.41 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 1gdt h ASP 149 CO -0.17 0.13 0.54 0.00 -3.12 0.00 0.00 179.24 176.61 1gdt h ALA 150 N 0.78 1.06 0.41 3.45 0.00 -1.89 -0.83 119.26 122.25 1gdt h ALA 150 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1gdt h ALA 150 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1gdt h ALA 150 CO 0.01 0.50 -0.35 0.28 0.00 0.00 0.00 179.25 179.68 1gdt h VAL 151 N 1.14 0.27 0.00 0.00 2.07 -0.95 -1.44 116.25 117.34 1gdt h VAL 151 Ca 0.30 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 1gdt h VAL 151 Cb -0.10 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1gdt h VAL 151 CO -0.06 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.70 1gdt h LEU 152 N -0.77 0.00 0.21 2.57 7.12 -0.88 -2.18 115.31 121.37 1gdt h LEU 152 Ca -0.04 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 1gdt h LEU 152 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1gdt h LEU 152 CO -0.03 0.08 -0.10 -1.13 -0.13 0.00 0.00 178.44 177.13 1gdt h ASN 153 N 0.00 -0.24 -0.98 1.25 -1.24 -0.60 0.45 115.58 114.22 1gdt h ASN 153 Ca -0.00 -0.17 0.12 0.00 0.71 0.00 0.00 56.30 56.96 1gdt h ASN 153 Cb 0.15 0.06 -0.09 0.00 0.73 0.00 0.00 38.32 39.17 1gdt h ASN 153 CO 0.01 0.04 0.61 0.24 -1.29 0.00 0.00 177.43 177.04 1gdt h MET 154 N -0.53 0.92 -0.38 6.67 2.86 -0.81 0.84 114.93 124.49 1gdt h MET 154 Ca -0.03 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1gdt h MET 154 Cb 0.40 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1gdt h MET 154 CO 0.05 0.61 -0.01 2.35 1.06 0.00 0.00 176.91 180.97 1gdt h TRP 155 N 0.95 0.75 0.00 -0.22 2.91 -1.15 -0.83 115.95 118.35 1gdt h TRP 155 Ca 0.49 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 60.35 1gdt h TRP 155 Cb 0.51 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1gdt h TRP 155 CO -0.01 0.78 -0.12 0.37 -1.03 0.00 0.00 178.44 178.42 1gdt h GLN 156 N 0.50 0.00 0.00 2.65 5.75 0.27 -0.82 115.11 123.46 1gdt h GLN 156 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1gdt h GLN 156 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1gdt h GLN 156 CO 0.02 0.12 0.00 0.94 -2.65 0.00 0.00 178.83 177.26 1gdt n GLN 157 N -3.44 0.04 0.00 1.69 -0.06 0.26 -4.89 117.38 110.98 1gdt n GLN 157 Ca -0.01 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 1gdt n GLN 157 Cb 0.29 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 1gdt n GLN 157 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1gdt n GLY 158 N 1.25 0.31 3.74 1.69 0.00 -0.31 -5.05 105.19 106.81 1gdt n GLY 158 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1gdt n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gdt s LEU 159 N 0.00 4.46 0.93 0.99 1.43 -0.38 -4.99 118.68 121.12 1gdt s LEU 159 Ca 0.00 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 1gdt s LEU 159 Cb 0.00 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.75 1gdt s LEU 159 CO 0.00 -0.37 1.10 -0.83 0.23 0.00 0.00 176.35 176.48 1gdt s GLY 160 N -0.06 1.59 0.20 -3.19 0.00 -1.26 -4.22 107.32 100.38 1gdt s GLY 160 Ca 0.52 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.86 1gdt s GLY 160 CO 0.39 0.27 1.86 0.00 0.00 0.00 0.00 173.10 175.62 1gdt h ALA 161 N -1.64 0.90 -0.82 3.20 0.00 -1.96 -2.06 119.26 116.88 1gdt h ALA 161 Ca -0.51 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1gdt h ALA 161 Cb 1.31 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1gdt h ALA 161 CO 0.57 0.35 0.54 0.77 0.00 0.00 0.00 179.25 181.48 1gdt h SER 162 N 0.96 0.90 0.12 0.00 0.02 -1.93 -1.94 113.55 111.68 1gdt h SER 162 Ca 0.26 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1gdt h SER 162 Cb -0.08 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1gdt h SER 162 CO -0.05 0.63 -0.06 -0.74 -1.14 0.00 0.00 176.83 175.48 1gdt h HIS 163 N 1.05 -0.14 -0.49 3.45 6.17 -1.76 -2.76 115.15 120.67 1gdt h HIS 163 Ca 0.32 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.49 1gdt h HIS 163 Cb -0.03 0.05 -0.09 0.00 2.52 0.00 0.00 27.41 29.86 1gdt h HIS 163 CO -0.00 0.21 -0.09 0.82 0.71 0.00 0.00 177.93 179.57 1gdt h ILE 164 N -0.52 0.53 -0.09 6.26 2.04 -1.05 0.39 117.51 125.09 1gdt h ILE 164 Ca -0.02 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1gdt h ILE 164 Cb 0.42 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1gdt h ILE 164 CO 0.03 0.00 -0.02 0.77 0.00 0.00 0.00 178.15 178.93 1gdt h SER 165 N 0.02 -0.09 0.11 1.72 4.64 -1.40 -1.80 113.55 116.75 1gdt h SER 165 Ca 0.24 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1gdt h SER 165 Cb 0.36 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1gdt h SER 165 CO -0.48 -0.03 -0.19 0.50 -0.87 0.00 0.00 176.83 175.76 1gdt h LYS 166 N -0.01 -0.35 -0.75 4.77 3.64 -1.08 0.03 116.57 122.83 1gdt h LYS 166 Ca 0.04 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1gdt h LYS 166 Cb 0.07 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1gdt h LYS 166 CO -0.09 -0.23 0.49 1.15 -2.27 0.00 0.00 179.45 178.50 1gdt h THR 167 N -0.36 1.19 -0.31 1.00 2.02 -0.79 -3.15 112.91 112.50 1gdt h THR 167 Ca 0.02 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1gdt h THR 167 Cb 0.38 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1gdt h THR 167 CO -0.10 0.19 0.01 1.15 0.37 0.00 0.00 175.52 177.13 1gdt n MET 168 N -4.56 3.08 -1.76 6.66 0.00 -0.69 -4.97 117.12 114.87 1gdt n MET 168 Ca 0.07 -2.91 -0.17 0.00 0.00 0.00 0.00 57.70 54.69 1gdt n MET 168 Cb 0.02 -1.90 -0.06 0.00 0.00 0.00 0.00 33.22 31.28 1gdt n MET 168 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1gdt n ASN 169 N -0.43 -4.71 -4.93 3.17 3.02 -0.05 -4.98 115.26 106.34 1gdt n ASN 169 Ca 0.24 0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.87 1gdt n ASN 169 Cb 0.95 -4.16 -0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1gdt n ASN 169 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1gdt s ILE 170 N -2.58 4.84 0.11 2.41 -4.36 -0.89 -5.02 121.20 115.71 1gdt s ILE 170 Ca 0.00 -0.28 -0.30 0.00 -0.26 0.00 0.00 60.65 59.81 1gdt s ILE 170 Cb 0.00 -3.79 -0.07 0.00 1.25 0.00 0.00 42.46 39.85 1gdt s ILE 170 CO 0.00 -0.60 1.21 0.00 0.24 0.00 0.00 174.94 175.79 1gdt s ALA 171 N -2.49 3.42 0.25 2.27 0.00 -1.26 -4.55 121.76 119.40 1gdt s ALA 171 Ca 0.44 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.26 1gdt s ALA 171 Cb -0.10 -3.44 0.50 0.00 0.00 0.00 0.00 23.12 20.08 1gdt s ALA 171 CO 0.39 -0.42 1.70 -0.09 0.00 0.00 0.00 175.76 177.34 1gdt h ARG 172 N 6.23 0.31 -0.35 0.00 2.43 -1.91 0.16 114.38 121.25 1gdt h ARG 172 Ca -0.43 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1gdt h ARG 172 Cb 1.21 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1gdt h ARG 172 CO 0.79 0.21 -0.02 0.66 -1.51 0.00 0.00 179.97 180.10 1gdt h SER 173 N 0.32 -0.18 -1.00 -3.80 4.64 -1.96 -0.03 113.55 111.55 1gdt h SER 173 Ca 0.43 0.09 0.24 0.00 -0.47 0.00 0.00 61.79 62.08 1gdt h SER 173 Cb 0.74 0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.90 1gdt h SER 173 CO -0.49 -0.05 0.65 0.74 -0.87 0.00 0.00 176.83 176.80 1gdt h THR 174 N 0.08 0.59 -0.62 2.95 2.02 -1.06 0.88 112.91 117.74 1gdt h THR 174 Ca 0.17 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.28 1gdt h THR 174 Cb 0.24 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 1gdt h THR 174 CO -0.30 0.08 0.29 0.58 0.37 0.00 0.00 175.52 176.53 1gdt h VAL 175 N 0.42 0.86 -0.17 3.16 2.07 -0.53 0.17 116.25 122.23 1gdt h VAL 175 Ca 0.55 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.82 1gdt h VAL 175 Cb 1.36 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1gdt h VAL 175 CO -0.26 0.09 -0.18 1.88 0.02 0.00 0.00 177.57 179.12 1gdt h TYR 176 N 0.52 0.51 0.03 1.57 0.05 0.85 -1.74 116.97 118.77 1gdt h TYR 176 Ca 0.30 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1gdt h TYR 176 Cb 0.30 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1gdt h TYR 176 CO -0.13 0.81 -0.18 -0.22 -1.05 0.00 0.00 178.16 177.39 1gdt h LYS 177 N 0.07 -0.30 -0.96 4.88 3.64 -0.55 0.73 116.57 124.08 1gdt h LYS 177 Ca 0.03 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1gdt h LYS 177 Cb 0.73 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1gdt h LYS 177 CO 0.04 -0.20 0.63 0.28 -2.27 0.00 0.00 179.45 177.93 1gdt h VAL 178 N -0.31 1.16 -0.62 2.00 2.07 -0.73 -0.01 116.25 119.82 1gdt h VAL 178 Ca 0.04 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1gdt h VAL 178 Cb 0.36 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 1gdt h VAL 178 CO -0.14 0.22 0.33 0.40 0.02 0.00 0.00 177.57 178.39 1gdt h ILE 179 N 1.21 1.20 -0.02 4.57 2.04 -0.37 -3.05 117.51 123.08 1gdt h ILE 179 Ca 0.38 -0.53 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 1gdt h ILE 179 Cb 0.01 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1gdt h ILE 179 CO -0.13 0.23 -0.71 0.78 0.00 0.00 0.00 178.15 178.32 1gdt h ASN 180 N 0.84 0.16 -1.40 1.72 4.21 -0.07 -3.29 115.58 117.76 1gdt h ASN 180 Ca 0.22 -0.11 -0.48 0.00 1.21 0.00 0.00 56.30 57.14 1gdt h ASN 180 Cb 0.06 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.21 1gdt h ASN 180 CO -0.03 0.81 1.64 -0.62 -1.29 0.00 0.00 177.43 177.94 1gdt n GLU 181 N -3.76 0.94 -0.27 0.81 -0.58 -0.09 -2.24 120.64 115.45 1gdt n GLU 181 Ca -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1gdt n GLU 181 Cb 0.69 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.40 1gdt n GLU 181 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1gdt n SER 182 N 14.93 0.00 -0.70 1.62 7.64 -1.26 -4.99 113.62 130.85 1gdt n SER 182 Ca 0.41 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.38 1gdt n SER 182 Cb 0.47 -0.42 0.07 0.00 -1.01 0.00 0.00 64.21 63.32 1gdt n SER 182 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62