#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggl s PRO 2 N 0.00 2.50 -1.06 0.54 0.04 -1.26 -4.96 135.00 130.80 1ggl s PRO 2 Ca 0.00 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.18 1ggl s PRO 2 Cb 0.00 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.74 1ggl s PRO 2 CO 0.00 -1.47 1.34 1.21 0.04 0.00 0.00 177.00 178.12 1ggl s ASN 3 N -2.88 6.74 0.00 6.66 3.04 -1.26 -4.89 114.94 122.35 1ggl s ASN 3 Ca 0.65 -2.22 0.04 0.00 0.04 0.00 0.00 52.86 51.36 1ggl s ASN 3 Cb -0.20 -2.45 0.23 0.00 -1.54 0.00 0.00 41.25 37.29 1ggl s ASN 3 CO 0.48 -1.08 0.71 0.18 -3.04 0.00 0.00 177.10 174.35 1ggl n LEU 4 N 6.99 0.00 -4.60 3.21 4.32 -1.26 -4.85 117.00 120.80 1ggl n LEU 4 Ca 0.32 0.01 -0.45 0.00 -0.02 0.00 0.00 56.01 55.87 1ggl n LEU 4 Cb 0.47 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 1ggl n LEU 4 CO 0.60 -0.01 0.64 0.41 -1.22 0.00 0.00 177.39 177.81 1ggl n THR 5 N -1.01 1.82 -0.50 -5.08 -1.04 -1.26 -4.72 114.28 102.50 1ggl n THR 5 Ca 0.03 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1ggl n THR 5 Cb 0.01 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1ggl n THR 5 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ggl n GLY 6 N 1.31 0.42 3.07 3.41 0.00 0.47 -4.94 105.19 108.93 1ggl n GLY 6 Ca 0.10 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1ggl n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ggl s TYR 7 N -1.82 2.00 -0.17 1.61 6.14 -1.26 -0.05 117.35 123.79 1ggl s TYR 7 Ca 0.00 -0.92 -0.01 0.00 0.64 0.00 0.00 57.07 56.78 1ggl s TYR 7 Cb 0.00 -1.43 -0.00 0.00 0.42 0.00 0.00 41.96 40.95 1ggl s TYR 7 CO 0.00 -0.46 -0.12 0.71 0.64 0.00 0.00 175.55 176.31 1ggl s TYR 8 N 0.91 2.84 0.31 4.97 1.51 0.16 -1.97 117.35 126.08 1ggl s TYR 8 Ca -0.08 -1.00 -0.23 0.00 -1.01 0.00 0.00 57.07 54.74 1ggl s TYR 8 Cb -0.15 -1.94 -0.10 0.00 -0.11 0.00 0.00 41.96 39.66 1ggl s TYR 8 CO -0.00 -0.48 0.88 0.50 -1.11 0.00 0.00 175.55 175.34 1ggl s ARG 9 N 0.95 4.44 0.51 -0.62 3.52 0.31 -1.75 118.95 126.31 1ggl s ARG 9 Ca -0.02 1.16 -0.22 0.00 -0.13 0.00 0.00 55.73 56.52 1ggl s ARG 9 Cb -0.15 -2.75 -0.07 0.00 -1.56 0.00 0.00 34.95 30.42 1ggl s ARG 9 CO -0.01 0.28 1.10 0.34 -0.81 0.00 0.00 175.30 176.19 1ggl n PHE 10 N 0.46 1.41 0.00 5.12 7.35 -1.26 -1.53 117.46 129.00 1ggl n PHE 10 Ca 0.01 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1ggl n PHE 10 Cb 0.51 -2.25 0.00 0.00 0.35 0.00 0.00 39.48 38.09 1ggl n PHE 10 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ggl n VAL 11 N -0.96 0.00 -3.61 -2.13 0.31 -0.61 -4.79 118.33 106.55 1ggl n VAL 11 Ca 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.41 1ggl n VAL 11 Cb 0.43 -0.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1ggl n VAL 11 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ggl s SER 12 N -3.90 -0.12 0.06 4.52 1.04 -1.24 -4.99 113.70 109.07 1ggl s SER 12 Ca 0.00 -0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.10 1ggl s SER 12 Cb 0.00 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.38 1ggl s SER 12 CO 0.00 -0.30 0.77 0.00 0.98 0.00 0.00 173.24 174.69 1ggl s GLN 13 N -2.48 1.01 -0.20 4.02 -2.07 -1.26 -0.84 119.66 117.83 1ggl s GLN 13 Ca 0.11 -0.36 -0.12 0.00 -1.82 0.00 0.00 55.36 53.17 1ggl s GLN 13 Cb 0.01 0.46 0.06 0.00 -1.09 0.00 0.00 33.01 32.46 1ggl s GLN 13 CO -0.04 -0.44 0.49 -1.59 -1.32 0.00 0.00 175.29 172.39 1ggl s LYS 14 N -3.34 0.50 0.00 9.60 -2.85 -0.39 -4.95 119.74 118.31 1ggl s LYS 14 Ca 0.03 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 1ggl s LYS 14 Cb -0.01 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 1ggl s LYS 14 CO -0.10 -0.14 0.00 0.09 0.10 0.00 0.00 175.35 175.29 1ggl n ASN 15 N 4.06 -1.41 -0.10 0.03 4.13 -1.26 -2.55 115.26 118.15 1ggl n ASN 15 Ca -0.21 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.10 1ggl n ASN 15 Cb 0.56 -0.47 0.38 0.00 -1.54 0.00 0.00 39.78 38.71 1ggl n ASN 15 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1ggl h MET 16 N 0.00 0.66 -0.81 3.52 1.85 -1.92 -2.62 114.93 115.61 1ggl h MET 16 Ca 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1ggl h MET 16 Cb 0.72 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 32.56 1ggl h MET 16 CO 0.00 0.44 0.52 1.49 -0.40 0.00 0.00 176.91 178.96 1ggl h GLU 17 N 0.68 1.08 0.00 0.39 4.57 -1.92 -2.42 114.58 116.96 1ggl h GLU 17 Ca 0.23 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1ggl h GLU 17 Cb 0.08 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1ggl h GLU 17 CO -0.06 0.74 -0.34 -0.44 -1.18 0.00 0.00 179.01 177.72 1ggl h ASP 18 N 1.11 0.00 0.11 1.04 3.45 -1.85 -2.23 116.42 118.05 1ggl h ASP 18 Ca 0.29 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 1ggl h ASP 18 Cb -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 1ggl h ASP 18 CO -0.06 0.34 -0.05 0.22 -1.57 0.00 0.00 179.24 178.12 1ggl h TYR 19 N 0.00 -0.14 0.00 4.55 3.20 -1.45 -3.10 116.97 120.03 1ggl h TYR 19 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1ggl h TYR 19 Cb 0.72 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1ggl h TYR 19 CO 0.00 0.26 0.00 -0.07 -1.64 0.00 0.00 178.16 176.71 1ggl h LEU 20 N -0.96 0.00 0.00 2.82 3.38 -1.45 -0.67 115.31 118.44 1ggl h LEU 20 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ggl h LEU 20 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ggl h LEU 20 CO 0.02 0.00 -1.03 -0.61 0.09 0.00 0.00 178.44 176.91 1ggl h GLN 21 N 0.00 0.00 0.00 1.13 4.15 -1.50 -1.24 115.11 117.65 1ggl h GLN 21 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1ggl h GLN 21 Cb 0.11 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1ggl h GLN 21 CO 0.00 0.24 -0.39 0.00 -1.93 0.00 0.00 178.83 176.75 1ggl h ALA 22 N 1.62 0.82 -0.55 3.38 0.00 -1.04 -2.74 119.26 120.75 1ggl h ALA 22 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ggl h ALA 22 Cb 1.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ggl h ALA 22 CO 0.04 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1ggl n LEU 23 N -3.31 3.84 -3.89 0.00 4.77 -1.08 -4.86 117.00 112.48 1ggl n LEU 23 Ca 0.01 -1.93 -0.32 0.00 -0.03 0.00 0.00 56.01 53.74 1ggl n LEU 23 Cb 0.62 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1ggl n LEU 23 CO 0.38 0.71 -0.18 0.59 -1.33 0.00 0.00 177.39 177.56 1ggl n ASN 24 N 0.97 -2.82 -4.80 -1.43 4.13 -1.03 -4.96 115.26 105.32 1ggl n ASN 24 Ca 0.21 -1.08 -0.37 0.00 1.68 0.00 0.00 54.58 55.02 1ggl n ASN 24 Cb 0.70 -2.86 -0.07 0.00 -1.54 0.00 0.00 39.78 36.02 1ggl n ASN 24 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ggl s ILE 25 N -3.72 5.28 0.38 2.41 1.01 -0.47 -5.04 121.20 121.06 1ggl s ILE 25 Ca 0.27 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.33 1ggl s ILE 25 Cb -0.11 -3.59 -0.10 0.00 0.01 0.00 0.00 42.46 38.67 1ggl s ILE 25 CO 0.90 0.50 -0.15 -1.20 0.00 0.00 0.00 174.94 175.00 1ggl n SER 26 N 2.68 -2.70 0.09 3.58 7.64 -1.26 -4.70 113.62 118.95 1ggl n SER 26 Ca -0.15 0.40 -0.13 0.00 1.01 0.00 0.00 58.87 60.01 1ggl n SER 26 Cb 0.53 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 63.08 1ggl n SER 26 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1ggl h LEU 27 N -0.09 -0.20 -0.72 -3.43 8.10 -1.98 -1.81 115.31 115.17 1ggl h LEU 27 Ca -0.28 -0.24 0.04 0.00 0.11 0.00 0.00 57.88 57.51 1ggl h LEU 27 Cb 0.97 0.05 -0.05 0.00 -0.44 0.00 0.00 40.66 41.19 1ggl h LEU 27 CO 0.27 0.14 0.44 0.00 -4.11 0.00 0.00 178.44 175.18 1ggl h ALA 28 N 0.16 0.95 0.00 0.17 0.00 -2.01 -0.55 119.26 117.99 1ggl h ALA 28 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ggl h ALA 28 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ggl h ALA 28 CO 0.04 0.19 -0.20 0.28 0.00 0.00 0.00 179.25 179.56 1ggl h VAL 29 N 0.84 0.54 0.00 0.00 2.07 -1.91 -2.81 116.25 114.98 1ggl h VAL 29 Ca 0.30 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1ggl h VAL 29 Cb 0.08 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1ggl h VAL 29 CO -0.14 0.20 -0.33 -0.09 0.02 0.00 0.00 177.57 177.23 1ggl h ARG 30 N 0.00 0.00 0.00 1.57 2.43 -0.21 -3.16 114.38 115.01 1ggl h ARG 30 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1ggl h ARG 30 Cb 0.66 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1ggl h ARG 30 CO 0.03 0.33 -1.10 0.87 -1.51 0.00 0.00 179.97 178.59 1ggl h LYS 31 N 0.00 0.00 -0.02 0.20 1.79 -1.13 -3.31 116.57 114.11 1ggl h LYS 31 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ggl h LYS 31 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1ggl h LYS 31 CO 0.04 0.52 -0.27 0.44 -1.08 0.00 0.00 179.45 179.10 1ggl n ILE 32 N -3.10 0.00 0.06 1.86 -6.64 -1.21 -3.71 119.36 106.62 1ggl n ILE 32 Ca -0.05 -0.25 -0.11 0.00 -1.77 0.00 0.00 62.75 60.56 1ggl n ILE 32 Cb 0.86 0.91 -0.13 0.00 -1.44 0.00 0.00 39.64 39.84 1ggl n ILE 32 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ggl h ALA 33 N 4.01 0.31 -0.08 -1.28 0.00 -1.64 -3.09 119.26 117.49 1ggl h ALA 33 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 54.91 53.86 1ggl h ALA 33 Cb 0.68 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ggl h ALA 33 CO 0.00 1.19 -0.23 -0.07 0.00 0.00 0.00 179.25 180.14 1ggl h LEU 34 N 0.03 0.13 -0.04 0.00 3.38 -1.65 -1.56 115.31 115.59 1ggl h LEU 34 Ca -0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ggl h LEU 34 Cb 1.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1ggl h LEU 34 CO 0.15 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1ggl n LEU 35 N -4.21 0.07 -4.91 1.67 4.77 -1.17 -4.85 117.00 108.36 1ggl n LEU 35 Ca -0.01 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.67 1ggl n LEU 35 Cb 0.32 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1ggl n LEU 35 CO 0.38 0.01 0.37 -0.76 -1.33 0.00 0.00 177.39 176.07 1ggl s LEU 36 N -1.45 3.74 -0.40 2.23 1.43 -0.59 -5.04 118.68 118.61 1ggl s LEU 36 Ca 0.22 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1ggl s LEU 36 Cb 0.10 -3.74 0.26 0.00 0.03 0.00 0.00 46.19 42.83 1ggl s LEU 36 CO 0.17 -0.49 0.57 0.29 0.23 0.00 0.00 176.35 177.12 1ggl n LYS 37 N -2.06 0.74 -1.91 1.70 4.01 -1.26 -5.06 118.16 114.31 1ggl n LYS 37 Ca -0.01 -3.09 -0.37 0.00 -0.51 0.00 0.00 58.31 54.33 1ggl n LYS 37 Cb 0.55 -1.27 0.04 0.00 -0.51 0.00 0.00 35.03 33.85 1ggl n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1ggl s PRO 38 N -1.09 2.88 0.31 1.97 0.04 -1.26 -4.79 135.00 133.05 1ggl s PRO 38 Ca 0.35 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.43 1ggl s PRO 38 Cb 0.19 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 1ggl s PRO 38 CO -0.12 -1.31 -0.12 -0.51 0.04 0.00 0.00 177.00 174.98 1ggl s ASP 39 N -1.46 3.42 -0.04 6.66 1.11 -1.07 -3.99 116.67 121.30 1ggl s ASP 39 Ca 0.78 -1.15 0.05 0.00 0.18 0.00 0.00 52.55 52.42 1ggl s ASP 39 Cb -0.34 -0.29 -0.01 0.00 1.07 0.00 0.00 42.92 43.36 1ggl s ASP 39 CO 0.37 -0.17 -0.20 -0.54 1.18 0.00 0.00 175.17 175.81 1ggl s LYS 40 N -3.61 1.94 -0.10 8.23 -0.14 -0.71 -2.06 119.74 123.28 1ggl s LYS 40 Ca 0.31 -0.71 0.01 0.00 -1.36 0.00 0.00 55.97 54.22 1ggl s LYS 40 Cb 0.01 -1.71 0.02 0.00 -1.68 0.00 0.00 37.83 34.47 1ggl s LYS 40 CO 0.15 0.32 -0.11 -2.00 -0.76 0.00 0.00 175.35 172.95 1ggl s GLU 41 N -0.13 1.75 -0.12 1.68 2.12 0.01 0.37 118.70 124.37 1ggl s GLU 41 Ca -0.01 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1ggl s GLU 41 Cb -0.11 -1.62 0.01 0.00 0.26 0.00 0.00 34.13 32.67 1ggl s GLU 41 CO 0.02 -0.15 -0.19 0.42 -0.54 0.00 0.00 175.26 174.83 1ggl s ILE 42 N 1.27 1.77 -0.31 -3.70 1.01 0.93 -0.44 121.20 121.72 1ggl s ILE 42 Ca -0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1ggl s ILE 42 Cb -0.14 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.78 1ggl s ILE 42 CO -0.04 0.49 0.05 -0.70 0.00 0.00 0.00 174.94 174.74 1ggl s GLU 43 N 0.90 2.63 -0.20 2.79 2.12 -1.06 -0.39 118.70 125.49 1ggl s GLU 43 Ca -0.07 -1.15 0.01 0.00 0.36 0.00 0.00 54.97 54.12 1ggl s GLU 43 Cb -0.15 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 30.96 1ggl s GLU 43 CO -0.02 -0.60 -0.15 -1.58 -0.54 0.00 0.00 175.26 172.38 1ggl s HIS 44 N 1.36 2.71 -0.56 5.30 5.65 -1.26 -2.31 115.29 126.17 1ggl s HIS 44 Ca -0.02 -1.72 0.04 0.00 0.25 0.00 0.00 55.06 53.61 1ggl s HIS 44 Cb -0.19 -1.81 0.16 0.00 -1.18 0.00 0.00 32.58 29.56 1ggl s HIS 44 CO 0.01 -0.79 0.39 -0.65 -0.65 0.00 0.00 174.74 173.05 1ggl s GLN 45 N 1.30 1.76 -0.08 2.88 -1.52 -0.80 -4.62 119.66 118.58 1ggl s GLN 45 Ca 0.00 -2.69 -0.06 0.00 -1.95 0.00 0.00 55.36 50.67 1ggl s GLN 45 Cb -0.15 -2.63 0.01 0.00 -0.22 0.00 0.00 33.01 30.02 1ggl s GLN 45 CO -0.10 -1.28 0.11 0.41 -0.25 0.00 0.00 175.29 174.18 1ggl n GLY 46 N 2.59 -0.01 0.00 3.09 0.00 -1.26 -3.10 105.19 106.51 1ggl n GLY 46 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1ggl n GLY 46 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ggl n ASN 47 N 0.68 0.00 -4.12 1.61 2.85 -1.26 -5.10 115.26 109.91 1ggl n ASN 47 Ca -0.02 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.25 1ggl n ASN 47 Cb 0.12 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.00 1ggl n ASN 47 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1ggl s HIS 48 N -2.10 1.15 0.00 1.20 2.46 -1.18 -3.29 115.29 113.54 1ggl s HIS 48 Ca 0.00 -0.33 -0.08 0.00 0.47 0.00 0.00 55.06 55.12 1ggl s HIS 48 Cb 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 32.58 31.76 1ggl s HIS 48 CO 0.00 0.02 0.15 -1.64 -2.47 0.00 0.00 174.74 170.80 1ggl s MET 49 N -1.02 0.51 -0.08 2.88 -1.94 -0.96 -1.90 119.30 116.78 1ggl s MET 49 Ca 0.01 -0.41 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1ggl s MET 49 Cb -0.07 0.21 0.02 0.00 2.01 0.00 0.00 34.83 36.99 1ggl s MET 49 CO 0.01 -0.12 -0.11 0.99 -0.01 0.00 0.00 175.02 175.78 1ggl s THR 50 N -1.47 1.10 -0.25 2.05 2.01 -0.98 -1.83 115.64 116.27 1ggl s THR 50 Ca -0.14 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1ggl s THR 50 Cb -0.07 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.47 1ggl s THR 50 CO 0.01 0.36 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 1ggl s VAL 51 N 0.97 1.74 -0.17 3.82 1.01 -0.36 -2.55 120.40 124.85 1ggl s VAL 51 Ca -0.09 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 1ggl s VAL 51 Cb -0.15 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1ggl s VAL 51 CO 0.00 -0.14 0.22 -0.13 0.00 0.00 0.00 175.10 175.05 1ggl s ARG 52 N 1.29 4.16 -0.14 2.72 0.52 0.41 -2.33 118.95 125.58 1ggl s ARG 52 Ca -0.05 -0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1ggl s ARG 52 Cb -0.19 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1ggl s ARG 52 CO -0.07 0.31 -0.18 0.99 0.02 0.00 0.00 175.30 176.37 1ggl s THR 53 N 0.28 2.42 -0.09 0.02 2.01 -0.67 -0.81 115.64 118.80 1ggl s THR 53 Ca 0.13 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1ggl s THR 53 Cb -0.12 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.41 1ggl s THR 53 CO 0.02 0.53 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.64 1ggl s LEU 54 N 0.77 1.26 0.34 4.42 1.43 -0.88 -1.11 118.68 124.92 1ggl s LEU 54 Ca -0.07 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1ggl s LEU 54 Cb -0.16 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1ggl s LEU 54 CO 0.00 -0.08 0.14 -0.94 0.23 0.00 0.00 176.35 175.70 1ggl s SER 55 N 1.43 2.08 -0.88 2.29 1.04 -1.23 -2.59 113.70 115.84 1ggl s SER 55 Ca -0.01 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1ggl s SER 55 Cb -0.13 0.37 0.28 0.00 0.10 0.00 0.00 66.02 66.64 1ggl s SER 55 CO -0.05 -0.87 1.13 1.07 0.98 0.00 0.00 173.24 175.50 1ggl n THR 56 N -0.71 3.93 0.00 2.02 5.66 -1.26 -4.47 114.28 119.45 1ggl n THR 56 Ca -0.02 -5.59 0.00 0.00 -3.05 0.00 0.00 64.05 55.40 1ggl n THR 56 Cb 0.65 -2.11 0.00 0.00 -1.55 0.00 0.00 70.33 67.32 1ggl n THR 56 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 1ggl n PHE 57 N 1.17 0.00 -1.81 1.09 7.35 -1.26 -5.11 117.46 118.90 1ggl n PHE 57 Ca 0.27 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1ggl n PHE 57 Cb 0.37 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.20 1ggl n PHE 57 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ggl n ARG 58 N -0.16 3.94 0.00 -4.13 3.00 -1.26 -5.16 116.66 112.89 1ggl n ARG 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1ggl n ARG 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ggl n ARG 58 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1ggl n ASN 59 N 0.00 0.00 -4.03 0.55 5.15 -1.26 -3.49 115.26 112.18 1ggl n ASN 59 Ca 0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.77 1ggl n ASN 59 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 1ggl n ASN 59 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ggl s TYR 60 N 0.00 1.07 0.08 1.20 5.04 -0.26 -4.99 117.35 119.49 1ggl s TYR 60 Ca 0.00 -0.27 0.09 0.00 -2.44 0.00 0.00 57.07 54.45 1ggl s TYR 60 Cb 0.00 -0.74 -0.04 0.00 0.35 0.00 0.00 41.96 41.53 1ggl s TYR 60 CO 0.00 -0.10 -0.21 0.99 -1.34 0.00 0.00 175.55 174.90 1ggl s THR 61 N 0.11 2.64 -0.01 4.34 2.01 -1.26 -1.66 115.64 121.81 1ggl s THR 61 Ca -0.02 -1.42 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 1ggl s THR 61 Cb -0.08 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1ggl s THR 61 CO 0.01 0.22 0.03 0.54 -0.69 0.00 0.00 174.62 174.72 1ggl s VAL 62 N -1.01 0.03 0.09 3.82 0.11 -0.98 -5.02 120.40 117.44 1ggl s VAL 62 Ca 0.15 -0.24 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1ggl s VAL 62 Cb -0.10 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1ggl s VAL 62 CO 0.07 -0.13 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.40 1ggl s GLN 63 N -0.39 1.10 0.11 1.54 -0.21 -1.26 -1.23 119.66 119.32 1ggl s GLN 63 Ca -0.04 -1.12 -0.25 0.00 0.02 0.00 0.00 55.36 53.97 1ggl s GLN 63 Cb -0.03 -1.32 0.08 0.00 1.00 0.00 0.00 33.01 32.74 1ggl s GLN 63 CO -0.00 0.31 1.09 -0.59 -2.12 0.00 0.00 175.29 173.98 1ggl s PHE 64 N -1.15 -0.02 -0.12 0.91 -0.12 -0.76 -5.03 117.98 111.70 1ggl s PHE 64 Ca 0.05 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.68 1ggl s PHE 64 Cb -0.10 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.95 1ggl s PHE 64 CO 0.04 -0.69 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.89 1ggl s ASP 65 N -3.22 2.34 0.48 1.98 1.11 -1.26 -2.28 116.67 115.82 1ggl s ASP 65 Ca 0.18 -0.38 -0.24 0.00 0.18 0.00 0.00 52.55 52.29 1ggl s ASP 65 Cb -0.00 -0.99 -0.07 0.00 1.07 0.00 0.00 42.92 42.92 1ggl s ASP 65 CO 0.02 -0.05 1.31 1.33 1.18 0.00 0.00 175.17 178.95 1ggl n VAL 66 N 4.59 3.12 -1.05 -1.27 0.24 -1.21 -2.53 118.33 120.23 1ggl n VAL 66 Ca -0.16 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.62 1ggl n VAL 66 Cb 0.50 -1.62 -0.01 0.00 -1.47 0.00 0.00 33.84 31.24 1ggl n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ggl n GLY 67 N 0.78 0.51 2.77 7.63 0.00 0.11 -4.99 105.19 112.00 1ggl n GLY 67 Ca 0.08 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1ggl n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggl s VAL 68 N -1.87 0.51 0.39 1.61 1.01 -1.05 -5.03 120.40 115.97 1ggl s VAL 68 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 1ggl s VAL 68 Cb 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1ggl s VAL 68 CO 0.00 0.04 1.29 -0.70 0.00 0.00 0.00 175.10 175.72 1ggl s GLU 69 N 1.89 4.04 0.05 2.72 2.12 -1.26 -4.67 118.70 123.59 1ggl s GLU 69 Ca 0.02 2.12 -0.13 0.00 0.36 0.00 0.00 54.97 57.34 1ggl s GLU 69 Cb -0.15 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.46 1ggl s GLU 69 CO -0.07 -0.42 0.29 -0.59 -0.54 0.00 0.00 175.26 173.93 1ggl s PHE 70 N -1.26 -0.07 -0.30 5.30 -0.71 -0.77 -4.98 117.98 115.18 1ggl s PHE 70 Ca 0.56 -0.09 -0.25 0.00 -1.04 0.00 0.00 56.93 56.10 1ggl s PHE 70 Cb -0.37 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.52 1ggl s PHE 70 CO 0.48 -0.50 0.86 -2.00 -1.34 0.00 0.00 175.22 172.72 1ggl s GLU 71 N -2.67 4.00 -0.25 1.99 2.12 -1.26 0.01 118.70 122.64 1ggl s GLU 71 Ca -0.04 0.73 -0.16 0.00 0.36 0.00 0.00 54.97 55.87 1ggl s GLU 71 Cb -0.00 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1ggl s GLU 71 CO -0.04 -0.72 0.41 -2.00 -0.54 0.00 0.00 175.26 172.36 1ggl s GLU 72 N 3.12 4.07 -0.55 4.30 2.12 0.17 -4.94 118.70 126.98 1ggl s GLU 72 Ca 0.36 0.14 -0.27 0.00 0.36 0.00 0.00 54.97 55.56 1ggl s GLU 72 Cb -0.14 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.66 1ggl s GLU 72 CO 0.13 -0.24 1.10 0.34 -0.54 0.00 0.00 175.26 176.05 1ggl s ASP 73 N 1.47 6.44 -0.28 -1.70 2.15 -1.26 -2.32 116.67 121.18 1ggl s ASP 73 Ca 0.17 0.02 0.09 0.00 0.43 0.00 0.00 52.55 53.26 1ggl s ASP 73 Cb -0.15 -2.51 0.47 0.00 -0.30 0.00 0.00 42.92 40.42 1ggl s ASP 73 CO 0.09 -1.36 1.37 0.18 -0.17 0.00 0.00 175.17 175.28 1ggl n LEU 74 N 8.02 3.83 0.05 -1.34 4.77 -0.88 -4.66 117.00 126.78 1ggl n LEU 74 Ca 0.07 -3.95 0.10 0.00 -0.03 0.00 0.00 56.01 52.19 1ggl n LEU 74 Cb 0.49 -0.58 0.42 0.00 -2.33 0.00 0.00 43.42 41.41 1ggl n LEU 74 CO 0.69 1.42 0.81 0.54 -1.33 0.00 0.00 177.39 179.52 1ggl n ARG 75 N -1.08 0.08 0.06 3.23 1.74 -1.21 -1.69 116.66 117.81 1ggl n ARG 75 Ca 0.30 0.27 -0.12 0.00 -0.77 0.00 0.00 57.85 57.53 1ggl n ARG 75 Cb 0.90 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 1ggl n ARG 75 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1ggl h SER 76 N 0.00 0.49 0.00 0.55 0.02 -1.91 -3.30 113.55 109.40 1ggl h SER 76 Ca 0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1ggl h SER 76 Cb 0.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ggl h SER 76 CO 0.00 1.16 -0.03 0.52 -1.14 0.00 0.00 176.83 177.34 1ggl n VAL 77 N -3.76 0.06 0.02 2.27 0.31 -0.82 -4.84 118.33 111.57 1ggl n VAL 77 Ca -0.06 0.49 0.01 0.00 -0.01 0.00 0.00 64.34 64.77 1ggl n VAL 77 Cb 0.80 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 32.21 1ggl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ggl n ASP 78 N -2.44 1.77 -0.02 4.52 5.75 -0.77 -5.01 116.55 120.36 1ggl n ASP 78 Ca -0.00 -1.63 -0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1ggl n ASP 78 Cb 0.02 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1ggl n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggl n GLY 79 N -0.13 0.47 0.00 6.12 0.00 -0.68 -4.97 105.19 106.00 1ggl n GLY 79 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ggl n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggl n ARG 80 N -2.81 1.97 -3.80 1.61 1.74 -1.23 -4.69 116.66 109.45 1ggl n ARG 80 Ca -0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.95 1ggl n ARG 80 Cb 0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.38 1ggl n ARG 80 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ggl s LYS 81 N -1.42 0.61 0.08 5.56 1.02 -1.26 -2.08 119.74 122.24 1ggl s LYS 81 Ca 0.00 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.68 1ggl s LYS 81 Cb 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1ggl s LYS 81 CO 0.00 -0.16 0.05 0.00 -0.92 0.00 0.00 175.35 174.32 1ggl s GLN 83 N -3.93 3.09 0.25 0.00 -1.52 -1.14 0.45 119.66 116.85 1ggl s GLN 83 Ca 0.10 -0.79 0.05 0.00 -1.95 0.00 0.00 55.36 52.77 1ggl s GLN 83 Cb 0.07 -3.98 -0.03 0.00 -0.22 0.00 0.00 33.01 28.85 1ggl s GLN 83 CO -0.08 -0.87 0.36 0.99 -0.25 0.00 0.00 175.29 175.44 1ggl s THR 84 N 2.13 5.06 -0.17 -0.19 2.01 0.10 -2.87 115.64 121.71 1ggl s THR 84 Ca 0.12 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 1ggl s THR 84 Cb -0.17 -3.77 0.07 0.00 0.01 0.00 0.00 72.50 68.63 1ggl s THR 84 CO 0.13 -0.31 0.38 -0.51 -0.69 0.00 0.00 174.62 173.62 1ggl s ILE 85 N -2.02 -0.22 -0.06 1.82 1.10 -1.14 -1.85 121.20 118.83 1ggl s ILE 85 Ca 0.35 0.14 0.05 0.00 -0.51 0.00 0.00 60.65 60.68 1ggl s ILE 85 Cb -0.09 -0.58 -0.02 0.00 0.15 0.00 0.00 42.46 41.92 1ggl s ILE 85 CO 0.29 0.06 -0.22 -0.69 -2.11 0.00 0.00 174.94 172.27 1ggl s VAL 86 N 1.78 2.38 0.21 4.00 1.01 -1.26 -2.66 120.40 125.86 1ggl s VAL 86 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ggl s VAL 86 Cb -0.10 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ggl s VAL 86 CO -0.12 0.57 0.09 0.35 0.00 0.00 0.00 175.10 175.99 1ggl n THR 87 N 2.84 0.00 -3.67 3.92 -2.24 -0.02 0.06 114.28 115.17 1ggl n THR 87 Ca -0.17 -1.27 -0.28 0.00 -2.27 0.00 0.00 64.05 60.06 1ggl n THR 87 Cb 0.52 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 1ggl n THR 87 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ggl s TRP 88 N -2.42 0.77 -0.14 4.78 -0.00 -1.26 -2.10 118.94 118.57 1ggl s TRP 88 Ca 0.13 -0.83 -0.23 0.00 -0.00 0.00 0.00 56.10 55.16 1ggl s TRP 88 Cb 0.01 -1.01 0.06 0.00 -0.00 0.00 0.00 33.47 32.53 1ggl s TRP 88 CO 0.09 -0.66 0.59 -1.83 -0.00 0.00 0.00 176.95 175.14 1ggl s GLU 89 N 1.94 0.82 -1.26 5.86 -1.05 -1.11 -4.86 118.70 119.04 1ggl s GLU 89 Ca 0.03 0.51 0.00 0.00 -0.15 0.00 0.00 54.97 55.36 1ggl s GLU 89 Cb -0.17 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1ggl s GLU 89 CO -0.16 -0.18 0.00 0.39 0.95 0.00 0.00 175.26 176.27 1ggl n GLU 90 N 1.96 -1.15 -3.47 -4.83 1.02 -1.26 -3.65 120.64 109.27 1ggl n GLU 90 Ca -0.16 0.72 -0.24 0.00 -0.02 0.00 0.00 57.16 57.46 1ggl n GLU 90 Cb 0.56 -5.02 0.01 0.00 -0.02 0.00 0.00 31.44 26.98 1ggl n GLU 90 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ggl n GLU 91 N -2.41 -1.76 0.00 3.49 4.71 -1.26 -5.00 120.64 118.41 1ggl n GLU 91 Ca -0.17 1.28 0.00 0.00 -0.01 0.00 0.00 57.16 58.26 1ggl n GLU 91 Cb 0.62 -3.16 0.00 0.00 -1.01 0.00 0.00 31.44 27.89 1ggl n GLU 91 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1ggl n HIS 92 N -1.36 0.00 -2.77 -0.32 1.44 -1.24 -4.86 115.22 106.11 1ggl n HIS 92 Ca -0.14 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.16 1ggl n HIS 92 Cb 0.63 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.71 1ggl n HIS 92 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1ggl s LEU 93 N 0.00 4.30 -0.10 2.39 2.96 0.14 -2.76 118.68 125.62 1ggl s LEU 93 Ca 0.00 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1ggl s LEU 93 Cb 0.00 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1ggl s LEU 93 CO 0.00 -0.31 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.82 1ggl s VAL 94 N 1.41 1.86 -0.03 1.68 1.01 -0.89 -1.90 120.40 123.54 1ggl s VAL 94 Ca 0.47 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1ggl s VAL 94 Cb -0.19 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1ggl s VAL 94 CO 0.22 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.76 1ggl s VAL 96 N 0.45 1.27 -0.72 0.00 -7.23 -1.09 -1.66 120.40 111.42 1ggl s VAL 96 Ca -0.07 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.51 1ggl s VAL 96 Cb -0.11 -1.16 0.19 0.00 0.56 0.00 0.00 36.38 35.86 1ggl s VAL 96 CO 0.01 0.39 0.57 -1.10 -0.31 0.00 0.00 175.10 174.66 1ggl s GLN 97 N 0.78 2.94 0.32 4.82 -0.21 0.24 -2.88 119.66 125.67 1ggl s GLN 97 Ca -0.12 -2.62 -0.29 0.00 0.02 0.00 0.00 55.36 52.35 1ggl s GLN 97 Cb -0.16 -3.94 -0.10 0.00 1.00 0.00 0.00 33.01 29.81 1ggl s GLN 97 CO 0.02 -1.21 1.29 0.15 -2.12 0.00 0.00 175.29 173.41 1ggl s LYS 98 N -0.20 4.39 0.00 2.91 -0.14 -1.14 -4.53 119.74 121.03 1ggl s LYS 98 Ca 0.19 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 56.97 1ggl s LYS 98 Cb -0.16 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 32.90 1ggl s LYS 98 CO -0.06 -0.15 0.00 0.41 -0.76 0.00 0.00 175.35 174.80 1ggl n GLY 99 N 0.88 -0.60 0.28 -3.33 0.00 -1.26 -2.90 105.19 98.27 1ggl n GLY 99 Ca 0.00 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ggl n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ggl h GLU 100 N 0.00 0.00 -5.29 1.61 4.81 -1.90 -3.42 114.58 110.39 1ggl h GLU 100 Ca 0.00 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.59 1ggl h GLU 100 Cb 0.00 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.14 1ggl h GLU 100 CO 0.00 0.00 -0.71 0.08 -0.73 0.00 0.00 179.01 177.65 1ggl s VAL 101 N -4.86 3.55 0.56 0.32 1.01 -1.26 -5.12 120.40 114.61 1ggl s VAL 101 Ca -0.05 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1ggl s VAL 101 Cb 0.16 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1ggl s VAL 101 CO 0.61 0.50 1.05 -2.16 0.00 0.00 0.00 175.10 175.10 1ggl s PRO 102 N 0.40 3.46 -1.42 2.72 0.04 -1.26 -3.99 135.00 134.95 1ggl s PRO 102 Ca -0.06 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 1ggl s PRO 102 Cb -0.15 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ggl s PRO 102 CO 0.04 -0.70 0.50 0.09 0.04 0.00 0.00 177.00 176.97 1ggl n ASN 103 N -1.77 -4.97 -4.67 6.66 5.03 -1.26 -2.32 115.26 111.96 1ggl n ASN 103 Ca 0.09 -0.28 -0.38 0.00 0.87 0.00 0.00 54.58 54.87 1ggl n ASN 103 Cb 0.53 -4.06 -0.07 0.00 -1.02 0.00 0.00 39.78 35.15 1ggl n ASN 103 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ggl s ARG 104 N -5.76 4.18 0.00 3.52 3.52 -1.26 -3.06 118.95 120.09 1ggl s ARG 104 Ca 0.31 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 1ggl s ARG 104 Cb -0.15 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1ggl s ARG 104 CO 0.38 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 1ggl n GLY 105 N 3.91 -0.94 3.85 8.12 0.00 -1.13 -0.60 105.19 118.40 1ggl n GLY 105 Ca -0.08 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 1ggl n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ggl s TRP 106 N -3.00 -0.17 -0.05 1.61 1.48 -0.67 -1.93 118.94 116.21 1ggl s TRP 106 Ca 0.00 -0.28 -0.04 0.00 -1.06 0.00 0.00 56.10 54.72 1ggl s TRP 106 Cb 0.00 0.71 0.02 0.00 -1.16 0.00 0.00 33.47 33.04 1ggl s TRP 106 CO 0.00 -1.21 0.13 1.03 -4.06 0.00 0.00 176.95 172.83 1ggl s ARG 107 N -3.80 0.13 -0.08 3.25 0.52 -0.69 -1.77 118.95 116.51 1ggl s ARG 107 Ca 0.11 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1ggl s ARG 107 Cb -0.06 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.42 1ggl s ARG 107 CO 0.07 -0.05 -0.20 -1.01 0.02 0.00 0.00 175.30 174.12 1ggl s HIS 108 N 0.34 2.16 0.06 -0.53 3.76 -0.80 -1.20 115.29 119.09 1ggl s HIS 108 Ca -0.02 -0.81 -0.12 0.00 -0.15 0.00 0.00 55.06 53.95 1ggl s HIS 108 Cb -0.04 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1ggl s HIS 108 CO -0.01 -0.33 0.27 1.67 -0.85 0.00 0.00 174.74 175.49 1ggl s TRP 109 N 0.33 -0.04 -0.00 1.40 -2.14 -0.96 -0.68 118.94 116.85 1ggl s TRP 109 Ca -0.14 -0.18 0.01 0.00 2.66 0.00 0.00 56.10 58.45 1ggl s TRP 109 Cb -0.16 0.06 -0.04 0.00 -3.10 0.00 0.00 33.47 30.23 1ggl s TRP 109 CO 0.06 -0.51 0.03 -0.51 -2.66 0.00 0.00 176.95 173.36 1ggl s LEU 110 N -2.26 3.65 -0.56 -4.66 1.43 -1.26 -1.08 118.68 113.94 1ggl s LEU 110 Ca -0.03 0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1ggl s LEU 110 Cb 0.00 -2.10 0.27 0.00 0.03 0.00 0.00 46.19 44.39 1ggl s LEU 110 CO -0.05 0.28 0.72 -0.62 0.23 0.00 0.00 176.35 176.91 1ggl n GLU 111 N 1.34 2.13 0.00 1.70 1.02 -0.89 -4.99 120.64 120.94 1ggl n GLU 111 Ca -0.14 -4.30 0.00 0.00 -0.02 0.00 0.00 57.16 52.69 1ggl n GLU 111 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1ggl n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggl n GLY 112 N 0.82 2.23 0.45 0.62 0.00 -1.26 -3.37 105.19 104.67 1ggl n GLY 112 Ca 0.28 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1ggl n GLY 112 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ggl n GLU 113 N 0.00 1.91 -4.47 1.61 1.02 -1.26 -4.98 120.64 114.47 1ggl n GLU 113 Ca 0.00 -1.60 -0.34 0.00 -0.02 0.00 0.00 57.16 55.20 1ggl n GLU 113 Cb 0.00 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 1ggl n GLU 113 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1ggl s MET 114 N -0.90 3.34 -0.34 3.49 -1.94 -1.22 -3.03 119.30 118.71 1ggl s MET 114 Ca 0.15 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 53.49 1ggl s MET 114 Cb 0.09 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 1ggl s MET 114 CO 0.12 0.41 0.23 -1.17 -0.01 0.00 0.00 175.02 174.60 1ggl s LEU 115 N -0.10 4.48 0.09 -0.03 2.96 -0.14 -2.10 118.68 123.84 1ggl s LEU 115 Ca 0.02 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1ggl s LEU 115 Cb -0.13 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1ggl s LEU 115 CO 0.03 -0.23 0.16 -0.31 -1.32 0.00 0.00 176.35 174.68 1ggl s TYR 116 N 1.72 3.34 -0.02 5.38 1.51 -0.25 -1.44 117.35 127.58 1ggl s TYR 116 Ca 0.06 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1ggl s TYR 116 Cb -0.17 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1ggl s TYR 116 CO 0.10 0.54 0.06 -1.17 -1.11 0.00 0.00 175.55 173.98 1ggl s LEU 117 N -2.64 1.63 -0.23 -1.29 2.96 -0.99 -2.25 118.68 115.87 1ggl s LEU 117 Ca 0.32 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1ggl s LEU 117 Cb -0.12 0.18 0.06 0.00 0.50 0.00 0.00 46.19 46.81 1ggl s LEU 117 CO 0.25 -0.04 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.50 1ggl s GLU 118 N 0.22 1.52 -0.27 1.98 2.12 -0.34 -2.32 118.70 121.62 1ggl s GLU 118 Ca -0.02 -0.93 -0.12 0.00 0.36 0.00 0.00 54.97 54.27 1ggl s GLU 118 Cb -0.02 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 1ggl s GLU 118 CO -0.01 -0.60 0.22 -0.51 -0.54 0.00 0.00 175.26 173.82 1ggl s LEU 119 N 1.44 4.05 0.12 2.70 1.43 -0.37 -1.71 118.68 126.34 1ggl s LEU 119 Ca -0.05 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1ggl s LEU 119 Cb -0.19 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1ggl s LEU 119 CO -0.06 -0.05 -0.11 0.42 0.23 0.00 0.00 176.35 176.77 1ggl s THR 120 N 1.64 3.24 -0.30 5.49 -4.23 -0.81 -0.35 115.64 120.32 1ggl s THR 120 Ca 0.09 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.06 1ggl s THR 120 Cb -0.15 -2.53 0.17 0.00 1.34 0.00 0.00 72.50 71.33 1ggl s THR 120 CO 0.09 0.07 1.08 0.00 -0.54 0.00 0.00 174.62 175.32 1ggl s ALA 121 N -1.28 -2.70 -0.36 3.99 0.00 -0.88 -2.84 121.76 117.69 1ggl s ALA 121 Ca 0.21 2.03 -0.32 0.00 0.00 0.00 0.00 51.96 53.88 1ggl s ALA 121 Cb -0.11 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.06 1ggl s ALA 121 CO 0.13 -0.71 0.54 0.54 0.00 0.00 0.00 175.76 176.26 1ggl n ARG 122 N 4.31 -1.56 0.00 0.00 1.74 -0.98 -0.79 116.66 119.39 1ggl n ARG 122 Ca -0.12 1.15 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 1ggl n ARG 122 Cb 0.55 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1ggl n ARG 122 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1ggl n ASP 123 N 0.05 0.00 -4.89 0.55 10.43 -1.26 -4.93 116.55 116.51 1ggl n ASP 123 Ca -0.07 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 56.99 1ggl n ASP 123 Cb 0.56 -0.17 -0.02 0.00 1.84 0.00 0.00 41.12 43.32 1ggl n ASP 123 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ggl s ALA 124 N -0.18 3.39 -0.19 2.24 0.00 0.03 -5.09 121.76 121.95 1ggl s ALA 124 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 1ggl s ALA 124 Cb 0.00 -2.64 0.07 0.00 0.00 0.00 0.00 23.12 20.55 1ggl s ALA 124 CO 0.00 -0.08 0.46 0.08 0.00 0.00 0.00 175.76 176.22 1ggl s VAL 125 N -2.44 -0.17 0.04 0.00 1.01 -1.26 -2.08 120.40 115.50 1ggl s VAL 125 Ca 0.50 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.63 1ggl s VAL 125 Cb -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1ggl s VAL 125 CO 0.35 0.04 -0.14 0.00 0.00 0.00 0.00 175.10 175.34 1ggl s GLU 127 N -1.51 2.04 0.14 0.00 2.12 -1.06 -1.24 118.70 119.20 1ggl s GLU 127 Ca 0.16 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.94 1ggl s GLU 127 Cb -0.11 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 1ggl s GLU 127 CO 0.07 0.17 -0.15 -0.65 -0.54 0.00 0.00 175.26 174.15 1ggl s GLN 128 N 0.29 1.12 0.04 4.30 -0.21 -0.98 -1.26 119.66 122.96 1ggl s GLN 128 Ca -0.10 -1.33 0.02 0.00 0.02 0.00 0.00 55.36 53.97 1ggl s GLN 128 Cb -0.14 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1ggl s GLN 128 CO 0.04 0.19 -0.08 0.08 -2.12 0.00 0.00 175.29 173.41 1ggl s VAL 129 N -2.29 0.54 0.11 1.09 1.01 -0.02 -2.36 120.40 118.48 1ggl s VAL 129 Ca 0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1ggl s VAL 129 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1ggl s VAL 129 CO 0.04 -0.30 0.19 -0.36 0.00 0.00 0.00 175.10 174.67 1ggl s PHE 130 N -1.19 0.27 -0.05 5.22 0.40 -0.52 -1.57 117.98 120.55 1ggl s PHE 130 Ca -0.08 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1ggl s PHE 130 Cb -0.09 -0.10 -0.00 0.00 0.51 0.00 0.00 43.02 43.34 1ggl s PHE 130 CO 0.00 -0.58 -0.17 0.50 0.70 0.00 0.00 175.22 175.68 1ggl s ARG 131 N -3.90 1.78 -0.11 0.44 3.52 -0.58 -0.97 118.95 119.13 1ggl s ARG 131 Ca 0.09 -0.59 -0.28 0.00 -0.13 0.00 0.00 55.73 54.82 1ggl s ARG 131 Cb 0.05 -1.54 -0.01 0.00 -1.56 0.00 0.00 34.95 31.89 1ggl s ARG 131 CO -0.07 0.22 0.95 0.21 -0.81 0.00 0.00 175.30 175.79 1ggl s LYS 132 N 0.11 4.40 -0.01 5.12 2.20 -1.17 -0.53 119.74 129.87 1ggl s LYS 132 Ca -0.05 1.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.85 1ggl s LYS 132 Cb -0.12 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.67 1ggl s LYS 132 CO 0.02 -0.28 0.69 1.55 -0.36 0.00 0.00 175.35 176.97 1ggl n VAL 133 N 4.51 0.18 -0.37 4.02 3.14 -0.83 -4.97 118.33 124.00 1ggl n VAL 133 Ca 0.07 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1ggl n VAL 133 Cb 0.49 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 1ggl n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94