#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggl n PRO 2 N 0.00 0.00 -4.08 0.54 -0.04 -1.26 -4.74 135.00 125.43 1ggl n PRO 2 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1ggl n PRO 2 Cb 0.00 -0.69 -0.16 0.00 -0.04 0.00 0.00 33.50 32.62 1ggl n PRO 2 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ggl s ASN 3 N -1.51 3.75 0.00 3.54 3.04 -1.26 -5.01 114.94 117.48 1ggl s ASN 3 Ca 0.00 -1.01 0.00 0.00 0.04 0.00 0.00 52.86 51.89 1ggl s ASN 3 Cb 0.00 -1.47 0.00 0.00 -1.54 0.00 0.00 41.25 38.24 1ggl s ASN 3 CO 0.00 -0.11 0.19 0.18 -3.04 0.00 0.00 177.10 174.32 1ggl n LEU 4 N 4.55 0.00 -4.75 3.21 4.32 -1.26 -4.82 117.00 118.24 1ggl n LEU 4 Ca -0.17 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.43 1ggl n LEU 4 Cb 0.46 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.29 1ggl n LEU 4 CO 0.23 0.00 1.03 0.35 -1.22 0.00 0.00 177.39 177.78 1ggl n THR 5 N -0.62 3.49 -0.48 -5.08 -2.24 -1.26 -4.74 114.28 103.35 1ggl n THR 5 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1ggl n THR 5 Cb 0.00 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 1ggl n THR 5 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ggl n GLY 6 N 0.67 0.61 3.20 3.38 0.00 -0.41 -4.97 105.19 107.68 1ggl n GLY 6 Ca 0.08 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.95 2.03 -0.09 1.61 5.04 -1.26 0.20 117.35 122.93 1ggl s TYR 7 Ca 0.00 -0.56 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 1ggl s TYR 7 Cb 0.00 -1.34 0.01 0.00 0.35 0.00 0.00 41.96 40.98 1ggl s TYR 7 CO 0.00 -0.16 -0.16 0.71 -1.34 0.00 0.00 175.55 174.59 1ggl s TYR 8 N -0.13 1.91 -0.03 4.97 2.02 0.10 -0.25 117.35 125.94 1ggl s TYR 8 Ca -0.02 -0.80 -0.15 0.00 -0.37 0.00 0.00 57.07 55.74 1ggl s TYR 8 Cb -0.12 -1.35 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 1ggl s TYR 8 CO 0.02 -0.38 0.41 0.50 -1.57 0.00 0.00 175.55 174.53 1ggl s ARG 9 N 0.69 4.00 0.46 -0.62 3.52 0.13 -1.32 118.95 125.80 1ggl s ARG 9 Ca -0.13 0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 55.64 1ggl s ARG 9 Cb -0.16 -3.27 -0.11 0.00 -1.56 0.00 0.00 34.95 29.85 1ggl s ARG 9 CO 0.03 0.58 0.69 0.34 -0.81 0.00 0.00 175.30 176.13 1ggl n PHE 10 N 2.22 -0.01 0.00 5.12 7.35 -1.24 0.25 117.46 131.14 1ggl n PHE 10 Ca -0.13 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.11 1ggl n PHE 10 Cb 0.52 -2.05 0.00 0.00 0.35 0.00 0.00 39.48 38.30 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 -3.62 -2.13 0.31 -0.39 -4.68 118.33 106.86 1ggl n VAL 11 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1ggl n VAL 11 Cb 0.41 -0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 32.85 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 -4.31 -0.09 0.37 4.52 1.04 -1.09 -5.00 113.70 109.14 1ggl s SER 12 Ca 0.00 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 1ggl s SER 12 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1ggl s SER 12 CO 0.00 -0.12 0.55 0.00 0.98 0.00 0.00 173.24 174.65 1ggl s GLN 13 N -1.74 2.05 -0.29 4.02 -2.07 -1.26 -0.62 119.66 119.75 1ggl s GLN 13 Ca 0.09 -1.75 -0.17 0.00 -1.82 0.00 0.00 55.36 51.71 1ggl s GLN 13 Cb -0.01 0.49 0.15 0.00 -1.09 0.00 0.00 33.01 32.54 1ggl s GLN 13 CO -0.05 -0.88 1.01 0.21 -1.32 0.00 0.00 175.29 174.26 1ggl s LYS 14 N -2.75 0.37 -0.54 9.60 2.20 -0.52 -4.99 119.74 123.11 1ggl s LYS 14 Ca 0.28 0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.49 1ggl s LYS 14 Cb -0.02 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1ggl s LYS 14 CO 0.20 -0.07 0.10 0.09 -0.36 0.00 0.00 175.35 175.31 1ggl n ASN 15 N 3.42 -2.81 -0.23 1.43 5.03 -1.26 -2.62 115.26 118.22 1ggl n ASN 15 Ca -0.17 -0.05 -0.07 0.00 0.87 0.00 0.00 54.58 55.15 1ggl n ASN 15 Cb 0.57 -1.93 0.04 0.00 -1.02 0.00 0.00 39.78 37.44 1ggl n ASN 15 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1ggl h MET 16 N -0.24 0.97 -0.64 3.52 4.05 -1.91 -3.00 114.93 117.68 1ggl h MET 16 Ca -0.17 -0.18 0.12 0.00 -0.28 0.00 0.00 59.70 59.19 1ggl h MET 16 Cb 1.12 -0.15 -0.12 0.00 -0.80 0.00 0.00 31.60 31.64 1ggl h MET 16 CO 0.19 0.82 -0.27 1.49 0.23 0.00 0.00 176.91 179.37 1ggl h GLU 17 N 0.91 -0.09 -0.84 0.39 4.57 -1.91 -1.37 114.58 116.23 1ggl h GLU 17 Ca 0.21 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1ggl h GLU 17 Cb 0.22 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1ggl h GLU 17 CO -0.02 -0.06 0.56 -0.44 -1.18 0.00 0.00 179.01 177.87 1ggl h ASP 18 N -0.10 0.96 0.03 1.04 3.32 -1.91 -1.82 116.42 117.95 1ggl h ASP 18 Ca 0.28 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1ggl h ASP 18 Cb 0.54 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ggl h ASP 18 CO -0.70 0.69 -0.02 0.22 -1.72 0.00 0.00 179.24 177.71 1ggl h TYR 19 N 1.13 -0.04 0.00 4.55 3.20 -1.23 -2.48 116.97 122.09 1ggl h TYR 19 Ca 0.31 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1ggl h TYR 19 Cb -0.12 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1ggl h TYR 19 CO -0.01 0.22 0.00 -0.07 -1.64 0.00 0.00 178.16 176.66 1ggl h LEU 20 N -0.30 0.00 0.00 2.82 -0.00 -1.23 -1.67 115.31 114.92 1ggl h LEU 20 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1ggl h LEU 20 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1ggl h LEU 20 CO 0.01 0.00 -0.68 1.56 -0.00 0.00 0.00 178.44 179.32 1ggl h GLN 21 N 0.00 0.00 0.00 1.13 4.20 -1.22 -1.49 115.11 117.73 1ggl h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ggl h GLN 21 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1ggl h GLN 21 CO 0.00 0.02 -0.21 0.00 -0.67 0.00 0.00 178.83 177.97 1ggl n ALA 22 N -2.16 2.54 -0.26 3.87 0.00 -0.64 -2.73 120.51 121.12 1ggl n ALA 22 Ca 0.01 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1ggl n ALA 22 Cb 0.56 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.92 1ggl n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ggl n LEU 23 N -2.10 3.68 -3.76 0.00 4.77 -1.12 -4.83 117.00 113.63 1ggl n LEU 23 Ca 0.05 -1.94 -0.26 0.00 -0.03 0.00 0.00 56.01 53.82 1ggl n LEU 23 Cb 0.42 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1ggl n LEU 23 CO 0.32 0.91 0.13 0.59 -1.33 0.00 0.00 177.39 178.01 1ggl n ASN 24 N 1.39 -4.63 -4.76 -1.43 5.03 -1.10 -4.97 115.26 104.79 1ggl n ASN 24 Ca 0.21 -0.70 -0.39 0.00 0.87 0.00 0.00 54.58 54.57 1ggl n ASN 24 Cb 0.58 -4.33 -0.06 0.00 -1.02 0.00 0.00 39.78 34.95 1ggl n ASN 24 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ggl s ILE 25 N -3.36 4.85 0.96 2.41 1.01 -0.56 -5.03 121.20 121.47 1ggl s ILE 25 Ca 0.51 1.34 -0.14 0.00 0.00 0.00 0.00 60.65 62.36 1ggl s ILE 25 Cb -0.25 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1ggl s ILE 25 CO 0.79 0.42 0.10 -1.54 0.00 0.00 0.00 174.94 174.71 1ggl n SER 26 N 2.66 -3.07 -0.08 3.58 3.41 -1.26 -4.70 113.62 114.16 1ggl n SER 26 Ca -0.06 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1ggl n SER 26 Cb 0.51 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 1ggl n SER 26 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ggl h LEU 27 N -1.43 0.69 -2.06 1.04 6.46 -1.96 -0.21 115.31 117.84 1ggl h LEU 27 Ca -0.44 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 56.88 1ggl h LEU 27 Cb 1.29 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.02 1ggl h LEU 27 CO 0.31 1.03 0.09 0.00 -0.62 0.00 0.00 178.44 179.25 1ggl h ALA 28 N 0.68 2.05 0.00 1.25 0.00 -2.00 -2.23 119.26 119.01 1ggl h ALA 28 Ca 0.04 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1ggl h ALA 28 Cb 0.84 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1ggl h ALA 28 CO 0.07 -0.15 -1.78 0.28 0.00 0.00 0.00 179.25 177.67 1ggl n VAL 29 N -4.40 0.76 -1.21 0.00 0.31 -1.16 -4.30 118.33 108.33 1ggl n VAL 29 Ca -0.00 -0.65 -0.27 0.00 -0.01 0.00 0.00 64.34 63.41 1ggl n VAL 29 Cb 0.21 -0.38 0.14 0.00 -0.91 0.00 0.00 33.84 32.90 1ggl n VAL 29 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1ggl n ARG 30 N -2.62 2.35 0.00 5.55 1.85 -0.10 -3.30 116.66 120.39 1ggl n ARG 30 Ca -0.12 -3.02 0.00 0.00 -1.00 0.00 0.00 57.85 53.72 1ggl n ARG 30 Cb 0.78 -2.18 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1ggl n ARG 30 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ggl n LYS 31 N -1.03 0.00 -0.09 2.89 4.76 -1.18 -4.54 118.16 118.97 1ggl n LYS 31 Ca 0.59 -0.18 -0.13 0.00 -2.87 0.00 0.00 58.31 55.73 1ggl n LYS 31 Cb 1.34 -0.43 -0.06 0.00 -1.84 0.00 0.00 35.03 34.04 1ggl n LYS 31 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ggl n ILE 32 N 0.00 1.47 -0.34 -0.18 5.41 -1.22 -4.33 119.36 120.17 1ggl n ILE 32 Ca 0.00 0.08 0.24 0.00 1.00 0.00 0.00 62.75 64.07 1ggl n ILE 32 Cb 0.35 -2.23 0.51 0.00 -0.71 0.00 0.00 39.64 37.56 1ggl n ILE 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ggl h ALA 33 N -0.85 2.23 0.00 -1.39 0.00 -1.83 0.29 119.26 117.72 1ggl h ALA 33 Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ggl h ALA 33 Cb 0.92 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ggl h ALA 33 CO -0.10 -0.68 0.00 1.28 0.00 0.00 0.00 179.25 179.75 1ggl n LEU 34 N -4.68 0.29 -0.47 0.00 4.77 -1.26 -2.10 117.00 113.54 1ggl n LEU 34 Ca 0.27 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.90 1ggl n LEU 34 Cb 0.93 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1ggl n LEU 34 CO 0.23 -0.45 0.39 0.18 -1.33 0.00 0.00 177.39 176.40 1ggl n LEU 35 N -1.83 1.90 -4.86 2.23 4.77 0.09 -5.01 117.00 114.29 1ggl n LEU 35 Ca 0.02 -0.91 -0.31 0.00 -0.03 0.00 0.00 56.01 54.78 1ggl n LEU 35 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1ggl n LEU 35 CO 0.14 0.35 0.72 -0.76 -1.33 0.00 0.00 177.39 176.51 1ggl s LEU 36 N -1.42 3.16 -0.40 2.23 1.43 -0.89 -5.04 118.68 117.75 1ggl s LEU 36 Ca 0.14 1.42 0.09 0.00 -1.03 0.00 0.00 54.13 54.75 1ggl s LEU 36 Cb 0.11 -4.40 0.28 0.00 0.03 0.00 0.00 46.19 42.21 1ggl s LEU 36 CO 0.23 -1.06 0.59 0.29 0.23 0.00 0.00 176.35 176.63 1ggl n LYS 37 N -2.87 0.88 -1.67 1.70 5.02 -1.26 -5.07 118.16 114.90 1ggl n LYS 37 Ca 0.06 -3.34 -0.35 0.00 -2.02 0.00 0.00 58.31 52.66 1ggl n LYS 37 Cb 0.54 -1.39 0.07 0.00 -0.02 0.00 0.00 35.03 34.23 1ggl n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ggl s PRO 38 N -1.58 2.50 0.28 1.97 0.04 -1.26 -4.70 135.00 132.24 1ggl s PRO 38 Ca 0.37 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.29 1ggl s PRO 38 Cb 0.22 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 1ggl s PRO 38 CO -0.10 -1.56 -0.19 -0.51 0.04 0.00 0.00 177.00 174.68 1ggl s ASP 39 N -1.91 3.51 -0.07 6.66 1.01 -0.56 -3.71 116.67 121.59 1ggl s ASP 39 Ca 0.75 -1.03 0.03 0.00 0.71 0.00 0.00 52.55 53.01 1ggl s ASP 39 Cb -0.29 -0.29 -0.02 0.00 1.01 0.00 0.00 42.92 43.33 1ggl s ASP 39 CO 0.41 0.02 -0.15 -0.54 0.21 0.00 0.00 175.17 175.11 1ggl s LYS 40 N -3.52 2.74 -0.06 8.23 -0.14 -0.43 -1.66 119.74 124.89 1ggl s LYS 40 Ca 0.29 -0.72 0.03 0.00 -1.36 0.00 0.00 55.97 54.22 1ggl s LYS 40 Cb -0.04 -2.42 0.01 0.00 -1.68 0.00 0.00 37.83 33.69 1ggl s LYS 40 CO 0.14 0.49 -0.14 -2.00 -0.76 0.00 0.00 175.35 173.08 1ggl s GLU 41 N -0.37 1.78 -0.02 1.68 2.12 -0.72 0.01 118.70 123.17 1ggl s GLU 41 Ca 0.04 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1ggl s GLU 41 Cb -0.12 -1.48 0.01 0.00 0.26 0.00 0.00 34.13 32.79 1ggl s GLU 41 CO 0.02 0.10 -0.07 0.42 -0.54 0.00 0.00 175.26 175.20 1ggl s ILE 42 N 0.45 0.60 -0.11 -3.70 1.01 0.13 -1.26 121.20 118.32 1ggl s ILE 42 Ca -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1ggl s ILE 42 Cb -0.14 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1ggl s ILE 42 CO 0.04 0.20 -0.15 -1.61 0.00 0.00 0.00 174.94 173.42 1ggl s GLU 43 N 0.32 3.19 -0.30 2.79 0.41 -0.50 -1.29 118.70 123.33 1ggl s GLU 43 Ca -0.04 -0.72 -0.03 0.00 -0.41 0.00 0.00 54.97 53.77 1ggl s GLU 43 Cb -0.09 -2.54 0.10 0.00 -1.78 0.00 0.00 34.13 29.83 1ggl s GLU 43 CO 0.00 0.28 0.13 -1.58 -0.49 0.00 0.00 175.26 173.60 1ggl s HIS 44 N 0.17 0.65 -0.79 1.61 5.65 -1.26 -1.38 115.29 119.94 1ggl s HIS 44 Ca -0.08 -1.14 0.02 0.00 0.25 0.00 0.00 55.06 54.11 1ggl s HIS 44 Cb -0.15 -1.08 0.23 0.00 -1.18 0.00 0.00 32.58 30.40 1ggl s HIS 44 CO 0.05 -0.84 0.77 1.04 -0.65 0.00 0.00 174.74 175.12 1ggl n GLN 45 N 5.04 2.60 -3.50 2.88 6.02 -0.71 -4.82 117.38 124.89 1ggl n GLN 45 Ca -0.03 -4.55 -0.18 0.00 -0.01 0.00 0.00 57.00 52.22 1ggl n GLN 45 Cb 0.41 -2.34 0.00 0.00 1.02 0.00 0.00 30.24 29.33 1ggl n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ggl n GLY 46 N 1.65 -1.14 0.00 1.08 0.00 -1.26 -3.72 105.19 101.81 1ggl n GLY 46 Ca 0.24 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 -1.99 0.00 -4.18 1.61 2.85 -1.26 -5.08 115.26 107.21 1ggl n ASN 47 Ca -0.18 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.00 1ggl n ASN 47 Cb 0.62 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.48 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 -2.45 2.08 0.15 1.20 2.46 -1.24 -1.78 115.29 115.70 1ggl s HIS 48 Ca 0.00 -0.69 0.07 0.00 0.47 0.00 0.00 55.06 54.91 1ggl s HIS 48 Cb 0.00 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 31.01 1ggl s HIS 48 CO 0.00 -0.25 -0.15 -1.64 -2.47 0.00 0.00 174.74 170.23 1ggl s MET 49 N 0.13 1.14 -0.23 2.88 -1.94 -0.04 -1.74 119.30 119.50 1ggl s MET 49 Ca -0.08 -1.35 -0.02 0.00 -1.71 0.00 0.00 55.69 52.53 1ggl s MET 49 Cb -0.14 -1.04 0.07 0.00 2.01 0.00 0.00 34.83 35.73 1ggl s MET 49 CO 0.04 0.20 0.04 0.99 -0.01 0.00 0.00 175.02 176.28 1ggl s THR 50 N -2.31 0.71 -0.25 2.05 2.01 -0.48 -1.88 115.64 115.49 1ggl s THR 50 Ca 0.13 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.22 1ggl s THR 50 Cb -0.04 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1ggl s THR 50 CO 0.04 -0.33 0.04 -0.69 -0.69 0.00 0.00 174.62 173.00 1ggl s VAL 51 N 1.75 4.01 -0.09 3.82 1.01 -0.91 -1.41 120.40 128.58 1ggl s VAL 51 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ggl s VAL 51 Cb -0.17 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1ggl s VAL 51 CO -0.13 0.31 -0.08 -0.13 0.00 0.00 0.00 175.10 175.08 1ggl s ARG 52 N 1.56 2.96 -0.31 2.72 0.52 -0.39 -2.03 118.95 123.98 1ggl s ARG 52 Ca 0.06 -0.57 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1ggl s ARG 52 Cb -0.15 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.73 1ggl s ARG 52 CO 0.02 0.54 0.04 0.99 0.02 0.00 0.00 175.30 176.90 1ggl s THR 53 N -0.47 3.36 -0.12 0.02 2.01 0.18 -1.76 115.64 118.86 1ggl s THR 53 Ca 0.07 -1.20 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 1ggl s THR 53 Cb -0.12 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1ggl s THR 53 CO 0.02 -0.09 0.03 -0.76 -0.69 0.00 0.00 174.62 173.13 1ggl s LEU 54 N 1.34 3.74 0.00 4.42 1.43 -0.67 -0.81 118.68 128.13 1ggl s LEU 54 Ca -0.03 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1ggl s LEU 54 Cb -0.19 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1ggl s LEU 54 CO 0.00 0.32 0.63 -1.54 0.23 0.00 0.00 176.35 175.99 1ggl n SER 55 N 2.55 -1.81 -0.17 2.29 3.41 -1.25 -1.50 113.62 117.14 1ggl n SER 55 Ca -0.18 -2.58 0.14 0.00 -0.26 0.00 0.00 58.87 55.98 1ggl n SER 55 Cb 0.53 3.11 0.49 0.00 -0.26 0.00 0.00 64.21 68.09 1ggl n SER 55 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ggl n THR 56 N -0.51 0.00 -0.05 6.66 -2.24 -1.26 -4.26 114.28 112.62 1ggl n THR 56 Ca -0.05 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 1ggl n THR 56 Cb 0.55 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 1ggl n THR 56 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1ggl n PHE 57 N -0.85 0.38 -3.45 4.78 7.35 -1.26 -5.07 117.46 119.35 1ggl n PHE 57 Ca 0.13 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.85 1ggl n PHE 57 Cb 0.31 -0.48 -0.03 0.00 0.35 0.00 0.00 39.48 39.63 1ggl n PHE 57 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ggl s ARG 58 N -1.90 1.20 0.14 -4.13 0.52 -1.26 -5.18 118.95 108.34 1ggl s ARG 58 Ca -0.12 -0.31 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1ggl s ARG 58 Cb 0.02 0.56 -0.04 0.00 0.52 0.00 0.00 34.95 36.00 1ggl s ARG 58 CO 0.18 -0.50 0.04 -0.80 0.02 0.00 0.00 175.30 174.24 1ggl s ASN 59 N -2.40 5.05 -0.05 0.23 0.01 -1.26 -3.96 114.94 112.56 1ggl s ASN 59 Ca -0.01 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1ggl s ASN 59 Cb -0.01 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1ggl s ASN 59 CO -0.08 0.11 -0.14 -0.47 -1.51 0.00 0.00 177.10 175.01 1ggl s TYR 60 N -1.60 1.49 0.04 2.20 5.04 0.01 -4.98 117.35 119.55 1ggl s TYR 60 Ca 0.28 -0.46 0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1ggl s TYR 60 Cb -0.10 -1.04 -0.02 0.00 0.35 0.00 0.00 41.96 41.15 1ggl s TYR 60 CO 0.20 -0.18 -0.16 0.99 -1.34 0.00 0.00 175.55 175.05 1ggl s THR 61 N 0.24 1.28 -0.08 4.34 2.01 -1.26 0.51 115.64 122.68 1ggl s THR 61 Ca -0.07 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 60.83 1ggl s THR 61 Cb -0.12 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.27 1ggl s THR 61 CO 0.02 0.09 0.21 0.54 -0.69 0.00 0.00 174.62 174.80 1ggl s VAL 62 N -0.80 -0.00 -0.03 3.82 0.11 -0.86 -5.03 120.40 117.60 1ggl s VAL 62 Ca 0.04 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 1ggl s VAL 62 Cb -0.08 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 1ggl s VAL 62 CO 0.01 0.00 -0.23 -1.10 -3.33 0.00 0.00 175.10 170.46 1ggl s GLN 63 N 0.19 2.27 0.23 1.54 -0.21 -1.26 -2.15 119.66 120.27 1ggl s GLN 63 Ca -0.01 -0.87 -0.22 0.00 0.02 0.00 0.00 55.36 54.29 1ggl s GLN 63 Cb -0.02 -2.14 0.04 0.00 1.00 0.00 0.00 33.01 31.88 1ggl s GLN 63 CO -0.00 0.55 0.75 -0.59 -2.12 0.00 0.00 175.29 173.88 1ggl s PHE 64 N -0.58 -0.24 -0.17 0.91 -0.12 -0.79 -5.03 117.98 111.96 1ggl s PHE 64 Ca 0.09 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.81 1ggl s PHE 64 Cb -0.11 0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1ggl s PHE 64 CO -0.00 -1.09 -0.12 -0.51 -0.05 0.00 0.00 175.22 173.45 1ggl s ASP 65 N -2.88 3.93 0.22 1.98 1.11 -1.26 -0.86 116.67 118.90 1ggl s ASP 65 Ca 0.10 -0.41 -0.30 0.00 0.18 0.00 0.00 52.55 52.12 1ggl s ASP 65 Cb -0.04 -1.62 -0.09 0.00 1.07 0.00 0.00 42.92 42.23 1ggl s ASP 65 CO 0.03 0.08 1.32 0.68 1.18 0.00 0.00 175.17 178.46 1ggl s VAL 66 N 0.87 3.10 0.00 -1.27 -7.23 -0.73 -2.78 120.40 112.36 1ggl s VAL 66 Ca -0.03 0.93 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 1ggl s VAL 66 Cb -0.15 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.20 1ggl s VAL 66 CO -0.00 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 1ggl n GLY 67 N 2.19 0.77 2.90 2.32 0.00 0.17 -4.99 105.19 108.54 1ggl n GLY 67 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.94 1.23 0.29 1.61 1.01 -1.12 -5.00 120.40 115.49 1ggl s VAL 68 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1ggl s VAL 68 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 36.38 34.80 1ggl s VAL 68 CO 0.00 0.03 1.51 1.21 0.00 0.00 0.00 175.10 177.85 1ggl n GLU 69 N 4.81 2.48 -3.96 2.72 2.13 -1.26 -4.63 120.64 122.92 1ggl n GLU 69 Ca -0.12 0.88 -0.09 0.00 0.66 0.00 0.00 57.16 58.49 1ggl n GLU 69 Cb 0.46 -2.61 -0.09 0.00 0.27 0.00 0.00 31.44 29.47 1ggl n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ggl s PHE 70 N -0.22 0.28 -0.20 4.31 -0.71 0.41 -4.97 117.98 116.89 1ggl s PHE 70 Ca 0.63 -0.67 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 1ggl s PHE 70 Cb -0.54 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.05 1ggl s PHE 70 CO 0.51 -0.38 0.66 -2.00 -1.34 0.00 0.00 175.22 172.67 1ggl s GLU 71 N -3.05 4.21 -0.17 1.99 2.12 -1.26 0.01 118.70 122.56 1ggl s GLU 71 Ca -0.01 0.67 -0.09 0.00 0.36 0.00 0.00 54.97 55.90 1ggl s GLU 71 Cb 0.01 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 1ggl s GLU 71 CO -0.07 -0.27 0.13 -2.00 -0.54 0.00 0.00 175.26 172.51 1ggl s GLU 72 N 2.01 3.94 -0.75 4.30 2.12 0.14 -4.94 118.70 125.52 1ggl s GLU 72 Ca 0.30 -0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.26 1ggl s GLU 72 Cb -0.16 -3.33 0.16 0.00 0.26 0.00 0.00 34.13 31.06 1ggl s GLU 72 CO 0.10 0.45 0.79 0.34 -0.54 0.00 0.00 175.26 176.40 1ggl s ASP 73 N -0.07 6.52 -0.35 -1.70 2.15 -1.26 -2.10 116.67 119.86 1ggl s ASP 73 Ca 0.10 -2.14 0.06 0.00 0.43 0.00 0.00 52.55 51.01 1ggl s ASP 73 Cb -0.11 -2.27 0.65 0.00 -0.30 0.00 0.00 42.92 40.89 1ggl s ASP 73 CO -0.00 -0.84 1.78 0.18 -0.17 0.00 0.00 175.17 176.11 1ggl n LEU 74 N 5.23 6.08 0.03 -1.34 4.77 -0.96 -4.51 117.00 126.29 1ggl n LEU 74 Ca 0.06 -3.20 0.10 0.00 -0.03 0.00 0.00 56.01 52.94 1ggl n LEU 74 Cb 0.45 -0.77 0.41 0.00 -2.33 0.00 0.00 43.42 41.18 1ggl n LEU 74 CO 0.46 0.88 0.80 0.54 -1.33 0.00 0.00 177.39 178.74 1ggl n ARG 75 N -0.52 0.05 0.09 3.23 1.74 -1.17 -1.48 116.66 118.59 1ggl n ARG 75 Ca 0.46 0.23 0.12 0.00 -0.77 0.00 0.00 57.85 57.89 1ggl n ARG 75 Cb 1.43 -1.58 0.24 0.00 -1.02 0.00 0.00 32.46 31.54 1ggl n ARG 75 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ggl h SER 76 N 0.00 0.00 0.00 0.55 0.87 -1.91 -3.33 113.55 109.73 1ggl h SER 76 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1ggl h SER 76 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1ggl h SER 76 CO 0.00 0.05 -0.06 0.52 -0.53 0.00 0.00 176.83 176.81 1ggl n VAL 77 N -2.30 0.10 -0.09 2.23 0.31 -0.55 -4.91 118.33 113.12 1ggl n VAL 77 Ca 0.04 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 1ggl n VAL 77 Cb 0.45 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 -2.63 0.42 0.00 4.52 5.75 -0.61 -5.01 116.55 118.99 1ggl n ASP 78 Ca -0.01 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1ggl n ASP 78 Cb 0.03 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.40 0.52 0.78 6.12 0.00 -0.95 -4.98 105.19 107.06 1ggl n GLY 79 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 0.75 -3.79 1.61 1.74 -1.24 -4.59 116.66 109.15 1ggl n ARG 80 Ca 0.00 -0.59 -0.13 0.00 -0.77 0.00 0.00 57.85 56.36 1ggl n ARG 80 Cb 0.00 -0.08 -0.11 0.00 -1.02 0.00 0.00 32.46 31.25 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 -2.67 0.37 0.25 5.56 1.02 -1.26 -2.27 119.74 120.73 1ggl s LYS 81 Ca 0.13 0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.38 1ggl s LYS 81 Cb -0.01 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 1ggl s LYS 81 CO 0.08 -0.06 0.06 0.00 -0.92 0.00 0.00 175.35 174.51 1ggl s GLN 83 N -3.97 3.00 0.31 0.00 -0.21 -0.78 0.28 119.66 118.29 1ggl s GLN 83 Ca 0.34 -2.92 -0.26 0.00 0.02 0.00 0.00 55.36 52.55 1ggl s GLN 83 Cb 0.07 -3.89 -0.10 0.00 1.00 0.00 0.00 33.01 30.09 1ggl s GLN 83 CO 0.12 -1.23 0.93 0.99 -2.12 0.00 0.00 175.29 173.98 1ggl s THR 84 N -0.72 4.24 -0.05 -0.19 2.01 0.10 -3.53 115.64 117.50 1ggl s THR 84 Ca 0.22 1.79 -0.01 0.00 0.31 0.00 0.00 61.69 64.00 1ggl s THR 84 Cb -0.13 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1ggl s THR 84 CO -0.08 0.15 0.02 -0.51 -0.69 0.00 0.00 174.62 173.51 1ggl s ILE 85 N -1.60 0.18 -0.09 1.82 1.10 -1.17 -0.45 121.20 120.99 1ggl s ILE 85 Ca 0.49 0.20 0.03 0.00 -0.51 0.00 0.00 60.65 60.86 1ggl s ILE 85 Cb -0.19 -0.35 -0.02 0.00 0.15 0.00 0.00 42.46 42.06 1ggl s ILE 85 CO 0.24 0.20 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.41 1ggl s VAL 86 N 1.76 2.72 0.20 4.00 1.01 -1.26 -2.60 120.40 126.22 1ggl s VAL 86 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1ggl s VAL 86 Cb -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1ggl s VAL 86 CO -0.03 0.56 0.02 0.42 0.00 0.00 0.00 175.10 176.06 1ggl s THR 87 N -0.07 0.72 -0.29 3.92 -4.23 0.05 0.45 115.64 116.19 1ggl s THR 87 Ca -0.04 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1ggl s THR 87 Cb -0.14 -2.26 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1ggl s THR 87 CO 0.04 -0.36 -0.02 0.86 -0.54 0.00 0.00 174.62 174.60 1ggl s TRP 88 N -3.63 3.15 0.06 3.99 -0.11 -1.26 -1.10 118.94 120.04 1ggl s TRP 88 Ca 0.27 -2.42 -0.06 0.00 1.22 0.00 0.00 56.10 55.11 1ggl s TRP 88 Cb 0.06 -2.21 -0.01 0.00 -1.50 0.00 0.00 33.47 29.81 1ggl s TRP 88 CO 0.07 -0.88 0.11 -1.83 -4.62 0.00 0.00 176.95 169.80 1ggl s GLU 89 N 1.13 0.71 -0.73 5.86 -1.05 -1.07 -4.81 118.70 118.74 1ggl s GLU 89 Ca 0.01 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1ggl s GLU 89 Cb -0.19 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1ggl s GLU 89 CO -0.08 -0.19 0.00 0.39 0.95 0.00 0.00 175.26 176.33 1ggl n GLU 90 N 0.24 -1.77 -2.38 -4.83 4.71 -1.26 -2.51 120.64 112.84 1ggl n GLU 90 Ca -0.16 0.68 -0.07 0.00 -0.01 0.00 0.00 57.16 57.60 1ggl n GLU 90 Cb 0.61 -4.96 0.03 0.00 -1.01 0.00 0.00 31.44 26.11 1ggl n GLU 90 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ggl n GLU 91 N -0.29 -1.30 0.00 3.49 4.71 -1.26 -5.06 120.64 120.93 1ggl n GLU 91 Ca -0.07 0.42 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 1ggl n GLU 91 Cb 0.50 -3.65 0.00 0.00 -1.01 0.00 0.00 31.44 27.28 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 -2.35 0.00 -3.01 -0.32 1.44 -1.05 -4.83 115.22 105.11 1ggl n HIS 92 Ca -0.04 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.26 1ggl n HIS 92 Cb 0.56 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.62 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 4.29 -0.10 2.39 2.96 0.56 -2.59 118.68 126.19 1ggl s LEU 93 Ca 0.00 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.13 1ggl s LEU 93 Cb 0.00 -3.12 0.00 0.00 0.50 0.00 0.00 46.19 43.57 1ggl s LEU 93 CO 0.00 -0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.95 1ggl s VAL 94 N 1.09 1.90 -0.07 1.68 1.01 -0.25 -1.33 120.40 124.42 1ggl s VAL 94 Ca 0.38 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ggl s VAL 94 Cb -0.18 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1ggl s VAL 94 CO 0.17 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.69 1ggl s VAL 96 N 0.89 2.06 -0.88 0.00 -7.23 -1.07 -1.49 120.40 112.69 1ggl s VAL 96 Ca -0.10 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1ggl s VAL 96 Cb -0.15 -1.86 0.19 0.00 0.56 0.00 0.00 36.38 35.12 1ggl s VAL 96 CO 0.01 0.54 0.92 -1.10 -0.31 0.00 0.00 175.10 175.16 1ggl s GLN 97 N 1.27 3.64 0.28 4.82 -0.21 0.78 -3.07 119.66 127.16 1ggl s GLN 97 Ca 0.04 -2.24 -0.29 0.00 0.02 0.00 0.00 55.36 52.89 1ggl s GLN 97 Cb -0.13 -4.62 -0.10 0.00 1.00 0.00 0.00 33.01 29.16 1ggl s GLN 97 CO -0.12 -1.47 1.36 0.15 -2.12 0.00 0.00 175.29 173.08 1ggl s LYS 98 N 1.05 4.33 0.00 2.91 1.02 -1.23 -4.53 119.74 123.29 1ggl s LYS 98 Ca 0.24 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1ggl s LYS 98 Cb -0.08 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1ggl s LYS 98 CO -0.09 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.47 1ggl n GLY 99 N 1.62 -0.53 0.36 -3.33 0.00 -1.26 -1.86 105.19 100.20 1ggl n GLY 99 Ca 0.04 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 0.75 -5.49 1.61 4.81 -1.90 -3.41 114.58 110.95 1ggl h GLU 100 Ca 0.00 -0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.59 1ggl h GLU 100 Cb 0.00 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.11 1ggl h GLU 100 CO 0.00 0.50 -0.35 0.08 -0.73 0.00 0.00 179.01 178.51 1ggl s VAL 101 N -5.72 5.32 0.38 0.32 1.01 -1.26 -5.09 120.40 115.36 1ggl s VAL 101 Ca -0.10 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1ggl s VAL 101 Cb 0.21 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 1ggl s VAL 101 CO 0.79 0.41 0.87 -2.16 0.00 0.00 0.00 175.10 175.01 1ggl s PRO 102 N 0.35 4.18 -1.39 2.72 0.04 -1.26 -3.95 135.00 135.70 1ggl s PRO 102 Ca 0.16 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1ggl s PRO 102 Cb -0.13 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1ggl s PRO 102 CO 0.03 0.06 0.00 0.09 0.04 0.00 0.00 177.00 177.23 1ggl n ASN 103 N -0.44 -4.62 -4.64 6.66 5.03 -1.26 -0.33 115.26 115.65 1ggl n ASN 103 Ca 0.05 0.12 -0.40 0.00 0.87 0.00 0.00 54.58 55.22 1ggl n ASN 103 Cb 0.53 -3.66 -0.07 0.00 -1.02 0.00 0.00 39.78 35.57 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 -4.25 4.14 0.00 3.52 3.00 -1.25 -2.74 118.95 121.38 1ggl s ARG 104 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 55.73 55.16 1ggl s ARG 104 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.35 1ggl s ARG 104 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.30 175.45 1ggl n GLY 105 N 4.07 -0.72 3.84 8.12 0.00 -1.00 -0.15 105.19 119.36 1ggl n GLY 105 Ca -0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.13 -0.04 1.61 1.48 -0.55 -1.68 118.94 116.62 1ggl s TRP 106 Ca 0.00 -0.35 -0.01 0.00 -1.06 0.00 0.00 56.10 54.68 1ggl s TRP 106 Cb 0.00 0.73 0.03 0.00 -1.16 0.00 0.00 33.47 33.07 1ggl s TRP 106 CO 0.00 -1.26 0.09 1.03 -4.06 0.00 0.00 176.95 172.75 1ggl s ARG 107 N -3.59 0.02 0.00 3.25 0.52 -0.38 -1.76 118.95 117.01 1ggl s ARG 107 Ca 0.12 0.29 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 1ggl s ARG 107 Cb -0.05 -0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 1ggl s ARG 107 CO 0.07 -0.18 -0.18 -1.01 0.02 0.00 0.00 175.30 174.03 1ggl s HIS 108 N 1.18 2.58 0.05 -0.53 3.76 -0.44 -1.16 115.29 120.73 1ggl s HIS 108 Ca -0.08 -0.24 -0.27 0.00 -0.15 0.00 0.00 55.06 54.31 1ggl s HIS 108 Cb -0.12 -1.52 0.08 0.00 1.11 0.00 0.00 32.58 32.12 1ggl s HIS 108 CO -0.04 0.20 0.68 1.67 -0.85 0.00 0.00 174.74 176.39 1ggl s TRP 109 N -0.82 -0.56 0.41 1.40 -2.14 -1.11 -0.32 118.94 115.80 1ggl s TRP 109 Ca 0.13 0.66 0.07 0.00 2.66 0.00 0.00 56.10 59.62 1ggl s TRP 109 Cb -0.10 0.49 -0.07 0.00 -3.10 0.00 0.00 33.47 30.69 1ggl s TRP 109 CO 0.03 -0.70 0.08 -0.51 -2.66 0.00 0.00 176.95 173.19 1ggl s LEU 110 N -2.02 2.98 -0.30 -4.66 1.02 -1.26 -1.72 118.68 112.72 1ggl s LEU 110 Ca -0.04 -1.25 -0.20 0.00 0.02 0.00 0.00 54.13 52.67 1ggl s LEU 110 Cb -0.01 -1.13 0.20 0.00 0.02 0.00 0.00 46.19 45.27 1ggl s LEU 110 CO -0.03 -0.50 1.32 -0.70 0.02 0.00 0.00 176.35 176.47 1ggl s GLU 111 N -3.80 0.01 7.17 1.70 2.12 -1.17 -4.81 118.70 119.92 1ggl s GLU 111 Ca 0.37 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1ggl s GLU 111 Cb 0.07 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1ggl s GLU 111 CO 0.20 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 1ggl n GLY 112 N 4.51 2.28 1.03 -1.50 0.00 -1.26 -1.77 105.19 108.48 1ggl n GLY 112 Ca -0.06 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 13.20 3.11 -3.83 1.61 4.71 -1.26 -4.95 120.64 133.24 1ggl n GLU 113 Ca 0.00 -2.90 -0.35 0.00 -0.01 0.00 0.00 57.16 53.90 1ggl n GLU 113 Cb 0.00 -1.90 -0.08 0.00 -1.01 0.00 0.00 31.44 28.45 1ggl n GLU 113 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1ggl s MET 114 N -2.85 3.94 -0.39 3.49 -1.94 -0.73 -1.20 119.30 119.62 1ggl s MET 114 Ca 0.44 -0.22 -0.05 0.00 -1.71 0.00 0.00 55.69 54.15 1ggl s MET 114 Cb 0.35 -3.31 0.09 0.00 2.01 0.00 0.00 34.83 33.97 1ggl s MET 114 CO 0.09 0.42 0.18 -1.17 -0.01 0.00 0.00 175.02 174.54 1ggl s LEU 115 N -0.01 4.93 0.36 -0.03 2.96 0.17 -3.02 118.68 124.05 1ggl s LEU 115 Ca 0.09 -1.68 -0.10 0.00 -0.22 0.00 0.00 54.13 52.22 1ggl s LEU 115 Cb -0.11 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1ggl s LEU 115 CO -0.00 -0.48 0.71 -0.31 -1.32 0.00 0.00 176.35 174.95 1ggl s TYR 116 N 1.27 3.45 -0.08 5.38 1.51 -0.70 -1.21 117.35 126.98 1ggl s TYR 116 Ca 0.03 0.98 -0.17 0.00 -1.01 0.00 0.00 57.07 56.91 1ggl s TYR 116 Cb -0.22 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1ggl s TYR 116 CO -0.01 0.00 0.40 -1.17 -1.11 0.00 0.00 175.55 173.66 1ggl s LEU 117 N -3.59 0.49 -0.03 -1.29 2.96 -0.85 -2.73 118.68 113.63 1ggl s LEU 117 Ca 0.50 0.47 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1ggl s LEU 117 Cb -0.10 1.49 0.02 0.00 0.50 0.00 0.00 46.19 48.09 1ggl s LEU 117 CO 0.28 -0.35 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.24 1ggl s GLU 118 N -0.69 0.50 -0.07 1.98 2.12 -0.31 -2.17 118.70 120.06 1ggl s GLU 118 Ca -0.08 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.23 1ggl s GLU 118 Cb -0.04 -0.57 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 1ggl s GLU 118 CO 0.03 -0.06 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.07 1ggl s LEU 119 N 0.73 2.92 0.02 2.70 1.43 0.53 -1.25 118.68 125.76 1ggl s LEU 119 Ca -0.08 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1ggl s LEU 119 Cb -0.11 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1ggl s LEU 119 CO -0.01 0.32 -0.10 -0.89 0.23 0.00 0.00 176.35 175.91 1ggl s THR 120 N -0.57 0.73 -0.30 5.49 2.01 -0.68 -0.63 115.64 121.69 1ggl s THR 120 Ca 0.08 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 1ggl s THR 120 Cb -0.12 -0.68 0.17 0.00 0.01 0.00 0.00 72.50 71.88 1ggl s THR 120 CO 0.02 -0.02 0.81 0.00 -0.69 0.00 0.00 174.62 174.73 1ggl s ALA 121 N -0.67 -2.55 0.00 7.40 0.00 -0.97 -2.36 121.76 122.61 1ggl s ALA 121 Ca -0.01 1.95 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1ggl s ALA 121 Cb -0.06 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1ggl s ALA 121 CO 0.00 -1.15 0.00 0.54 0.00 0.00 0.00 175.76 175.16 1ggl n ARG 122 N 5.31 0.00 0.00 0.00 1.74 0.55 -1.00 116.66 123.27 1ggl n ARG 122 Ca -0.07 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.10 1ggl n ARG 122 Cb 0.51 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.02 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 10.03 2.40 -4.70 0.55 10.43 -1.26 -4.71 116.55 129.29 1ggl n ASP 123 Ca 0.00 -1.70 -0.41 0.00 2.57 0.00 0.00 54.79 55.25 1ggl n ASP 123 Cb 0.00 0.06 -0.04 0.00 1.84 0.00 0.00 41.12 42.99 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 -1.58 3.30 -0.11 2.24 0.00 -0.17 -5.06 121.76 120.38 1ggl s ALA 124 Ca 0.20 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1ggl s ALA 124 Cb 0.15 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1ggl s ALA 124 CO 0.25 -0.31 -0.22 0.08 0.00 0.00 0.00 175.76 175.57 1ggl s VAL 125 N 1.27 1.95 -0.04 0.00 1.01 -1.26 -2.28 120.40 121.05 1ggl s VAL 125 Ca 0.45 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1ggl s VAL 125 Cb -0.19 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1ggl s VAL 125 CO 0.21 0.53 -0.25 0.00 0.00 0.00 0.00 175.10 175.60 1ggl s GLU 127 N -0.44 2.82 0.08 0.00 2.12 -1.08 -0.35 118.70 121.86 1ggl s GLU 127 Ca 0.05 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.52 1ggl s GLU 127 Cb -0.12 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 32.02 1ggl s GLU 127 CO 0.01 0.26 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.25 1ggl s GLN 128 N 0.13 0.77 -0.01 4.30 -0.21 -0.92 -1.44 119.66 122.28 1ggl s GLN 128 Ca -0.12 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.17 1ggl s GLN 128 Cb -0.16 -0.42 0.01 0.00 1.00 0.00 0.00 33.01 33.44 1ggl s GLN 128 CO 0.07 0.06 -0.01 0.08 -2.12 0.00 0.00 175.29 173.37 1ggl s VAL 129 N -2.40 0.10 0.12 1.09 1.01 0.21 -2.01 120.40 118.52 1ggl s VAL 129 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1ggl s VAL 129 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1ggl s VAL 129 CO -0.01 0.05 -0.11 -0.36 0.00 0.00 0.00 175.10 174.67 1ggl s PHE 130 N 0.19 1.22 -0.20 5.22 0.40 -0.35 -1.26 117.98 123.20 1ggl s PHE 130 Ca -0.02 -0.64 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1ggl s PHE 130 Cb -0.03 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.87 1ggl s PHE 130 CO -0.01 0.07 -0.14 0.50 0.70 0.00 0.00 175.22 176.34 1ggl s ARG 131 N -2.94 3.08 0.37 0.44 3.52 0.14 0.45 118.95 124.01 1ggl s ARG 131 Ca 0.09 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.61 1ggl s ARG 131 Cb -0.03 -2.74 -0.11 0.00 -1.56 0.00 0.00 34.95 30.52 1ggl s ARG 131 CO 0.01 -0.23 1.51 0.21 -0.81 0.00 0.00 175.30 175.99 1ggl s LYS 132 N 1.34 4.10 0.00 5.12 2.20 -0.34 0.17 119.74 132.33 1ggl s LYS 132 Ca 0.05 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1ggl s LYS 132 Cb -0.14 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1ggl s LYS 132 CO -0.09 -0.57 0.00 1.55 -0.36 0.00 0.00 175.35 175.88 1ggl n VAL 133 N 0.68 0.00 -1.83 4.02 3.14 0.66 -4.85 118.33 120.15 1ggl n VAL 133 Ca 0.02 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1ggl n VAL 133 Cb 0.39 0.53 0.00 0.00 -1.06 0.00 0.00 33.84 33.69 1ggl n VAL 133 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94