#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya n PRO 4 N 0.00 1.60 -1.76 -1.09 -0.02 -1.26 -4.82 135.00 127.65 2gya n PRO 4 Ca 0.00 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 2gya n PRO 4 Cb 0.00 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2gya n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2gya s LYS 5 N -0.18 2.73 0.34 -0.52 3.01 -1.26 -4.96 119.74 118.89 2gya s LYS 5 Ca 0.73 1.41 -0.09 0.00 -1.01 0.00 0.00 55.97 57.01 2gya s LYS 5 Cb -0.76 -4.41 -0.06 0.00 -1.01 0.00 0.00 37.83 31.58 2gya s LYS 5 CO 0.49 -2.57 0.67 1.03 0.51 0.00 0.00 175.35 175.48 2gya s ARG 6 N 6.98 3.75 0.00 1.68 0.52 -1.26 -5.04 118.95 125.58 2gya s ARG 6 Ca 0.88 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 2gya s ARG 6 Cb -0.21 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2gya s ARG 6 CO 0.29 0.11 0.00 -2.37 0.02 0.00 0.00 175.30 173.35 2gya n THR 7 N -0.94 0.00 -2.92 0.02 5.66 -1.26 -4.00 114.28 110.85 2gya n THR 7 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2gya n THR 7 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 2gya n THR 7 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2gya n LYS 8 N 0.00 1.47 -3.29 1.09 4.76 -1.26 -4.74 118.16 116.18 2gya n LYS 8 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 2gya n LYS 8 Cb 0.00 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.26 2gya n LYS 8 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2gya n PHE 9 N -0.73 -2.11 -4.30 2.13 3.01 -1.26 -5.01 117.46 109.18 2gya n PHE 9 Ca 0.00 0.79 -0.18 0.00 1.01 0.00 0.00 57.45 59.07 2gya n PHE 9 Cb 0.00 -4.33 -0.07 0.00 -0.01 0.00 0.00 39.48 35.08 2gya n PHE 9 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2gya n ARG 10 N -3.89 0.42 -1.96 -1.08 1.74 -1.26 -5.16 116.66 105.47 2gya n ARG 10 Ca -0.08 -2.95 -0.32 0.00 -0.77 0.00 0.00 57.85 53.73 2gya n ARG 10 Cb 0.58 2.20 0.01 0.00 -1.02 0.00 0.00 32.46 34.23 2gya n ARG 10 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2gya s LYS 11 N -3.23 3.35 -0.08 5.56 2.20 -1.26 -5.01 119.74 121.27 2gya s LYS 11 Ca 0.31 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.68 2gya s LYS 11 Cb 0.01 -2.04 -0.02 0.00 -1.51 0.00 0.00 37.83 34.27 2gya s LYS 11 CO 0.22 -0.77 0.94 0.00 -0.36 0.00 0.00 175.35 175.38 2gya s MET 12 N -4.43 4.45 0.00 4.03 0.23 -1.26 -5.01 119.30 117.31 2gya s MET 12 Ca 0.60 1.29 0.00 0.00 -1.03 0.00 0.00 55.69 56.56 2gya s MET 12 Cb -0.14 -3.51 0.00 0.00 -1.53 0.00 0.00 34.83 29.65 2gya s MET 12 CO 0.42 -0.19 0.00 0.72 -2.03 0.00 0.00 175.02 173.94 2gya n HIS 13 N 4.54 0.00 -2.64 3.16 -0.00 -1.26 -5.04 115.22 113.98 2gya n HIS 13 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.66 2gya n HIS 13 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.54 2gya n HIS 13 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2gya n LYS 14 N 0.00 0.40 -3.60 -0.41 3.00 -1.26 -5.13 118.16 111.16 2gya n LYS 14 Ca 0.00 -1.61 -0.20 0.00 -0.00 0.00 0.00 58.31 56.49 2gya n LYS 14 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 35.03 34.71 2gya n LYS 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2gya s GLY 15 N -3.77 1.92 -0.09 3.14 0.00 -1.26 -5.05 107.32 102.21 2gya s GLY 15 Ca 0.36 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 2gya s GLY 15 CO 0.24 -1.60 1.44 0.50 0.00 0.00 0.00 173.10 173.68 2gya s ARG 16 N -4.10 4.23 0.35 2.90 0.52 -1.26 -4.84 118.95 116.75 2gya s ARG 16 Ca 0.46 1.93 0.27 0.00 -0.52 0.00 0.00 55.73 57.86 2gya s ARG 16 Cb -0.06 -3.81 0.99 0.00 0.52 0.00 0.00 34.95 32.60 2gya s ARG 16 CO 0.28 -0.73 1.79 -0.91 0.02 0.00 0.00 175.30 175.75 2gya h ASN 17 N 8.62 0.00 -1.77 0.23 2.35 -1.98 -3.43 115.58 119.61 2gya h ASN 17 Ca -0.34 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.94 2gya h ASN 17 Cb 1.15 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.59 2gya h ASN 17 CO 0.95 0.00 0.05 -0.13 -1.65 0.00 0.00 177.43 176.65 2gya s ARG 18 N -3.36 1.82 0.00 0.81 1.81 -1.26 -4.83 118.95 113.93 2gya s ARG 18 Ca 0.05 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.79 2gya s ARG 18 Cb 0.09 -2.41 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 2gya s ARG 18 CO 0.50 -1.31 0.00 0.41 -0.68 0.00 0.00 175.30 174.22 2gya n GLY 19 N -2.69 -0.70 3.53 -3.53 0.00 -1.26 -5.10 105.19 95.44 2gya n GLY 19 Ca 0.15 0.37 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 2gya n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gya n LEU 20 N 0.00 2.09 0.18 0.99 4.32 -1.26 -4.79 117.00 118.54 2gya n LEU 20 Ca 0.00 -0.17 0.03 0.00 -0.02 0.00 0.00 56.01 55.85 2gya n LEU 20 Cb 0.00 -1.43 0.36 0.00 -1.62 0.00 0.00 43.42 40.73 2gya n LEU 20 CO 0.00 -1.20 0.70 0.00 -1.22 0.00 0.00 177.39 175.68 2gya h ALA 21 N 16.72 1.25 -3.43 -1.18 0.00 -1.99 -3.49 119.26 127.14 2gya h ALA 21 Ca -0.24 -0.36 0.36 0.00 0.00 0.00 0.00 54.91 54.67 2gya h ALA 21 Cb 1.28 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 2gya h ALA 21 CO 1.15 0.49 -1.06 1.04 0.00 0.00 0.00 179.25 180.87 2gya n GLN 22 N -3.93 -3.20 -0.35 0.00 1.13 -1.26 -4.42 117.38 105.35 2gya n GLN 22 Ca -0.02 2.49 0.04 0.00 -1.94 0.00 0.00 57.00 57.58 2gya n GLN 22 Cb 0.44 -3.79 -0.02 0.00 0.11 0.00 0.00 30.24 26.97 2gya n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gya n GLY 23 N -4.31 -2.76 3.71 1.08 0.00 -1.22 -4.59 105.19 97.09 2gya n GLY 23 Ca -0.06 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2gya n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gya s THR 24 N -3.25 5.12 -0.89 2.61 -4.23 -1.26 -4.84 115.64 108.90 2gya s THR 24 Ca 0.00 1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 61.64 2gya s THR 24 Cb 0.00 -3.91 0.27 0.00 1.34 0.00 0.00 72.50 70.20 2gya s THR 24 CO 0.00 0.27 2.13 -0.67 -0.54 0.00 0.00 174.62 175.81 2gya n ASP 25 N 3.90 7.37 -0.03 3.99 -0.08 -1.26 -4.25 116.55 126.18 2gya n ASP 25 Ca -0.04 -3.62 -0.02 0.00 -1.51 0.00 0.00 54.79 49.60 2gya n ASP 25 Cb 0.51 -1.16 -0.07 0.00 2.34 0.00 0.00 41.12 42.75 2gya n ASP 25 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2gya n VAL 26 N 0.07 0.43 -4.48 5.18 0.31 -1.26 -4.97 118.33 113.61 2gya n VAL 26 Ca 0.52 -0.32 -0.26 0.00 -0.01 0.00 0.00 64.34 64.27 2gya n VAL 26 Cb 0.29 -0.48 -0.17 0.00 -0.91 0.00 0.00 33.84 32.58 2gya n VAL 26 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2gya s SER 27 N -3.79 1.97 -0.20 4.52 0.01 -1.26 -5.12 113.70 109.83 2gya s SER 27 Ca -0.04 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 56.77 2gya s SER 27 Cb 0.03 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 2gya s SER 27 CO 0.36 0.01 0.25 0.12 0.41 0.00 0.00 173.24 174.39 2gya s PHE 28 N 0.86 3.40 0.00 2.43 5.36 -1.26 -5.03 117.98 123.74 2gya s PHE 28 Ca -0.11 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 2gya s PHE 28 Cb -0.15 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2gya s PHE 28 CO 0.01 0.15 0.00 0.41 -1.46 0.00 0.00 175.22 174.34 2gya n GLY 29 N 3.74 4.32 2.43 13.12 0.00 -1.26 -5.11 105.19 122.44 2gya n GLY 29 Ca -0.13 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 2gya n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gya n SER 30 N -1.04 -0.75 0.00 1.61 7.64 -1.26 -5.09 113.62 114.74 2gya n SER 30 Ca 0.00 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.65 2gya n SER 30 Cb 0.00 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2gya n SER 30 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2gya n PHE 31 N 0.63 0.00 0.00 1.43 3.72 -1.26 -4.83 117.46 117.15 2gya n PHE 31 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2gya n PHE 31 Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2gya n PHE 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gya n GLY 32 N 5.00 1.26 2.86 1.37 0.00 -1.26 -4.88 105.19 109.54 2gya n GLY 32 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2gya n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gya s LEU 33 N 0.00 -0.45 0.52 0.99 0.20 -0.71 -3.89 118.68 115.34 2gya s LEU 33 Ca 0.00 -1.47 -0.16 0.00 0.69 0.00 0.00 54.13 53.20 2gya s LEU 33 Cb 0.00 0.96 -0.07 0.00 -0.43 0.00 0.00 46.19 46.65 2gya s LEU 33 CO 0.00 -0.22 0.98 -0.75 -0.29 0.00 0.00 176.35 176.07 2gya s LYS 34 N 1.43 3.90 -0.13 1.98 2.20 -1.16 -3.10 119.74 124.85 2gya s LYS 34 Ca 0.18 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.71 2gya s LYS 34 Cb -0.11 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2gya s LYS 34 CO -0.04 -0.30 -0.15 0.00 -0.36 0.00 0.00 175.35 174.50 2gya s ALA 35 N -2.68 1.79 -0.92 3.13 0.00 -1.19 -1.15 121.76 120.74 2gya s ALA 35 Ca 0.58 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 51.48 2gya s ALA 35 Cb -0.10 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.13 2gya s ALA 35 CO 0.34 -0.24 1.30 0.08 0.00 0.00 0.00 175.76 177.24 2gya s VAL 36 N 1.26 4.11 0.00 0.00 1.01 -1.22 -4.00 120.40 121.56 2gya s VAL 36 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2gya s VAL 36 Cb -0.14 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.30 2gya s VAL 36 CO -0.07 -1.78 0.00 0.61 0.00 0.00 0.00 175.10 173.86 2gya n GLY 37 N 6.18 4.80 3.76 4.51 0.00 -1.05 -4.78 105.19 118.61 2gya n GLY 37 Ca 0.23 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2gya n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gya s ARG 38 N -4.87 4.66 -0.01 1.61 3.52 -1.26 -4.16 118.95 118.44 2gya s ARG 38 Ca 0.00 1.28 -0.28 0.00 -0.13 0.00 0.00 55.73 56.60 2gya s ARG 38 Cb 0.00 -3.30 0.09 0.00 -1.56 0.00 0.00 34.95 30.17 2gya s ARG 38 CO 0.00 0.45 0.75 0.20 -0.81 0.00 0.00 175.30 175.89 2gya s GLY 39 N -0.77 -0.51 -0.28 8.12 0.00 -1.04 -4.98 107.32 107.85 2gya s GLY 39 Ca 0.40 1.18 -0.11 0.00 0.00 0.00 0.00 44.72 46.18 2gya s GLY 39 CO 0.28 0.65 0.20 0.50 0.00 0.00 0.00 173.10 174.73 2gya s ARG 40 N -2.19 3.94 -0.15 2.90 3.00 -1.26 -2.17 118.95 123.02 2gya s ARG 40 Ca -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 55.73 55.39 2gya s ARG 40 Cb -0.01 -3.66 -0.01 0.00 0.00 0.00 0.00 34.95 31.28 2gya s ARG 40 CO -0.01 -0.19 -0.14 -1.17 0.00 0.00 0.00 175.30 173.79 2gya s LEU 41 N 1.78 2.55 0.48 2.53 2.96 -0.78 -4.91 118.68 123.28 2gya s LEU 41 Ca 0.07 -0.43 -0.16 0.00 -0.22 0.00 0.00 54.13 53.39 2gya s LEU 41 Cb -0.16 -1.58 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 2gya s LEU 41 CO 0.11 0.10 0.93 0.28 -1.32 0.00 0.00 176.35 176.45 2gya s THR 42 N 0.73 4.57 0.49 3.68 -1.32 -1.26 0.22 115.64 122.75 2gya s THR 42 Ca -0.06 1.13 0.22 0.00 -1.21 0.00 0.00 61.69 61.77 2gya s THR 42 Cb -0.15 -3.70 0.39 0.00 -1.51 0.00 0.00 72.50 67.52 2gya s THR 42 CO 0.01 -0.60 1.95 0.00 -2.21 0.00 0.00 174.62 173.78 2gya h ALA 43 N 1.14 2.38 0.00 11.08 0.00 -1.66 0.79 119.26 132.99 2gya h ALA 43 Ca -0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2gya h ALA 43 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2gya h ALA 43 CO 0.62 -0.56 -0.19 -0.09 0.00 0.00 0.00 179.25 179.03 2gya h ARG 44 N 0.17 0.00 0.17 0.00 2.43 -1.92 -2.10 114.38 113.13 2gya h ARG 44 Ca 0.32 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.13 2gya h ARG 44 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2gya h ARG 44 CO -0.05 0.19 -1.81 1.96 -1.51 0.00 0.00 179.97 178.74 2gya h GLN 45 N 0.00 0.36 -0.83 0.20 4.20 -1.24 -3.30 115.11 114.50 2gya h GLN 45 Ca -0.00 -0.62 0.07 0.00 0.06 0.00 0.00 58.65 58.16 2gya h GLN 45 Cb 0.41 0.23 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 2gya h GLN 45 CO 0.02 1.29 0.54 0.82 -0.67 0.00 0.00 178.83 180.83 2gya h ILE 46 N 0.10 1.03 -0.30 2.54 2.04 -1.14 -1.89 117.51 119.89 2gya h ILE 46 Ca -0.36 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2gya h ILE 46 Cb 2.08 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2gya h ILE 46 CO 0.16 0.16 0.08 -0.08 0.00 0.00 0.00 178.15 178.47 2gya h GLU 47 N 0.90 0.47 -0.58 2.37 4.57 -1.51 0.12 114.58 120.92 2gya h GLU 47 Ca 0.36 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2gya h GLU 47 Cb 0.25 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2gya h GLU 47 CO -0.13 0.53 0.37 0.00 -1.18 0.00 0.00 179.01 178.60 2gya h ALA 48 N 0.92 0.73 -0.19 2.92 0.00 -1.46 0.39 119.26 122.57 2gya h ALA 48 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2gya h ALA 48 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2gya h ALA 48 CO -0.00 0.18 -0.32 0.00 0.00 0.00 0.00 179.25 179.11 2gya h ALA 49 N 1.20 0.30 -0.36 0.00 0.00 -1.28 -1.79 119.26 117.33 2gya h ALA 49 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2gya h ALA 49 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gya h ALA 49 CO -0.04 0.33 0.04 -0.09 0.00 0.00 0.00 179.25 179.48 2gya h ARG 50 N 0.22 0.62 0.00 0.00 1.12 -0.60 -2.59 114.38 113.14 2gya h ARG 50 Ca 0.01 -0.18 -0.02 0.00 -1.11 0.00 0.00 59.98 58.69 2gya h ARG 50 Cb 0.90 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.79 2gya h ARG 50 CO 0.07 0.70 -0.10 -0.09 -3.11 0.00 0.00 179.97 177.45 2gya h ARG 51 N 0.45 0.00 -0.07 0.20 2.43 -0.26 -2.09 114.38 115.03 2gya h ARG 51 Ca 0.11 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2gya h ARG 51 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2gya h ARG 51 CO 0.01 0.10 -0.14 0.00 -1.51 0.00 0.00 179.97 178.42 2gya h ALA 52 N 1.90 0.12 -0.11 2.80 0.00 -0.94 -2.37 119.26 120.67 2gya h ALA 52 Ca -0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 2gya h ALA 52 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2gya h ALA 52 CO 0.01 0.02 -0.68 0.00 0.00 0.00 0.00 179.25 178.60 2gya h MET 53 N -0.25 0.65 -0.34 0.00 -0.00 -1.42 -3.11 114.93 110.47 2gya h MET 53 Ca 0.00 -0.56 -0.02 0.00 -0.00 0.00 0.00 59.70 59.12 2gya h MET 53 Cb 0.73 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 32.43 2gya h MET 53 CO 0.03 1.17 0.12 1.15 -0.00 0.00 0.00 176.91 179.38 2gya h THR 54 N 0.32 1.14 0.00 -0.10 2.02 -1.48 0.35 112.91 115.16 2gya h THR 54 Ca -0.05 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2gya h THR 54 Cb 1.33 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2gya h THR 54 CO 0.14 0.17 0.00 -1.14 0.37 0.00 0.00 175.52 175.06 2gya n ARG 55 N -4.38 0.77 -0.04 6.66 0.63 -0.89 -3.44 116.66 115.97 2gya n ARG 55 Ca 0.02 0.01 -0.05 0.00 -0.92 0.00 0.00 57.85 56.91 2gya n ARG 55 Cb 0.15 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.52 2gya n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gya n ALA 56 N -1.08 1.83 -1.07 5.13 0.00 0.13 -4.69 120.51 120.76 2gya n ALA 56 Ca 0.20 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 2gya n ALA 56 Cb 0.14 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 2gya n ALA 56 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gya n VAL 57 N -2.52 2.94 0.50 0.00 0.24 0.99 -4.43 118.33 116.05 2gya n VAL 57 Ca -0.13 -1.84 0.11 0.00 -2.04 0.00 0.00 64.34 60.44 2gya n VAL 57 Cb 0.68 -1.74 0.45 0.00 -1.47 0.00 0.00 33.84 31.76 2gya n VAL 57 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2gya n LYS 58 N 1.64 0.16 -0.18 7.34 4.76 -1.26 -2.91 118.16 127.71 2gya n LYS 58 Ca 0.38 0.32 -0.04 0.00 -2.87 0.00 0.00 58.31 56.10 2gya n LYS 58 Cb 0.72 -1.76 0.15 0.00 -1.84 0.00 0.00 35.03 32.29 2gya n LYS 58 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gya h ARG 59 N 0.00 0.95 0.00 1.97 2.47 -1.95 -3.47 114.38 114.35 2gya h ARG 59 Ca 0.00 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2gya h ARG 59 Cb 0.42 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 2gya h ARG 59 CO 0.00 0.83 0.00 0.00 0.56 0.00 0.00 179.97 181.36 2gya n GLN 60 N -4.27 0.00 0.00 0.04 10.64 -1.14 -5.19 117.38 117.46 2gya n GLN 60 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 2gya n GLN 60 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 2gya n GLN 60 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2gya n GLY 61 N 0.00 3.46 2.45 2.61 0.00 -1.26 -4.95 105.19 107.50 2gya n GLY 61 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2gya n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gya n LYS 62 N 0.00 -1.45 -3.35 1.61 4.01 -1.26 -4.69 118.16 113.03 2gya n LYS 62 Ca 0.00 1.04 -0.39 0.00 -0.51 0.00 0.00 58.31 58.45 2gya n LYS 62 Cb 0.00 -5.50 -0.08 0.00 -0.51 0.00 0.00 35.03 28.94 2gya n LYS 62 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2gya s ILE 63 N -2.85 5.16 0.08 -0.18 -1.16 -1.26 -0.54 121.20 120.45 2gya s ILE 63 Ca 0.00 0.72 0.03 0.00 -0.51 0.00 0.00 60.65 60.89 2gya s ILE 63 Cb 0.00 -3.75 -0.03 0.00 0.61 0.00 0.00 42.46 39.29 2gya s ILE 63 CO 0.00 0.18 -0.10 0.26 -2.81 0.00 0.00 174.94 172.48 2gya s TRP 64 N 1.77 0.96 -0.04 3.50 0.52 -0.96 -3.37 118.94 121.32 2gya s TRP 64 Ca 0.19 -0.62 0.07 0.00 0.02 0.00 0.00 56.10 55.75 2gya s TRP 64 Cb -0.15 -0.54 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 2gya s TRP 64 CO 0.09 -0.03 -0.24 -1.50 0.02 0.00 0.00 176.95 175.29 2gya s ILE 65 N -2.15 2.20 -0.22 2.03 2.07 -1.26 -1.43 121.20 122.44 2gya s ILE 65 Ca 0.01 -1.04 0.11 0.00 -1.41 0.00 0.00 60.65 58.32 2gya s ILE 65 Cb -0.05 -1.78 -0.22 0.00 0.13 0.00 0.00 42.46 40.54 2gya s ILE 65 CO -0.00 0.58 -0.02 0.54 -1.91 0.00 0.00 174.94 174.13 2gya n ARG 66 N 2.60 0.67 -3.29 3.50 1.74 -0.80 -4.93 116.66 116.14 2gya n ARG 66 Ca -0.17 0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 2gya n ARG 66 Cb 0.51 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 2gya n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gya s VAL 67 N -2.51 5.15 0.15 1.55 0.11 -1.26 -5.07 120.40 118.51 2gya s VAL 67 Ca -0.20 0.91 0.08 0.00 -2.93 0.00 0.00 61.98 59.84 2gya s VAL 67 Cb 0.07 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2gya s VAL 67 CO 0.74 0.23 -0.08 -0.36 -3.33 0.00 0.00 175.10 172.30 2gya s PHE 68 N 1.29 2.72 -0.25 1.54 0.40 -1.26 -5.08 117.98 117.34 2gya s PHE 68 Ca 0.24 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 2gya s PHE 68 Cb -0.15 -1.36 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 2gya s PHE 68 CO 0.09 0.48 1.25 -1.25 0.70 0.00 0.00 175.22 176.49 2gya s PRO 69 N -2.64 4.06 0.00 0.24 0.04 -1.26 -4.64 135.00 130.80 2gya s PRO 69 Ca 0.24 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2gya s PRO 69 Cb -0.10 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.63 2gya s PRO 69 CO 0.15 -0.93 0.00 -0.25 0.04 0.00 0.00 177.00 176.02 2gya n ASP 70 N 7.12 0.88 -4.56 6.66 9.92 -1.21 -4.73 116.55 130.63 2gya n ASP 70 Ca 0.14 -0.19 -0.42 0.00 -0.53 0.00 0.00 54.79 53.80 2gya n ASP 70 Cb 0.46 0.55 -0.07 0.00 -0.64 0.00 0.00 41.12 41.42 2gya n ASP 70 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2gya s LYS 71 N -0.73 3.63 0.30 -1.24 2.20 -0.58 -4.68 119.74 118.66 2gya s LYS 71 Ca 0.00 -0.07 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 2gya s LYS 71 Cb 0.00 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.41 2gya s LYS 71 CO 0.00 -0.70 1.07 -2.14 -0.36 0.00 0.00 175.35 173.22 2gya s PRO 72 N 2.54 4.55 -0.05 4.03 0.02 -1.26 -0.25 135.00 144.59 2gya s PRO 72 Ca 0.21 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 2gya s PRO 72 Cb -0.15 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.36 2gya s PRO 72 CO 0.14 0.16 0.03 0.96 -0.33 0.00 0.00 177.00 177.96 2gya s ILE 73 N -1.28 0.13 0.42 2.83 -4.36 -1.25 -4.72 121.20 112.96 2gya s ILE 73 Ca 0.47 0.26 0.08 0.00 -0.26 0.00 0.00 60.65 61.20 2gya s ILE 73 Cb -0.29 -0.32 -0.02 0.00 1.25 0.00 0.00 42.46 43.08 2gya s ILE 73 CO 0.37 0.21 0.38 0.42 0.24 0.00 0.00 174.94 176.56 2gya s THR 74 N 1.95 2.65 0.04 8.37 -4.23 -1.26 -4.33 115.64 118.83 2gya s THR 74 Ca 0.03 -1.33 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2gya s THR 74 Cb -0.12 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 2gya s THR 74 CO -0.04 0.00 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.32 2gya s GLU 75 N -4.14 0.53 -0.60 3.99 2.56 -0.56 -4.84 118.70 115.65 2gya s GLU 75 Ca 0.48 -1.04 0.06 0.00 0.00 0.00 0.00 54.97 54.48 2gya s GLU 75 Cb -0.03 0.18 0.24 0.00 2.00 0.00 0.00 34.13 36.52 2gya s GLU 75 CO 0.28 -0.10 0.66 0.36 -0.56 0.00 0.00 175.26 175.90 2gya n LYS 76 N 0.54 2.03 -2.23 4.30 -0.00 -1.26 0.87 118.16 122.40 2gya n LYS 76 Ca -0.17 -4.34 -0.36 0.00 -0.00 0.00 0.00 58.31 53.44 2gya n LYS 76 Cb 0.59 -2.06 -0.04 0.00 -0.00 0.00 0.00 35.03 33.53 2gya n LYS 76 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2gya s PRO 77 N -2.01 2.87 0.00 -1.58 0.04 -1.26 -4.71 135.00 128.35 2gya s PRO 77 Ca 0.37 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2gya s PRO 77 Cb 0.12 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2gya s PRO 77 CO -0.06 -2.69 0.00 -0.11 0.04 0.00 0.00 177.00 174.18 2gya n LEU 78 N 11.76 0.00 0.00 -3.56 7.94 -1.26 -5.11 117.00 126.78 2gya n LEU 78 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 2gya n LEU 78 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2gya n LEU 78 CO 0.67 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.95 2gya n ALA 79 N -3.00 0.00 0.01 1.96 0.00 -1.26 -5.10 120.51 113.12 2gya n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2gya n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2gya n ALA 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gya n VAL 80 N 0.00 0.00 -0.30 0.00 3.14 -1.26 -5.00 118.33 114.91 2gya n VAL 80 Ca 0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2gya n VAL 80 Cb 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 32.94 2gya n VAL 80 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2gya n ARG 81 N -2.00 -0.07 -4.22 1.45 0.63 -1.26 -4.12 116.66 107.07 2gya n ARG 81 Ca 0.00 1.29 -0.34 0.00 -0.92 0.00 0.00 57.85 57.88 2gya n ARG 81 Cb 0.00 -1.97 -0.10 0.00 0.45 0.00 0.00 32.46 30.84 2gya n ARG 81 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 2gya s MET 82 N -5.97 3.66 0.00 -0.14 1.75 -1.26 -4.93 119.30 112.41 2gya s MET 82 Ca -0.12 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 53.91 2gya s MET 82 Cb 0.23 -3.02 0.00 0.00 2.84 0.00 0.00 34.83 34.88 2gya s MET 82 CO 0.65 0.36 0.00 0.41 -0.65 0.00 0.00 175.02 175.80 2gya n GLY 83 N 3.20 2.11 0.08 2.11 0.00 -1.26 -4.70 105.19 106.73 2gya n GLY 83 Ca -0.17 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2gya n GLY 83 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2gya h LYS 84 N 0.00 -0.04 0.00 1.61 3.11 -1.91 -3.46 116.57 115.88 2gya h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2gya h LYS 84 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2gya h LYS 84 CO 0.00 0.66 0.00 0.41 -2.81 0.00 0.00 179.45 177.71 2gya n GLY 85 N 1.09 2.19 3.97 5.01 0.00 -1.26 -4.57 105.19 111.63 2gya n GLY 85 Ca -0.09 0.26 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2gya n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gya s LYS 86 N 0.00 2.78 -0.72 1.61 -0.14 0.25 -4.65 119.74 118.87 2gya s LYS 86 Ca 0.00 -1.29 -0.18 0.00 -1.36 0.00 0.00 55.97 53.14 2gya s LYS 86 Cb 0.00 -2.66 0.13 0.00 -1.68 0.00 0.00 37.83 33.62 2gya s LYS 86 CO 0.00 -0.21 0.84 0.20 -0.76 0.00 0.00 175.35 175.42 2gya s GLY 87 N -4.27 1.96 0.00 -3.33 0.00 -1.26 -1.49 107.32 98.93 2gya s GLY 87 Ca 0.52 -2.56 0.00 0.00 0.00 0.00 0.00 44.72 42.68 2gya s GLY 87 CO 0.31 1.65 0.00 0.70 0.00 0.00 0.00 173.10 175.76 2gya n ASN 88 N 6.00 0.00 -0.34 1.64 4.13 -1.26 -4.78 115.26 120.65 2gya n ASN 88 Ca 0.04 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.42 2gya n ASN 88 Cb 0.45 0.00 0.31 0.00 -1.54 0.00 0.00 39.78 39.00 2gya n ASN 88 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2gya h VAL 89 N 0.00 0.66 -1.09 2.41 -1.51 -1.95 -3.32 116.25 111.45 2gya h VAL 89 Ca 0.00 -0.23 -0.37 0.00 -1.23 0.00 0.00 66.70 64.87 2gya h VAL 89 Cb 0.00 -0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.04 2gya h VAL 89 CO 0.00 0.12 0.94 -1.61 -1.23 0.00 0.00 177.57 175.79 2gya s GLU 90 N -5.87 2.63 0.00 5.19 2.02 -1.26 -4.90 118.70 116.52 2gya s GLU 90 Ca -0.11 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.78 2gya s GLU 90 Cb 0.25 -4.89 0.00 0.00 0.10 0.00 0.00 34.13 29.59 2gya s GLU 90 CO 0.79 -3.13 0.00 0.98 0.02 0.00 0.00 175.26 173.92 2gya n TYR 91 N 13.33 0.00 -1.72 1.61 9.36 -1.25 -4.37 117.16 134.12 2gya n TYR 91 Ca 0.34 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.14 2gya n TYR 91 Cb 0.48 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.19 2gya n TYR 91 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2gya n TRP 92 N 0.00 2.52 -4.55 2.98 5.03 -1.26 -3.82 117.44 118.34 2gya n TRP 92 Ca 0.00 0.49 -0.22 0.00 3.03 0.00 0.00 57.50 60.80 2gya n TRP 92 Cb 0.00 -2.47 -0.15 0.00 -1.03 0.00 0.00 31.31 27.66 2gya n TRP 92 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2gya s VAL 93 N -0.91 1.00 0.09 -0.99 0.11 0.66 -1.66 120.40 118.70 2gya s VAL 93 Ca 0.57 -0.51 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2gya s VAL 93 Cb -0.54 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 2gya s VAL 93 CO 0.60 0.29 0.30 0.00 -3.33 0.00 0.00 175.10 172.97 2gya s ALA 94 N -0.06 3.87 -0.28 1.54 0.00 0.13 -1.53 121.76 125.44 2gya s ALA 94 Ca 0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2gya s ALA 94 Cb -0.07 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 2gya s ALA 94 CO 0.00 0.72 0.12 -0.51 0.00 0.00 0.00 175.76 176.09 2gya s LEU 95 N -2.47 3.77 -0.15 0.00 1.02 -1.26 -1.86 118.68 117.72 2gya s LEU 95 Ca 0.37 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.18 2gya s LEU 95 Cb -0.13 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.07 2gya s LEU 95 CO 0.24 -0.09 0.01 -0.63 0.02 0.00 0.00 176.35 175.90 2gya s ILE 96 N 1.64 4.30 0.43 -0.59 1.09 -0.92 -5.00 121.20 122.14 2gya s ILE 96 Ca 0.06 -0.22 -0.07 0.00 -1.10 0.00 0.00 60.65 59.32 2gya s ILE 96 Cb -0.16 -2.89 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 2gya s ILE 96 CO 0.06 0.51 0.76 -1.10 -0.10 0.00 0.00 174.94 175.06 2gya s GLN 97 N 0.10 3.64 0.61 2.79 -0.21 -1.26 -2.49 119.66 122.85 2gya s GLN 97 Ca 0.02 0.28 0.26 0.00 0.02 0.00 0.00 55.36 55.94 2gya s GLN 97 Cb -0.13 -2.41 1.27 0.00 1.00 0.00 0.00 33.01 32.74 2gya s GLN 97 CO 0.02 -0.10 1.70 -1.35 -2.12 0.00 0.00 175.29 173.44 2gya h PRO 98 N 0.77 0.00 -1.97 2.91 0.11 -1.81 -2.54 132.00 129.47 2gya h PRO 98 Ca -0.47 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.16 2gya h PRO 98 Cb 1.20 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 2gya h PRO 98 CO 0.63 0.00 -1.16 0.41 -0.21 0.00 0.00 178.00 177.67 2gya n GLY 99 N -1.50 3.65 3.39 -0.55 0.00 -1.26 -2.52 105.19 106.41 2gya n GLY 99 Ca 0.09 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2gya n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gya s LYS 100 N -2.53 2.39 -0.33 1.61 2.47 -0.96 -4.98 119.74 117.41 2gya s LYS 100 Ca 0.40 -0.80 -0.19 0.00 -1.56 0.00 0.00 55.97 53.82 2gya s LYS 100 Cb 0.35 -2.24 -0.01 0.00 -1.46 0.00 0.00 37.83 34.47 2gya s LYS 100 CO -0.08 0.57 0.55 0.54 0.16 0.00 0.00 175.35 177.09 2gya s VAL 101 N -0.60 4.99 -0.08 4.02 0.11 -1.26 -3.15 120.40 124.42 2gya s VAL 101 Ca 0.09 0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2gya s VAL 101 Cb -0.11 -3.96 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 2gya s VAL 101 CO 0.00 -0.16 -0.06 -0.07 -3.33 0.00 0.00 175.10 171.48 2gya h LEU 102 N 9.10 0.00 -8.50 2.54 4.07 -1.93 -3.42 115.31 117.16 2gya h LEU 102 Ca -0.28 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.03 2gya h LEU 102 Cb 1.12 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.60 2gya h LEU 102 CO 0.78 0.43 -0.70 -0.31 -1.08 0.00 0.00 178.44 177.56 2gya s TYR 103 N -1.62 2.99 -0.12 1.13 2.02 -1.26 -1.91 117.35 118.58 2gya s TYR 103 Ca -0.05 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 2gya s TYR 103 Cb 0.01 -2.11 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2gya s TYR 103 CO 0.08 -0.45 -0.10 -1.83 -1.57 0.00 0.00 175.55 171.69 2gya s GLU 104 N 1.37 1.72 -0.22 -0.62 4.04 -0.52 -1.74 118.70 122.72 2gya s GLU 104 Ca 0.04 -0.34 -0.07 0.00 0.04 0.00 0.00 54.97 54.65 2gya s GLU 104 Cb -0.14 -1.68 -0.03 0.00 0.02 0.00 0.00 34.13 32.29 2gya s GLU 104 CO -0.01 -0.23 0.05 1.41 -1.84 0.00 0.00 175.26 174.64 2gya s MET 105 N 1.55 3.71 -0.83 -4.83 1.75 -1.26 -2.28 119.30 117.11 2gya s MET 105 Ca 0.03 -0.46 -0.26 0.00 -1.25 0.00 0.00 55.69 53.75 2gya s MET 105 Cb -0.13 -3.24 -0.11 0.00 2.84 0.00 0.00 34.83 34.19 2gya s MET 105 CO -0.07 -0.05 2.26 -0.51 -0.65 0.00 0.00 175.02 175.99 2gya s ASP 106 N 1.22 4.28 -0.15 1.11 1.01 0.30 -4.77 116.67 119.67 2gya s ASP 106 Ca 0.04 -0.21 -0.13 0.00 0.71 0.00 0.00 52.55 52.97 2gya s ASP 106 Cb -0.14 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.28 2gya s ASP 106 CO 0.03 -3.54 0.40 -0.83 0.21 0.00 0.00 175.17 171.44 2gya s GLY 107 N 9.92 -0.30 0.36 0.21 0.00 -1.26 -4.83 107.32 111.42 2gya s GLY 107 Ca 0.85 1.23 -0.06 0.00 0.00 0.00 0.00 44.72 46.74 2gya s GLY 107 CO 0.05 1.16 0.65 0.54 0.00 0.00 0.00 173.10 175.50 2gya s VAL 108 N 0.54 4.95 -0.12 1.40 0.11 -1.26 -4.84 120.40 121.18 2gya s VAL 108 Ca -0.03 0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2gya s VAL 108 Cb -0.04 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2gya s VAL 108 CO -0.03 -0.48 0.67 -2.65 -3.33 0.00 0.00 175.10 169.28 2gya n PRO 109 N -1.33 0.00 -0.39 1.54 -0.02 -1.26 -4.07 135.00 129.47 2gya n PRO 109 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2gya n PRO 109 Cb 0.54 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 2gya n PRO 109 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gya n GLU 110 N 2.53 0.00 -1.03 -0.52 1.02 -1.26 -5.11 120.64 116.27 2gya n GLU 110 Ca 0.08 -0.09 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 2gya n GLU 110 Cb 0.23 -0.05 -0.10 0.00 -0.02 0.00 0.00 31.44 31.49 2gya n GLU 110 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2gya n GLU 111 N 0.00 0.00 0.00 3.49 4.71 -1.26 -4.71 120.64 122.87 2gya n GLU 111 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2gya n GLU 111 Cb 0.52 -1.07 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 2gya n GLU 111 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2gya n LEU 112 N 7.05 1.12 0.01 -4.62 -0.00 -1.26 -4.52 117.00 114.78 2gya n LEU 112 Ca 0.45 -1.12 0.11 0.00 -0.00 0.00 0.00 56.01 55.45 2gya n LEU 112 Cb 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.33 2gya n LEU 112 CO 0.66 0.28 -0.35 0.00 -0.00 0.00 0.00 177.39 177.98 2gya n ALA 113 N -0.06 3.36 0.10 1.47 0.00 -1.26 -4.11 120.51 120.00 2gya n ALA 113 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.02 2gya n ALA 113 Cb 0.03 -0.84 0.53 0.00 0.00 0.00 0.00 19.45 19.17 2gya n ALA 113 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gya h ARG 114 N 0.00 0.28 -0.01 0.00 2.43 -1.97 1.17 114.38 116.29 2gya h ARG 114 Ca 0.00 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2gya h ARG 114 Cb 0.82 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 2gya h ARG 114 CO 0.00 0.19 -0.67 0.93 -1.51 0.00 0.00 179.97 178.90 2gya h GLU 115 N 0.29 0.03 0.00 0.20 4.39 -1.90 -1.96 114.58 115.64 2gya h GLU 115 Ca 0.10 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2gya h GLU 115 Cb 0.05 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2gya h GLU 115 CO -0.02 0.69 -0.40 0.00 -1.16 0.00 0.00 179.01 178.12 2gya h ALA 116 N 1.30 0.04 0.00 3.43 0.00 -0.26 -3.05 119.26 120.72 2gya h ALA 116 Ca -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2gya h ALA 116 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2gya h ALA 116 CO 0.09 0.20 -0.13 0.74 0.00 0.00 0.00 179.25 180.15 2gya h PHE 117 N -0.35 0.00 -0.33 0.00 0.04 0.11 -2.31 116.94 114.10 2gya h PHE 117 Ca -0.05 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 2gya h PHE 117 Cb 1.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 2gya h PHE 117 CO 0.17 0.13 -0.32 -0.22 -0.60 0.00 0.00 178.31 177.46 2gya h LYS 118 N 0.00 0.81 -0.42 1.51 3.64 -1.35 0.12 116.57 120.88 2gya h LYS 118 Ca -0.00 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 2gya h LYS 118 Cb 0.34 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2gya h LYS 118 CO 0.02 1.06 -0.05 -0.07 -2.27 0.00 0.00 179.45 178.13 2gya h LEU 119 N 0.59 0.67 -0.14 5.20 3.38 -1.32 -2.79 115.31 120.90 2gya h LEU 119 Ca 0.05 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 2gya h LEU 119 Cb 0.90 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2gya h LEU 119 CO 0.08 0.77 -0.98 0.00 0.09 0.00 0.00 178.44 178.41 2gya h ALA 120 N 1.30 0.33 0.00 1.53 0.00 -1.36 -3.15 119.26 117.92 2gya h ALA 120 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2gya h ALA 120 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gya h ALA 120 CO 0.02 0.83 0.00 0.00 0.00 0.00 0.00 179.25 180.11 2gya h ALA 121 N 0.72 1.00 -0.02 0.00 0.00 -0.49 0.67 119.26 121.13 2gya h ALA 121 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2gya h ALA 121 Cb 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2gya h ALA 121 CO 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.34 2gya n ALA 122 N -2.03 2.69 -0.04 0.00 0.00 -1.15 -4.21 120.51 115.76 2gya n ALA 122 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2gya n ALA 122 Cb 0.07 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 2gya n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gya n LYS 123 N 0.57 0.99 -3.99 0.00 5.02 0.21 -4.95 118.16 116.01 2gya n LYS 123 Ca 0.15 -0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 2gya n LYS 123 Cb 0.47 -1.40 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 2gya n LYS 123 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2gya s LEU 124 N -4.68 3.97 -0.68 -0.35 2.34 -1.11 -4.92 118.68 113.25 2gya s LEU 124 Ca -0.07 0.20 -0.26 0.00 0.06 0.00 0.00 54.13 54.06 2gya s LEU 124 Cb 0.08 -1.99 -0.02 0.00 -0.56 0.00 0.00 46.19 43.70 2gya s LEU 124 CO 0.67 0.26 1.79 -2.16 -1.06 0.00 0.00 176.35 175.85 2gya s PRO 125 N -0.15 2.71 0.00 1.48 0.04 -1.26 -4.78 135.00 133.04 2gya s PRO 125 Ca 0.08 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2gya s PRO 125 Cb -0.12 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2gya s PRO 125 CO 0.01 -2.74 0.00 1.51 0.04 0.00 0.00 177.00 175.81 2gya n ILE 126 N 7.20 0.00 -2.04 0.56 0.00 -1.26 -4.95 119.36 118.86 2gya n ILE 126 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 62.75 62.54 2gya n ILE 126 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 40.12 2gya n ILE 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2gya s LYS 127 N -1.29 3.35 0.23 9.51 1.02 -1.26 -4.99 119.74 126.31 2gya s LYS 127 Ca 0.00 1.35 0.05 0.00 0.02 0.00 0.00 55.97 57.39 2gya s LYS 127 Cb 0.00 -4.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 2gya s LYS 127 CO 0.00 -1.84 0.30 0.95 -0.92 0.00 0.00 175.35 173.84 2gya s THR 128 N 6.77 5.07 0.06 2.17 -4.23 -1.26 -3.46 115.64 120.76 2gya s THR 128 Ca 0.77 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 2gya s THR 128 Cb -0.21 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 2gya s THR 128 CO 0.33 -0.29 -0.16 0.28 -0.54 0.00 0.00 174.62 174.25 2gya s THR 129 N -1.97 1.25 -0.06 3.99 -1.32 -0.30 -4.97 115.64 112.27 2gya s THR 129 Ca 0.34 -1.23 -0.26 0.00 -1.21 0.00 0.00 61.69 59.32 2gya s THR 129 Cb -0.09 -1.15 -0.03 0.00 -1.51 0.00 0.00 72.50 69.72 2gya s THR 129 CO 0.28 -0.09 0.84 0.12 -2.21 0.00 0.00 174.62 173.56 2gya s PHE 130 N -1.07 3.58 -0.03 9.09 5.36 -1.26 -2.99 117.98 130.66 2gya s PHE 130 Ca 0.01 1.44 0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2gya s PHE 130 Cb -0.09 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.60 2gya s PHE 130 CO 0.02 -0.01 -0.23 0.08 -1.46 0.00 0.00 175.22 173.62 2gya s VAL 131 N 1.13 1.83 -0.06 3.12 1.01 -1.25 -4.97 120.40 121.21 2gya s VAL 131 Ca 0.44 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2gya s VAL 131 Cb -0.19 -1.54 -0.25 0.00 0.00 0.00 0.00 36.38 34.40 2gya s VAL 131 CO 0.21 0.52 0.61 0.00 0.00 0.00 0.00 175.10 176.44 2gya h THR 132 N 4.83 0.85 0.00 3.92 1.03 -1.96 -3.38 112.91 118.19 2gya h THR 132 Ca -0.37 -2.61 0.00 0.00 -0.01 0.00 0.00 66.41 63.43 2gya h THR 132 Cb 1.15 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 70.76 2gya h THR 132 CO 0.47 0.71 0.00 2.29 -0.01 0.00 0.00 175.52 178.99