#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kda s LEU 7 N 0.00 3.79 -0.02 -0.35 1.43 -1.26 -5.10 118.68 117.17 1kda s LEU 7 Ca 0.00 0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1kda s LEU 7 Cb 0.00 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1kda s LEU 7 CO 0.00 -0.44 0.11 -1.38 0.23 0.00 0.00 176.35 174.87 1kda s HIS 8 N -2.47 -0.03 0.24 0.29 -3.43 -1.26 -5.12 115.29 103.51 1kda s HIS 8 Ca 0.48 0.08 -0.20 0.00 -0.80 0.00 0.00 55.06 54.62 1kda s HIS 8 Cb -0.10 -0.01 -0.08 0.00 -1.43 0.00 0.00 32.58 30.95 1kda s HIS 8 CO 0.36 -0.15 0.75 0.15 -2.00 0.00 0.00 174.74 173.86 1kda s LYS 9 N -0.57 4.27 0.05 -0.38 1.02 -1.26 -4.40 119.74 118.47 1kda s LYS 9 Ca -0.06 0.91 0.05 0.00 0.02 0.00 0.00 55.97 56.88 1kda s LYS 9 Cb -0.04 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1kda s LYS 9 CO 0.00 0.37 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.45 1kda s GLU 10 N -2.04 0.90 0.52 1.68 2.02 -0.22 -4.94 118.70 116.63 1kda s GLU 10 Ca 0.44 -0.80 -0.19 0.00 0.02 0.00 0.00 54.97 54.44 1kda s GLU 10 Cb -0.16 -0.91 -0.07 0.00 0.10 0.00 0.00 34.13 33.09 1kda s GLU 10 CO 0.21 0.22 1.09 -1.25 0.02 0.00 0.00 175.26 175.54 1kda s PRO 11 N -1.27 3.53 0.19 0.39 0.04 -1.26 -0.40 135.00 136.21 1kda s PRO 11 Ca 0.01 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.39 1kda s PRO 11 Cb -0.08 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1kda s PRO 11 CO 0.01 -0.68 0.41 0.00 0.04 0.00 0.00 177.00 176.79 1kda s ALA 12 N -1.92 -0.42 -0.09 8.56 0.00 -0.82 -4.69 121.76 122.39 1kda s ALA 12 Ca 0.70 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1kda s ALA 12 Cb -0.20 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1kda s ALA 12 CO 0.25 -0.74 -0.17 0.99 0.00 0.00 0.00 175.76 176.09 1kda s THR 13 N -3.94 1.53 0.21 0.00 2.01 -0.36 -4.21 115.64 110.89 1kda s THR 13 Ca 0.15 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 61.14 1kda s THR 13 Cb 0.01 -1.37 -0.11 0.00 0.01 0.00 0.00 72.50 71.04 1kda s THR 13 CO 0.00 0.44 1.59 -0.22 -0.69 0.00 0.00 174.62 175.74 1kda s LEU 14 N 0.64 4.37 -0.11 4.42 2.96 -1.26 0.07 118.68 129.77 1kda s LEU 14 Ca -0.14 2.75 -0.10 0.00 -0.22 0.00 0.00 54.13 56.42 1kda s LEU 14 Cb -0.16 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1kda s LEU 14 CO 0.04 -0.85 -0.21 -0.38 -1.32 0.00 0.00 176.35 173.62 1kda n ILE 15 N 3.34 1.19 -3.64 6.68 5.41 -0.60 -4.82 119.36 126.92 1kda n ILE 15 Ca 0.12 0.04 -0.08 0.00 1.00 0.00 0.00 62.75 63.84 1kda n ILE 15 Cb 0.38 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.33 1kda n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1kda s LYS 16 N -2.44 0.62 -0.02 0.38 2.20 -0.95 -5.01 119.74 114.52 1kda s LYS 16 Ca -0.20 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.09 1kda s LYS 16 Cb 0.05 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1kda s LYS 16 CO 0.27 -0.11 0.89 0.00 -0.36 0.00 0.00 175.35 176.05 1kda s ALA 17 N 1.12 3.22 -0.22 3.13 0.00 -1.26 0.12 121.76 127.87 1kda s ALA 17 Ca -0.06 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1kda s ALA 17 Cb -0.05 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1kda s ALA 17 CO -0.13 -0.19 -0.26 -0.89 0.00 0.00 0.00 175.76 174.29 1kda n ILE 18 N 3.87 1.23 -3.98 0.00 5.41 -0.70 -4.93 119.36 120.27 1kda n ILE 18 Ca 0.04 -0.36 -0.13 0.00 1.00 0.00 0.00 62.75 63.30 1kda n ILE 18 Cb 0.51 -1.65 -0.02 0.00 -0.71 0.00 0.00 39.64 37.78 1kda n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1kda n ASP 19 N -3.75 -1.38 0.19 4.38 -0.08 -0.27 -4.97 116.55 110.66 1kda n ASP 19 Ca -0.43 -2.70 0.06 0.00 -1.51 0.00 0.00 54.79 50.21 1kda n ASP 19 Cb 0.84 2.52 0.54 0.00 2.34 0.00 0.00 41.12 47.35 1kda n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1kda h GLY 20 N 1.82 0.13 -0.96 0.27 0.00 -1.83 -3.12 103.07 99.38 1kda h GLY 20 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1kda h GLY 20 CO 0.35 0.06 0.00 2.09 0.00 0.00 0.00 176.54 179.03 1kda n ASP 21 N -4.44 2.71 -3.77 0.19 5.75 -1.26 -4.79 116.55 110.94 1kda n ASP 21 Ca -0.02 -2.02 -0.14 0.00 -0.01 0.00 0.00 54.79 52.61 1kda n ASP 21 Cb 0.15 -0.18 -0.15 0.00 -1.03 0.00 0.00 41.12 39.91 1kda n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1kda s THR 22 N -1.03 -0.04 0.02 2.12 2.01 -1.18 -1.04 115.64 116.50 1kda s THR 22 Ca 0.18 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.32 1kda s THR 22 Cb 0.09 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 1kda s THR 22 CO 0.12 0.06 -0.02 0.68 -0.69 0.00 0.00 174.62 174.77 1kda s VAL 23 N 0.90 0.10 -0.19 3.82 -7.23 -0.78 -1.11 120.40 115.91 1kda s VAL 23 Ca -0.07 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.21 1kda s VAL 23 Cb -0.10 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.56 1kda s VAL 23 CO -0.04 -0.43 0.12 -0.75 -0.31 0.00 0.00 175.10 173.68 1kda s LYS 24 N -1.28 4.13 0.14 4.82 2.20 0.12 -0.53 119.74 129.34 1kda s LYS 24 Ca -0.14 -0.24 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 1kda s LYS 24 Cb -0.09 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 1kda s LYS 24 CO -0.01 0.31 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.67 1kda s LEU 25 N 0.33 2.50 -0.40 5.43 1.43 0.57 -1.56 118.68 126.98 1kda s LEU 25 Ca 0.07 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1kda s LEU 25 Cb -0.11 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.73 1kda s LEU 25 CO -0.01 -0.29 0.35 -0.32 0.23 0.00 0.00 176.35 176.31 1kda s MET 26 N -3.48 3.16 -0.15 1.70 -2.45 0.11 -0.30 119.30 117.88 1kda s MET 26 Ca 0.15 -0.80 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 1kda s MET 26 Cb 0.01 -3.93 0.02 0.00 1.25 0.00 0.00 34.83 32.18 1kda s MET 26 CO 0.01 -0.73 -0.14 -0.47 1.05 0.00 0.00 175.02 174.75 1kda s TYR 27 N 1.91 2.19 -1.38 4.11 5.04 0.21 -1.22 117.35 128.20 1kda s TYR 27 Ca 0.09 -1.24 -0.06 0.00 -2.44 0.00 0.00 57.07 53.42 1kda s TYR 27 Cb -0.18 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.56 1kda s TYR 27 CO 0.12 -0.68 0.88 1.63 -1.34 0.00 0.00 175.55 176.16 1kda n LYS 28 N 4.77 -5.65 -0.60 4.97 5.02 -1.26 -1.26 118.16 124.14 1kda n LYS 28 Ca -0.17 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1kda n LYS 28 Cb 0.50 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1kda n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kda n GLY 29 N -1.62 0.97 3.41 0.72 0.00 -1.26 -4.98 105.19 102.42 1kda n GLY 29 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1kda n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kda s GLN 30 N -0.27 3.48 0.17 1.61 2.00 -0.39 -5.09 119.66 121.17 1kda s GLN 30 Ca 0.00 -0.63 -0.30 0.00 -2.00 0.00 0.00 55.36 52.43 1kda s GLN 30 Cb 0.00 -2.74 -0.07 0.00 0.80 0.00 0.00 33.01 30.99 1kda s GLN 30 CO 0.00 0.21 1.11 -1.25 -0.50 0.00 0.00 175.29 174.86 1kda s PRO 31 N 0.40 4.57 0.02 1.67 0.04 -1.26 -0.62 135.00 139.83 1kda s PRO 31 Ca -0.08 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 1kda s PRO 31 Cb -0.15 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.16 1kda s PRO 31 CO 0.04 0.04 0.56 0.00 0.04 0.00 0.00 177.00 177.68 1kda s MET 32 N -0.25 1.04 -0.10 4.56 0.23 0.59 -4.94 119.30 120.43 1kda s MET 32 Ca 0.50 -0.09 -0.20 0.00 -1.03 0.00 0.00 55.69 54.87 1kda s MET 32 Cb -0.30 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 1kda s MET 32 CO 0.35 -0.36 0.55 0.99 -2.03 0.00 0.00 175.02 174.51 1kda s THR 33 N -2.08 5.13 -0.10 3.16 2.01 -1.26 -0.32 115.64 122.17 1kda s THR 33 Ca -0.07 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.05 1kda s THR 33 Cb -0.01 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1kda s THR 33 CO 0.01 0.31 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.77 1kda s PHE 34 N 0.63 2.80 -0.20 4.92 0.40 0.31 -0.47 117.98 126.38 1kda s PHE 34 Ca 0.30 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1kda s PHE 34 Cb -0.16 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1kda s PHE 34 CO 0.13 -0.05 0.09 0.50 0.70 0.00 0.00 175.22 176.59 1kda s ARG 35 N -0.03 3.99 -0.04 0.44 6.06 0.65 -1.87 118.95 128.16 1kda s ARG 35 Ca -0.03 -0.33 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 1kda s ARG 35 Cb -0.14 -3.30 -0.05 0.00 0.06 0.00 0.00 34.95 31.51 1kda s ARG 35 CO 0.04 0.21 1.55 -0.51 -2.50 0.00 0.00 175.30 174.08 1kda s LEU 36 N 0.57 4.31 0.48 -0.88 1.43 -0.21 -2.96 118.68 121.42 1kda s LEU 36 Ca 0.05 2.17 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 1kda s LEU 36 Cb -0.13 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1kda s LEU 36 CO 0.01 -0.85 1.33 -0.76 0.23 0.00 0.00 176.35 176.31 1kda s LEU 37 N 3.42 4.03 -0.12 1.79 1.43 -0.50 -3.78 118.68 124.94 1kda s LEU 37 Ca 0.69 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 56.50 1kda s LEU 37 Cb -0.32 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1kda s LEU 37 CO 0.27 -1.21 0.00 0.18 0.23 0.00 0.00 176.35 175.83 1kda n LEU 38 N -0.47 0.80 -4.19 1.79 4.77 -1.26 -4.94 117.00 113.50 1kda n LEU 38 Ca 0.07 0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 1kda n LEU 38 Cb 0.44 -2.39 -0.12 0.00 -2.33 0.00 0.00 43.42 39.02 1kda n LEU 38 CO 0.54 -0.94 -0.47 0.68 -1.33 0.00 0.00 177.39 175.87 1kda s VAL 39 N -1.16 1.22 -0.24 4.08 -7.23 -1.25 -0.46 120.40 115.36 1kda s VAL 39 Ca 0.00 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1kda s VAL 39 Cb 0.00 -1.16 0.06 0.00 0.56 0.00 0.00 36.38 35.85 1kda s VAL 39 CO 0.00 -0.19 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.75 1kda s ASP 40 N -1.75 3.91 0.10 4.85 1.01 0.35 -4.71 116.67 120.43 1kda s ASP 40 Ca -0.00 -1.25 0.02 0.00 0.71 0.00 0.00 52.55 52.02 1kda s ASP 40 Cb -0.10 -1.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 1kda s ASP 40 CO 0.03 -0.25 0.22 0.42 0.21 0.00 0.00 175.17 175.80 1kda s THR 41 N 1.38 5.22 0.31 -1.27 -4.23 -1.26 -1.53 115.64 114.26 1kda s THR 41 Ca -0.04 -0.58 -0.29 0.00 -1.18 0.00 0.00 61.69 59.59 1kda s THR 41 Cb -0.19 -3.61 -0.11 0.00 1.34 0.00 0.00 72.50 69.94 1kda s THR 41 CO -0.07 0.03 1.47 -2.84 -0.54 0.00 0.00 174.62 172.68 1kda s PRO 42 N -2.81 4.19 0.13 3.99 0.02 -1.26 -4.94 135.00 134.32 1kda s PRO 42 Ca 0.34 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 63.79 1kda s PRO 42 Cb -0.12 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1kda s PRO 42 CO 0.27 -0.47 0.31 -1.21 -0.33 0.00 0.00 177.00 175.57 1kda s GLU 43 N -1.18 3.51 -0.25 5.54 2.02 -1.26 -4.18 118.70 122.90 1kda s GLU 43 Ca 0.57 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.26 1kda s GLU 43 Cb -0.45 -2.92 -0.19 0.00 0.10 0.00 0.00 34.13 30.68 1kda s GLU 43 CO 0.52 0.50 -0.16 0.25 0.02 0.00 0.00 175.26 176.39 1kda n THR 44 N -0.15 1.48 -2.02 3.63 -2.24 -1.26 -1.41 114.28 112.32 1kda n THR 44 Ca -0.04 -0.62 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 1kda n THR 44 Cb 0.52 -1.26 0.03 0.00 -2.10 0.00 0.00 70.33 67.53 1kda n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kda n LYS 45 N -3.18 2.89 -2.74 -0.78 5.02 -1.26 -3.55 118.16 114.56 1kda n LYS 45 Ca -0.43 -3.72 -0.42 0.00 -2.02 0.00 0.00 58.31 51.72 1kda n LYS 45 Cb 1.02 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1kda n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1kda s HIS 46 N -3.97 3.56 0.17 2.13 2.46 -0.99 -4.96 115.29 113.70 1kda s HIS 46 Ca 0.51 1.58 -0.28 0.00 0.47 0.00 0.00 55.06 57.34 1kda s HIS 46 Cb 0.43 -3.12 -0.00 0.00 -0.13 0.00 0.00 32.58 29.76 1kda s HIS 46 CO -0.37 -0.12 1.55 -1.00 -2.47 0.00 0.00 174.74 172.33 1kda h PRO 47 N 6.98 -0.10 -6.10 2.88 0.13 -1.95 -2.65 132.00 131.21 1kda h PRO 47 Ca -0.35 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.20 1kda h PRO 47 Cb 1.18 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1kda h PRO 47 CO 0.81 -0.06 -0.37 -1.59 -0.23 0.00 0.00 178.00 176.55 1kda s LYS 48 N -5.66 3.54 0.00 0.86 0.00 -1.26 -4.56 119.74 112.66 1kda s LYS 48 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 55.97 55.59 1kda s LYS 48 Cb 0.13 -2.91 0.00 0.00 0.00 0.00 0.00 37.83 35.05 1kda s LYS 48 CO 0.64 0.50 0.00 0.36 0.00 0.00 0.00 175.35 176.85 1kda n LYS 49 N 0.01 0.00 0.00 1.78 2.85 -1.26 -4.84 118.16 116.70 1kda n LYS 49 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1kda n LYS 49 Cb 0.52 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1kda n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1kda n GLY 50 N 0.00 1.34 3.70 2.58 0.00 -1.00 -4.93 105.19 106.88 1kda n GLY 50 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1kda n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kda s VAL 51 N 0.00 5.24 0.40 1.61 1.01 -1.23 -2.34 120.40 125.10 1kda s VAL 51 Ca 0.00 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.71 1kda s VAL 51 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1kda s VAL 51 CO 0.00 0.31 0.35 -1.61 0.00 0.00 0.00 175.10 174.15 1kda s GLU 52 N 0.92 2.55 0.05 2.72 2.02 -0.50 -5.01 118.70 121.46 1kda s GLU 52 Ca 0.18 -1.51 -0.31 0.00 0.02 0.00 0.00 54.97 53.36 1kda s GLU 52 Cb -0.14 -2.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.64 1kda s GLU 52 CO 0.07 -0.13 1.51 0.15 0.02 0.00 0.00 175.26 176.88 1kda s LYS 53 N -4.09 4.25 0.00 1.61 1.02 -1.26 -1.74 119.74 119.52 1kda s LYS 53 Ca 0.46 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.60 1kda s LYS 53 Cb -0.03 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1kda s LYS 53 CO 0.27 -0.63 0.00 0.66 -0.92 0.00 0.00 175.35 174.73 1kda n TYR 54 N 5.25 0.00 0.19 3.18 4.01 -1.26 -4.77 117.16 123.76 1kda n TYR 54 Ca 0.14 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.73 1kda n TYR 54 Cb 0.42 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.37 1kda n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1kda h GLY 55 N 0.00 -0.46 1.74 2.72 0.00 -1.50 0.41 103.07 105.97 1kda h GLY 55 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1kda h GLY 55 CO 0.00 -0.17 -0.05 -2.55 0.00 0.00 0.00 176.54 173.77 1kda h PRO 56 N -0.54 0.33 -0.24 4.80 0.11 -1.86 -1.09 132.00 133.52 1kda h PRO 56 Ca -0.05 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 1kda h PRO 56 Cb 0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1kda h PRO 56 CO 0.07 0.40 -0.27 0.93 -0.21 0.00 0.00 178.00 178.92 1kda h GLU 57 N 0.32 0.61 -0.50 1.05 3.07 -1.91 -1.20 114.58 116.02 1kda h GLU 57 Ca 0.07 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 1kda h GLU 57 Cb 0.30 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1kda h GLU 57 CO 0.01 0.94 0.11 0.00 -1.40 0.00 0.00 179.01 178.66 1kda h ALA 58 N 0.67 0.66 -0.61 3.43 0.00 -0.60 -1.25 119.26 121.56 1kda h ALA 58 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1kda h ALA 58 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1kda h ALA 58 CO 0.07 0.37 0.12 0.77 0.00 0.00 0.00 179.25 180.57 1kda h SER 59 N 0.69 0.95 -0.24 0.00 0.02 -1.18 -1.81 113.55 111.98 1kda h SER 59 Ca 0.15 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1kda h SER 59 Cb 0.35 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1kda h SER 59 CO 0.00 0.95 -0.22 0.00 -1.14 0.00 0.00 176.83 176.43 1kda h ALA 60 N 1.03 0.93 0.12 3.77 0.00 -1.08 -0.74 119.26 123.29 1kda h ALA 60 Ca 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kda h ALA 60 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1kda h ALA 60 CO 0.01 0.61 -0.06 0.35 0.00 0.00 0.00 179.25 180.16 1kda h PHE 61 N 0.62 -0.15 -0.26 0.00 3.57 -1.01 0.41 116.94 120.12 1kda h PHE 61 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1kda h PHE 61 Cb 0.71 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1kda h PHE 61 CO 0.03 0.06 0.17 1.15 -2.23 0.00 0.00 178.31 177.49 1kda h THR 62 N -0.34 1.07 -0.04 4.41 2.02 -1.27 -1.06 112.91 117.70 1kda h THR 62 Ca -0.02 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1kda h THR 62 Cb 0.28 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1kda h THR 62 CO 0.03 0.07 -0.09 0.50 0.37 0.00 0.00 175.52 176.39 1kda h LYS 63 N 0.35 -0.13 -0.39 6.66 3.64 -1.06 -1.02 116.57 124.61 1kda h LYS 63 Ca 0.09 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1kda h LYS 63 Cb -0.04 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1kda h LYS 63 CO -0.02 -0.09 0.26 -0.22 -2.27 0.00 0.00 179.45 177.11 1kda h LYS 64 N -0.14 0.51 -0.24 1.90 3.64 -0.79 -0.11 116.57 121.35 1kda h LYS 64 Ca 0.05 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1kda h LYS 64 Cb 0.21 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1kda h LYS 64 CO -0.12 0.34 0.14 1.98 -2.27 0.00 0.00 179.45 179.51 1kda h MET 65 N 0.53 0.32 -0.01 1.90 4.05 -0.89 -2.30 114.93 118.52 1kda h MET 65 Ca 0.14 -0.03 -0.19 0.00 -0.28 0.00 0.00 59.70 59.35 1kda h MET 65 Cb -0.06 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1kda h MET 65 CO -0.04 0.26 -0.82 -0.39 0.23 0.00 0.00 176.91 176.15 1kda h VAL 66 N 0.29 1.47 -0.00 -5.77 -1.51 -1.03 -3.15 116.25 106.54 1kda h VAL 66 Ca 0.08 -2.48 -0.14 0.00 -1.23 0.00 0.00 66.70 62.94 1kda h VAL 66 Cb 0.03 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.53 1kda h VAL 66 CO -0.02 0.72 -0.66 -0.33 -1.23 0.00 0.00 177.57 176.06 1kda h GLU 67 N 0.13 0.01 -0.02 5.19 5.08 -0.98 -3.01 114.58 120.99 1kda h GLU 67 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1kda h GLU 67 Cb 1.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1kda h GLU 67 CO 0.13 0.66 -0.06 0.09 -1.00 0.00 0.00 179.01 178.83 1kda n ASN 68 N -3.76 1.59 -4.77 1.42 3.02 -0.87 -4.93 115.26 106.95 1kda n ASN 68 Ca -0.01 -1.44 -0.38 0.00 -0.03 0.00 0.00 54.58 52.71 1kda n ASN 68 Cb 0.65 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 1kda n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kda s ALA 69 N -2.10 3.20 -0.05 5.41 0.00 -1.14 -4.96 121.76 122.11 1kda s ALA 69 Ca 0.34 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 1kda s ALA 69 Cb 0.20 -3.33 -0.27 0.00 0.00 0.00 0.00 23.12 19.73 1kda s ALA 69 CO 0.37 -0.32 0.64 -0.22 0.00 0.00 0.00 175.76 176.23 1kda h LYS 70 N 2.90 0.24 -3.92 0.00 3.64 -1.91 -3.46 116.57 114.05 1kda h LYS 70 Ca -0.48 -0.41 -0.37 0.00 -1.27 0.00 0.00 60.65 58.12 1kda h LYS 70 Cb 1.22 0.15 -0.33 0.00 -0.41 0.00 0.00 32.23 32.86 1kda h LYS 70 CO 0.64 1.08 -0.76 0.15 -2.27 0.00 0.00 179.45 178.29 1kda s LYS 71 N -2.59 0.53 -0.12 1.90 1.02 -1.26 -5.03 119.74 114.19 1kda s LYS 71 Ca -0.14 -0.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1kda s LYS 71 Cb 0.07 -0.61 -0.02 0.00 -0.52 0.00 0.00 37.83 36.74 1kda s LYS 71 CO 0.82 -0.08 -0.08 0.42 -0.92 0.00 0.00 175.35 175.52 1kda s ILE 72 N 0.80 3.52 0.01 2.17 -1.09 -1.26 -1.22 121.20 124.14 1kda s ILE 72 Ca -0.09 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1kda s ILE 72 Cb -0.12 -2.49 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 1kda s ILE 72 CO -0.01 0.53 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.52 1kda s GLU 73 N 0.02 0.78 -0.00 2.79 2.02 -0.29 -1.94 118.70 122.08 1kda s GLU 73 Ca -0.02 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.51 1kda s GLU 73 Cb -0.14 -0.74 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 1kda s GLU 73 CO 0.03 0.19 -0.08 0.14 0.02 0.00 0.00 175.26 175.56 1kda s VAL 74 N -0.51 3.53 -0.25 2.63 -7.23 0.46 -0.25 120.40 118.78 1kda s VAL 74 Ca 0.02 -0.78 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1kda s VAL 74 Cb -0.05 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.45 1kda s VAL 74 CO 0.00 0.43 0.02 -0.70 -0.31 0.00 0.00 175.10 174.54 1kda s GLU 75 N -1.30 1.12 0.52 4.82 2.12 0.11 -1.06 118.70 125.03 1kda s GLU 75 Ca 0.16 -0.94 -0.19 0.00 0.36 0.00 0.00 54.97 54.36 1kda s GLU 75 Cb -0.11 -2.36 -0.07 0.00 0.26 0.00 0.00 34.13 31.85 1kda s GLU 75 CO 0.06 -0.74 1.03 -0.06 -0.54 0.00 0.00 175.26 175.01 1kda s PHE 76 N 1.53 3.07 0.00 5.30 0.08 -1.26 -0.73 117.98 125.96 1kda s PHE 76 Ca 0.01 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.61 1kda s PHE 76 Cb -0.18 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.27 1kda s PHE 76 CO -0.12 -0.81 0.00 -3.47 -0.10 0.00 0.00 175.22 170.72 1kda n ASP 77 N -1.33 0.00 0.01 1.36 -0.08 -1.26 -4.67 116.55 110.58 1kda n ASP 77 Ca 0.09 -0.23 0.12 0.00 -1.51 0.00 0.00 54.79 53.26 1kda n ASP 77 Cb 0.53 0.00 0.25 0.00 2.34 0.00 0.00 41.12 44.24 1kda n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1kda n LYS 78 N -0.23 0.04 0.00 -0.67 2.85 -1.26 -4.91 118.16 113.98 1kda n LYS 78 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1kda n LYS 78 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1kda n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1kda n GLY 79 N 1.48 1.69 3.77 2.58 0.00 -1.26 -4.96 105.19 108.50 1kda n GLY 79 Ca 0.05 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1kda n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1kda s GLN 80 N 3.36 4.21 0.00 1.61 0.00 -1.26 -4.94 119.66 122.64 1kda s GLN 80 Ca 0.00 2.42 0.24 0.00 -0.00 0.00 0.00 55.36 58.03 1kda s GLN 80 Cb 0.00 -3.02 0.35 0.00 0.00 0.00 0.00 33.01 30.35 1kda s GLN 80 CO 0.00 -0.40 1.31 0.54 0.00 0.00 0.00 175.29 176.75 1kda n ARG 81 N 0.72 0.98 -3.89 9.60 1.74 -1.26 -4.79 116.66 119.75 1kda n ARG 81 Ca 0.01 -0.71 -0.11 0.00 -0.77 0.00 0.00 57.85 56.27 1kda n ARG 81 Cb 0.40 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 1kda n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1kda s THR 82 N -2.52 0.05 0.52 0.55 -4.23 -1.26 -0.55 115.64 108.21 1kda s THR 82 Ca 0.21 -0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1kda s THR 82 Cb 0.19 -0.24 0.11 0.00 1.34 0.00 0.00 72.50 73.89 1kda s THR 82 CO 0.56 -0.24 0.72 -0.90 -0.54 0.00 0.00 174.62 174.21 1kda n ASP 83 N 2.21 0.83 0.13 3.99 5.68 -0.12 -4.91 116.55 124.37 1kda n ASP 83 Ca -0.18 -1.73 0.10 0.00 -0.50 0.00 0.00 54.79 52.47 1kda n ASP 83 Cb 0.57 -0.48 0.49 0.00 -1.14 0.00 0.00 41.12 40.56 1kda n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1kda n LYS 84 N -2.35 0.13 -0.08 0.11 2.85 -1.26 -1.38 118.16 116.18 1kda n LYS 84 Ca 0.11 0.54 0.12 0.00 -1.05 0.00 0.00 58.31 58.04 1kda n LYS 84 Cb 0.41 -1.87 0.21 0.00 -0.65 0.00 0.00 35.03 33.13 1kda n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1kda n TYR 85 N -2.14 0.22 -0.65 5.58 4.01 -1.26 -4.94 117.16 117.98 1kda n TYR 85 Ca -0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1kda n TYR 85 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1kda n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kda n GLY 86 N 1.38 0.74 3.73 2.72 0.00 -0.48 -5.04 105.19 108.24 1kda n GLY 86 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1kda n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kda s ARG 87 N -0.35 4.60 0.35 1.61 0.52 -1.26 -4.75 118.95 119.67 1kda s ARG 87 Ca 0.00 1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 56.22 1kda s ARG 87 Cb 0.00 -3.38 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 1kda s ARG 87 CO 0.00 0.20 1.25 0.20 0.02 0.00 0.00 175.30 176.97 1kda s GLY 88 N 0.12 2.98 -0.30 -3.53 0.00 0.39 -0.94 107.32 106.04 1kda s GLY 88 Ca 0.44 1.15 -0.06 0.00 0.00 0.00 0.00 44.72 46.25 1kda s GLY 88 CO 0.27 1.76 0.06 1.08 0.00 0.00 0.00 173.10 176.27 1kda s LEU 89 N -1.96 3.84 0.29 0.66 1.43 0.29 -0.25 118.68 122.98 1kda s LEU 89 Ca 0.51 -0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 1kda s LEU 89 Cb -0.37 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1kda s LEU 89 CO 0.48 -0.21 0.77 0.00 0.23 0.00 0.00 176.35 177.62 1kda s ALA 90 N 1.46 -1.16 -0.18 4.21 0.00 -1.16 -4.35 121.76 120.57 1kda s ALA 90 Ca 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 1kda s ALA 90 Cb -0.18 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1kda s ALA 90 CO 0.02 -1.03 0.25 0.71 0.00 0.00 0.00 175.76 175.71 1kda s TYR 91 N -3.47 3.43 -0.14 0.00 2.02 0.09 -1.41 117.35 117.87 1kda s TYR 91 Ca 0.12 0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 57.29 1kda s TYR 91 Cb -0.05 -2.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1kda s TYR 91 CO 0.08 0.22 -0.02 0.42 -1.57 0.00 0.00 175.55 174.67 1kda s ILE 92 N 0.56 4.04 -0.08 2.71 1.01 -1.26 0.07 121.20 128.24 1kda s ILE 92 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1kda s ILE 92 Cb -0.13 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1kda s ILE 92 CO 0.03 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.03 1kda s TYR 93 N 0.05 2.73 -0.26 3.97 1.51 0.66 -0.26 117.35 125.76 1kda s TYR 93 Ca 0.01 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1kda s TYR 93 Cb -0.13 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.07 1kda s TYR 93 CO 0.02 0.02 -0.11 0.00 -1.11 0.00 0.00 175.55 174.38 1kda s ALA 94 N -0.31 2.57 -1.52 3.71 0.00 0.15 -1.13 121.76 125.23 1kda s ALA 94 Ca 0.03 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 1kda s ALA 94 Cb -0.13 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.48 1kda s ALA 94 CO 0.03 -1.20 0.86 -0.25 0.00 0.00 0.00 175.76 175.20 1kda n ASP 95 N 4.43 -3.60 0.00 0.00 8.00 -0.36 -1.47 116.55 123.55 1kda n ASP 95 Ca -0.14 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1kda n ASP 95 Cb 0.42 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 1kda n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kda n GLY 96 N -1.65 2.45 3.79 0.44 0.00 -1.26 -5.03 105.19 103.93 1kda n GLY 96 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1kda n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kda s LYS 97 N -0.35 3.93 -0.15 1.61 3.01 -0.54 -5.03 119.74 122.21 1kda s LYS 97 Ca 0.00 0.03 -0.29 0.00 -1.01 0.00 0.00 55.97 54.70 1kda s LYS 97 Cb 0.00 -3.32 -0.01 0.00 -1.01 0.00 0.00 37.83 33.50 1kda s LYS 97 CO 0.00 0.50 1.11 1.41 0.51 0.00 0.00 175.35 178.87 1kda s MET 98 N -0.29 4.31 0.22 1.68 1.75 -1.26 -0.68 119.30 125.03 1kda s MET 98 Ca 0.16 1.49 -0.08 0.00 -1.25 0.00 0.00 55.69 56.00 1kda s MET 98 Cb -0.13 -3.63 0.19 0.00 2.84 0.00 0.00 34.83 34.10 1kda s MET 98 CO 0.05 -0.53 1.85 0.28 -0.65 0.00 0.00 175.02 176.01 1kda h VAL 99 N 5.29 1.24 -0.37 10.11 2.07 -0.99 -1.79 116.25 131.82 1kda h VAL 99 Ca -0.26 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 66.74 1kda h VAL 99 Cb 1.11 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1kda h VAL 99 CO 0.93 0.27 0.05 0.78 0.02 0.00 0.00 177.57 179.61 1kda h ASN 100 N 1.17 -0.04 -0.27 0.57 4.21 -1.92 -1.55 115.58 117.76 1kda h ASN 100 Ca 0.30 0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.81 1kda h ASN 100 Cb 0.00 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.30 1kda h ASN 100 CO -0.05 0.01 -0.10 -0.08 -1.29 0.00 0.00 177.43 175.92 1kda h GLU 101 N 0.16 0.54 -0.67 0.81 4.22 -1.87 -3.00 114.58 114.78 1kda h GLU 101 Ca 0.18 -0.22 0.12 0.00 0.08 0.00 0.00 59.36 59.51 1kda h GLU 101 Cb 0.22 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1kda h GLU 101 CO -0.25 0.77 0.24 0.00 -2.18 0.00 0.00 179.01 177.59 1kda h ALA 102 N 0.75 0.88 -0.26 2.92 0.00 -0.94 0.14 119.26 122.76 1kda h ALA 102 Ca 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kda h ALA 102 Cb 0.59 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1kda h ALA 102 CO 0.03 -0.22 0.16 -0.07 0.00 0.00 0.00 179.25 179.15 1kda h LEU 103 N 0.39 0.31 -0.27 0.00 3.38 -1.27 -2.04 115.31 115.82 1kda h LEU 103 Ca 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1kda h LEU 103 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1kda h LEU 103 CO -0.36 0.27 0.11 0.58 0.09 0.00 0.00 178.44 179.12 1kda h VAL 104 N 0.33 1.17 -0.69 1.22 2.07 -1.24 -0.74 116.25 118.37 1kda h VAL 104 Ca 0.09 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.18 1kda h VAL 104 Cb 0.01 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1kda h VAL 104 CO -0.02 0.17 0.45 -0.09 0.02 0.00 0.00 177.57 178.11 1kda h ARG 105 N 0.29 0.61 -0.04 1.57 9.65 -0.58 -0.35 114.38 125.52 1kda h ARG 105 Ca 0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1kda h ARG 105 Cb 0.17 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1kda h ARG 105 CO -0.01 0.40 0.00 1.04 2.80 0.00 0.00 179.97 184.21 1kda n GLN 106 N -4.48 1.27 -2.38 0.20 1.13 -0.78 -4.45 117.38 107.89 1kda n GLN 106 Ca 0.11 -0.41 -0.16 0.00 -1.94 0.00 0.00 57.00 54.61 1kda n GLN 106 Cb 0.29 -1.38 -0.00 0.00 0.11 0.00 0.00 30.24 29.26 1kda n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kda n GLY 107 N 0.97 -0.26 0.82 1.08 0.00 -0.14 -4.38 105.19 103.27 1kda n GLY 107 Ca 0.17 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1kda n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kda n LEU 108 N -2.35 3.00 -3.46 0.99 4.77 -0.30 -1.62 117.00 118.02 1kda n LEU 108 Ca -0.17 -1.68 -0.14 0.00 -0.03 0.00 0.00 56.01 53.99 1kda n LEU 108 Cb 0.63 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1kda n LEU 108 CO 0.23 0.70 0.43 0.00 -1.33 0.00 0.00 177.39 177.42 1kda s ALA 109 N -1.10 -1.68 0.06 -1.18 0.00 -1.20 -4.32 121.76 112.34 1kda s ALA 109 Ca 0.28 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.14 1kda s ALA 109 Cb 0.16 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1kda s ALA 109 CO 0.22 -0.61 -0.11 0.21 0.00 0.00 0.00 175.76 175.47 1kda s LYS 110 N -2.73 2.24 -0.10 0.00 2.20 -0.58 -4.49 119.74 116.28 1kda s LYS 110 Ca -0.03 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.35 1kda s LYS 110 Cb -0.01 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1kda s LYS 110 CO -0.04 0.54 1.39 0.08 -0.36 0.00 0.00 175.35 176.96 1kda s VAL 111 N -1.08 4.00 0.75 4.02 1.01 -1.26 -0.49 120.40 127.34 1kda s VAL 111 Ca 0.18 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.28 1kda s VAL 111 Cb -0.11 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1kda s VAL 111 CO 0.10 -0.09 1.13 0.00 0.00 0.00 0.00 175.10 176.24 1kda s ALA 112 N 3.40 2.17 0.11 5.51 0.00 0.39 -4.85 121.76 128.49 1kda s ALA 112 Ca 0.61 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1kda s ALA 112 Cb -0.27 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 1kda s ALA 112 CO 0.21 -1.79 1.20 -0.47 0.00 0.00 0.00 175.76 174.91 1kda s TYR 113 N -2.53 3.44 -0.01 0.00 5.04 -1.26 -4.90 117.35 117.12 1kda s TYR 113 Ca 0.66 1.34 -0.07 0.00 -2.44 0.00 0.00 57.07 56.56 1kda s TYR 113 Cb -0.21 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 38.68 1kda s TYR 113 CO 0.50 -1.27 0.15 0.54 -1.34 0.00 0.00 175.55 174.12 1kda s VAL 114 N 0.62 0.06 0.00 3.14 0.11 -1.26 -5.01 120.40 118.07 1kda s VAL 114 Ca 0.57 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1kda s VAL 114 Cb -0.31 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1kda s VAL 114 CO 0.32 -0.28 0.00 0.00 -3.33 0.00 0.00 175.10 171.81 1kda n TYR 115 N 1.85 0.00 -1.29 1.54 4.11 -1.26 -5.12 117.16 117.00 1kda n TYR 115 Ca -0.20 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.41 1kda n TYR 115 Cb 0.56 0.00 0.16 0.00 -0.00 0.00 0.00 39.34 40.07 1kda n TYR 115 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 1kda s ASP 116 N 0.00 2.87 0.00 9.48 -4.77 -1.26 -4.91 116.67 118.08 1kda s ASP 116 Ca 0.00 1.10 0.00 0.00 -3.30 0.00 0.00 52.55 50.35 1kda s ASP 116 Cb 0.00 -1.74 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 1kda s ASP 116 CO 0.00 -2.97 0.97 -0.81 0.70 0.00 0.00 175.17 173.06 1kda n PRO 117 N -4.06 0.00 -2.51 2.11 -0.04 -1.26 -4.17 135.00 125.08 1kda n PRO 117 Ca 0.06 0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 63.55 1kda n PRO 117 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1kda n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kda n ASN 118 N -1.47 4.93 -0.45 3.54 3.02 -1.26 -4.17 115.26 119.40 1kda n ASN 118 Ca 0.00 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1kda n ASN 118 Cb 0.00 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.58 1kda n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1kda n ASN 119 N 5.70 0.00 -0.35 6.41 0.23 -1.26 -4.87 115.26 121.12 1kda n ASN 119 Ca 0.42 -1.88 0.09 0.00 -0.53 0.00 0.00 54.58 52.68 1kda n ASN 119 Cb 0.41 -0.18 0.26 0.00 -2.08 0.00 0.00 39.78 38.19 1kda n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1kda h THR 120 N 6.55 0.84 -0.55 5.53 2.02 -1.96 -2.37 112.91 122.97 1kda h THR 120 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1kda h THR 120 Cb 1.35 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1kda h THR 120 CO 0.00 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.46 1kda n HIS 121 N -4.69 1.57 -0.23 3.16 8.25 -1.26 -4.62 115.22 117.40 1kda n HIS 121 Ca 0.20 -0.69 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 1kda n HIS 121 Cb 0.42 -0.34 0.05 0.00 1.12 0.00 0.00 29.99 31.24 1kda n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1kda h GLU 122 N 3.59 0.81 -0.35 -0.41 4.81 -1.80 -1.38 114.58 119.86 1kda h GLU 122 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1kda h GLU 122 Cb 1.61 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1kda h GLU 122 CO 0.31 0.54 0.15 0.37 -0.73 0.00 0.00 179.01 179.65 1kda h GLN 123 N 0.84 0.52 -0.28 1.92 5.75 -1.82 0.46 115.11 122.50 1kda h GLN 123 Ca 0.25 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1kda h GLN 123 Cb -0.05 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1kda h GLN 123 CO -0.07 0.50 0.12 1.25 -2.65 0.00 0.00 178.83 177.98 1kda h HIS 124 N 0.42 0.22 -0.64 3.99 2.76 -1.82 -1.69 115.15 118.40 1kda h HIS 124 Ca 0.12 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1kda h HIS 124 Cb 0.17 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1kda h HIS 124 CO -0.01 0.11 0.11 -0.07 -1.30 0.00 0.00 177.93 176.77 1kda h LEU 125 N 0.26 0.99 -0.54 0.26 3.38 -1.04 -2.76 115.31 115.86 1kda h LEU 125 Ca 0.12 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1kda h LEU 125 Cb 0.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1kda h LEU 125 CO -0.11 0.99 0.29 -0.09 0.09 0.00 0.00 178.44 179.61 1kda h ARG 126 N 0.98 0.55 -0.53 1.13 9.65 -0.44 -0.22 114.38 125.50 1kda h ARG 126 Ca 0.20 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1kda h ARG 126 Cb 0.42 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1kda h ARG 126 CO 0.01 0.36 0.27 0.87 2.80 0.00 0.00 179.97 184.28 1kda h LYS 127 N 0.56 0.75 -0.40 0.20 1.57 -1.10 -0.92 116.57 117.22 1kda h LYS 127 Ca 0.23 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1kda h LYS 127 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1kda h LYS 127 CO -0.15 0.60 -0.12 0.77 -0.57 0.00 0.00 179.45 179.99 1kda h SER 128 N 0.70 0.71 -0.52 0.86 0.02 -1.19 -1.78 113.55 112.35 1kda h SER 128 Ca 0.18 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1kda h SER 128 Cb 0.09 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1kda h SER 128 CO -0.03 0.85 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.42 1kda h GLU 129 N 0.65 0.96 -0.23 3.45 4.81 -0.71 -0.90 114.58 122.61 1kda h GLU 129 Ca 0.11 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1kda h GLU 129 Cb 0.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1kda h GLU 129 CO 0.04 0.96 0.14 0.00 -0.73 0.00 0.00 179.01 179.41 1kda h ALA 130 N 1.09 0.29 -0.56 2.92 0.00 -0.75 -1.11 119.26 121.15 1kda h ALA 130 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1kda h ALA 130 Cb 0.53 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1kda h ALA 130 CO 0.03 -0.20 0.34 0.37 0.00 0.00 0.00 179.25 179.79 1kda h GLN 131 N 0.28 0.66 -0.81 0.00 5.75 -1.04 -0.68 115.11 119.27 1kda h GLN 131 Ca 0.08 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1kda h GLN 131 Cb 0.03 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 1kda h GLN 131 CO -0.02 0.44 0.47 0.00 -2.65 0.00 0.00 178.83 177.07 1kda h ALA 132 N 1.24 1.30 0.00 3.38 0.00 -0.83 -0.83 119.26 123.52 1kda h ALA 132 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1kda h ALA 132 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1kda h ALA 132 CO -0.09 0.59 -0.51 1.57 0.00 0.00 0.00 179.25 180.80 1kda h LYS 133 N 1.12 0.00 -0.24 0.00 2.10 -0.52 -1.62 116.57 117.42 1kda h LYS 133 Ca 0.29 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.81 1kda h LYS 133 Cb -0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1kda h LYS 133 CO -0.05 0.51 -0.40 -0.22 -2.00 0.00 0.00 179.45 177.29 1kda h LYS 134 N 0.00 0.57 -0.06 0.07 3.64 -0.40 -2.13 116.57 118.26 1kda h LYS 134 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1kda h LYS 134 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1kda h LYS 134 CO 0.07 0.87 0.00 0.39 -2.27 0.00 0.00 179.45 178.51 1kda n GLU 135 N -4.03 1.54 -3.86 1.90 1.02 -0.39 -4.94 120.64 111.88 1kda n GLU 135 Ca -0.02 -0.79 -0.26 0.00 -0.02 0.00 0.00 57.16 56.06 1kda n GLU 135 Cb 0.52 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1kda n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1kda n LYS 136 N -0.02 -4.84 -2.80 3.49 4.76 -0.80 -4.94 118.16 113.01 1kda n LYS 136 Ca 0.18 0.57 -0.41 0.00 -2.87 0.00 0.00 58.31 55.78 1kda n LYS 136 Cb 0.29 -5.21 -0.05 0.00 -1.84 0.00 0.00 35.03 28.22 1kda n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1kda s LEU 137 N -7.00 4.51 0.00 -0.35 1.43 -0.67 -4.03 118.68 112.57 1kda s LEU 137 Ca 0.32 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1kda s LEU 137 Cb -0.16 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1kda s LEU 137 CO 0.84 -0.01 0.00 0.59 0.23 0.00 0.00 176.35 178.00 1kda n ASN 138 N 2.60 0.00 -0.31 2.29 3.02 -1.26 0.03 115.26 121.63 1kda n ASN 138 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.65 1kda n ASN 138 Cb 0.49 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.92 1kda n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1kda h ILE 139 N 0.00 0.68 -0.11 2.41 2.04 -1.61 -2.30 117.51 118.62 1kda h ILE 139 Ca 0.00 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 1kda h ILE 139 Cb 0.00 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 1kda h ILE 139 CO 0.00 0.11 0.07 0.79 0.00 0.00 0.00 178.15 179.12 1kda n TRP 140 N -4.88 0.33 -3.22 1.37 5.03 0.10 -4.82 117.44 111.35 1kda n TRP 140 Ca 0.19 -0.67 -0.43 0.00 3.03 0.00 0.00 57.50 59.62 1kda n TRP 140 Cb 0.50 -0.34 -0.08 0.00 -1.03 0.00 0.00 31.31 30.37 1kda n TRP 140 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 1kda s SER 141 N 0.80 6.26 0.00 -0.99 0.01 -0.87 -4.18 113.70 114.73 1kda s SER 141 Ca 0.06 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1kda s SER 141 Cb 0.05 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1kda s SER 141 CO 0.01 -0.66 0.00 1.21 0.41 0.00 0.00 173.24 174.21