#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kda s GLU 26 N 0.00 1.23 0.43 0.00 0.41 -1.26 -5.02 118.70 114.50 3kda s GLU 26 Ca 0.00 -0.17 0.17 0.00 -0.41 0.00 0.00 54.97 54.56 3kda s GLU 26 Cb 0.00 -1.30 0.98 0.00 -1.78 0.00 0.00 34.13 32.03 3kda s GLU 26 CO 0.00 -0.20 1.93 0.93 -0.49 0.00 0.00 175.26 177.43 3kda h GLU 27 N 7.87 0.00 -4.16 1.61 5.08 -1.99 -3.44 114.58 119.55 3kda h GLU 27 Ca -0.29 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 3kda h GLU 27 Cb 1.14 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.16 3kda h GLU 27 CO 0.39 0.25 -0.72 -0.06 -1.00 0.00 0.00 179.01 177.88 3kda s PHE 28 N -4.30 0.37 0.09 4.33 0.08 -1.26 -5.00 117.98 112.30 3kda s PHE 28 Ca -0.03 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.31 3kda s PHE 28 Cb 0.14 -0.24 -0.08 0.00 -0.57 0.00 0.00 43.02 42.28 3kda s PHE 28 CO 0.68 -0.11 1.45 -2.14 -0.10 0.00 0.00 175.22 174.99 3kda s PRO 29 N -1.16 4.28 0.01 0.24 0.02 -1.26 -4.98 135.00 132.16 3kda s PRO 29 Ca -0.10 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 62.74 3kda s PRO 29 Cb -0.08 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.06 3kda s PRO 29 CO -0.00 -0.52 1.05 0.08 -0.33 0.00 0.00 177.00 177.27 3kda s VAL 30 N 1.57 4.61 0.58 3.83 1.01 -1.26 -5.01 120.40 125.73 3kda s VAL 30 Ca 0.66 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 64.31 3kda s VAL 30 Cb -0.37 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3kda s VAL 30 CO 0.30 0.13 1.34 -2.84 0.00 0.00 0.00 175.10 174.02 3kda s PRO 31 N 1.15 2.94 0.27 2.72 0.02 -1.26 -4.90 135.00 135.94 3kda s PRO 31 Ca 0.54 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.43 3kda s PRO 31 Cb -0.23 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.04 3kda s PRO 31 CO 0.27 -1.33 1.26 -1.71 -0.33 0.00 0.00 177.00 175.17 3kda n ASN 32 N -1.33 2.26 0.00 2.53 4.05 -1.26 -1.60 115.26 119.92 3kda n ASN 32 Ca 0.12 1.17 0.00 0.00 0.45 0.00 0.00 54.58 56.32 3kda n ASN 32 Cb 0.46 -1.39 0.00 0.00 1.23 0.00 0.00 39.78 40.09 3kda n ASN 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3kda n GLY 33 N 1.58 0.78 3.67 8.20 0.00 -1.26 -5.03 105.19 113.13 3kda n GLY 33 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 3kda n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kda s PHE 34 N -2.97 2.77 -0.05 1.61 0.40 -0.62 -4.48 117.98 114.64 3kda s PHE 34 Ca 0.00 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3kda s PHE 34 Cb 0.00 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.27 3kda s PHE 34 CO 0.00 0.59 -0.25 -2.00 0.70 0.00 0.00 175.22 174.26 3kda s GLU 35 N -3.58 2.42 -0.20 0.44 2.12 0.35 -4.86 118.70 115.39 3kda s GLU 35 Ca 0.31 -0.91 -0.14 0.00 0.36 0.00 0.00 54.97 54.59 3kda s GLU 35 Cb -0.07 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 3kda s GLU 35 CO 0.20 0.44 0.30 0.45 -0.54 0.00 0.00 175.26 176.11 3kda s SER 36 N -0.30 6.34 0.32 -1.70 0.15 -1.26 -0.74 113.70 116.50 3kda s SER 36 Ca 0.01 0.39 -0.05 0.00 0.70 0.00 0.00 55.95 57.00 3kda s SER 36 Cb -0.13 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 3kda s SER 36 CO 0.02 0.02 0.47 0.00 1.20 0.00 0.00 173.24 174.95 3kda s ALA 37 N 0.98 0.56 0.04 5.45 0.00 -0.29 -5.01 121.76 123.49 3kda s ALA 37 Ca 0.15 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.75 3kda s ALA 37 Cb -0.14 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.10 3kda s ALA 37 CO 0.05 -0.80 -0.10 0.71 0.00 0.00 0.00 175.76 175.63 3kda s TYR 38 N -3.26 0.88 -0.02 0.00 1.51 -1.26 -1.13 117.35 114.06 3kda s TYR 38 Ca 0.29 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3kda s TYR 38 Cb -0.00 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.35 3kda s TYR 38 CO 0.17 -0.02 0.00 0.50 -1.11 0.00 0.00 175.55 175.10 3kda s ARG 39 N -1.26 0.21 -0.06 -0.62 3.52 -0.05 -4.95 118.95 115.73 3kda s ARG 39 Ca -0.04 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.33 3kda s ARG 39 Cb -0.08 -0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 32.92 3kda s ARG 39 CO 0.01 -0.10 1.13 -2.00 -0.81 0.00 0.00 175.30 173.53 3kda s GLU 40 N 0.78 4.39 -0.13 5.12 2.56 -1.26 -0.91 118.70 129.25 3kda s GLU 40 Ca -0.07 1.57 -0.01 0.00 0.00 0.00 0.00 54.97 56.46 3kda s GLU 40 Cb -0.11 -3.54 0.03 0.00 2.00 0.00 0.00 34.13 32.52 3kda s GLU 40 CO -0.02 -0.38 -0.04 0.08 -0.56 0.00 0.00 175.26 174.35 3kda s VAL 41 N 2.03 0.83 -1.54 3.70 1.01 0.17 -4.80 120.40 121.80 3kda s VAL 41 Ca 0.53 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 3kda s VAL 41 Cb -0.23 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.24 3kda s VAL 41 CO 0.21 0.20 0.61 0.47 0.00 0.00 0.00 175.10 176.60 3kda n ASP 42 N 4.99 -1.91 0.00 3.32 8.00 -1.26 -1.42 116.55 128.27 3kda n ASP 42 Ca -0.11 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3kda n ASP 42 Cb 0.49 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 3kda n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kda n GLY 43 N -1.73 0.59 3.20 0.44 0.00 -1.26 -4.88 105.19 101.55 3kda n GLY 43 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3kda n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kda s VAL 44 N -2.41 2.34 -0.49 1.61 1.01 -0.50 -4.97 120.40 116.98 3kda s VAL 44 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 3kda s VAL 44 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.44 3kda s VAL 44 CO 0.00 0.53 1.04 -0.75 0.00 0.00 0.00 175.10 175.92 3kda s LYS 45 N 0.95 3.59 -0.12 2.72 2.20 -1.26 -0.66 119.74 127.15 3kda s LYS 45 Ca -0.03 0.29 -0.14 0.00 -0.36 0.00 0.00 55.97 55.73 3kda s LYS 45 Cb -0.15 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 3kda s LYS 45 CO -0.04 -1.37 0.31 -0.51 -0.36 0.00 0.00 175.35 173.39 3kda s LEU 46 N 4.20 4.30 0.16 5.43 1.43 -0.09 -1.11 118.68 133.00 3kda s LEU 46 Ca 0.41 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.94 3kda s LEU 46 Cb -0.09 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.65 3kda s LEU 46 CO 0.28 0.16 0.63 -2.28 0.23 0.00 0.00 176.35 175.37 3kda s HIS 47 N 0.07 3.69 0.13 0.29 5.65 -1.26 -0.87 115.29 122.99 3kda s HIS 47 Ca 0.18 1.27 -0.15 0.00 0.25 0.00 0.00 55.06 56.61 3kda s HIS 47 Cb -0.14 -2.52 0.03 0.00 -1.18 0.00 0.00 32.58 28.77 3kda s HIS 47 CO 0.06 0.44 0.37 1.52 -0.65 0.00 0.00 174.74 176.48 3kda s TYR 48 N -1.38 -0.10 -0.08 3.88 1.13 -0.29 -0.86 117.35 119.65 3kda s TYR 48 Ca 0.38 -0.24 0.05 0.00 -1.41 0.00 0.00 57.07 55.85 3kda s TYR 48 Cb -0.17 0.20 -0.01 0.00 -1.10 0.00 0.00 41.96 40.89 3kda s TYR 48 CO 0.20 -0.70 -0.24 0.08 -2.51 0.00 0.00 175.55 172.38 3kda s VAL 49 N -3.83 2.02 0.00 -3.49 1.01 -0.70 -1.14 120.40 114.27 3kda s VAL 49 Ca 0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3kda s VAL 49 Cb 0.02 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3kda s VAL 49 CO -0.10 0.56 0.00 -0.75 0.00 0.00 0.00 175.10 174.81 3kda s LYS 50 N 0.07 0.08 0.01 2.72 2.20 0.08 -0.89 119.74 124.01 3kda s LYS 50 Ca -0.10 -0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.09 3kda s LYS 50 Cb -0.16 0.03 0.10 0.00 -1.51 0.00 0.00 37.83 36.30 3kda s LYS 50 CO 0.06 -0.01 1.06 0.20 -0.36 0.00 0.00 175.35 176.30 3kda s GLY 51 N -0.33 -0.35 0.00 5.54 0.00 -0.52 -0.50 107.32 111.17 3kda s GLY 51 Ca -0.04 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3kda s GLY 51 CO -0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 3kda n GLY 52 N -0.35 -3.47 3.03 0.20 0.00 -1.26 0.10 105.19 103.44 3kda n GLY 52 Ca -0.06 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 3kda n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kda s GLN 53 N -0.70 0.41 0.00 1.61 -0.21 -0.97 -4.55 119.66 115.25 3kda s GLN 53 Ca 0.00 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.67 3kda s GLN 53 Cb 0.00 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.16 3kda s GLN 53 CO 0.00 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 3kda n GLY 54 N 1.24 -0.72 3.68 3.09 0.00 -1.26 -1.97 105.19 109.25 3kda n GLY 54 Ca -0.22 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.28 3kda n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kda n PRO 55 N 0.00 0.68 -2.88 1.61 -0.02 -1.26 -3.07 135.00 130.06 3kda n PRO 55 Ca 0.00 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 3kda n PRO 55 Cb 0.00 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.04 3kda n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kda s LEU 56 N -4.18 4.40 -0.13 2.45 2.96 -1.26 -0.71 118.68 122.22 3kda s LEU 56 Ca 0.77 1.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.21 3kda s LEU 56 Cb -0.35 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.00 3kda s LEU 56 CO 0.46 -0.11 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.48 3kda s VAL 57 N 0.48 1.93 -0.19 1.68 1.01 0.25 -0.48 120.40 125.09 3kda s VAL 57 Ca 0.44 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 3kda s VAL 57 Cb -0.20 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3kda s VAL 57 CO 0.24 0.53 0.07 -0.32 0.00 0.00 0.00 175.10 175.62 3kda s MET 58 N 0.82 4.00 -0.19 2.72 1.75 -0.20 -1.24 119.30 126.97 3kda s MET 58 Ca -0.08 -0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 3kda s MET 58 Cb -0.16 -3.25 -0.01 0.00 2.84 0.00 0.00 34.83 34.25 3kda s MET 58 CO -0.01 0.27 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.06 3kda s LEU 59 N 0.40 2.94 -0.21 4.11 1.43 -0.13 -1.11 118.68 126.11 3kda s LEU 59 Ca 0.04 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3kda s LEU 59 Cb -0.12 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3kda s LEU 59 CO -0.00 0.06 -0.15 -0.69 0.23 0.00 0.00 176.35 175.80 3kda s VAL 60 N 1.00 2.02 1.09 -1.59 1.01 0.49 -3.64 120.40 120.78 3kda s VAL 60 Ca -0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 3kda s VAL 60 Cb -0.15 -1.97 0.24 0.00 0.00 0.00 0.00 36.38 34.50 3kda s VAL 60 CO 0.00 0.29 1.21 -1.38 0.00 0.00 0.00 175.10 175.21 3kda s HIS 61 N 1.25 1.04 0.00 5.22 -3.43 -1.26 -1.31 115.29 116.79 3kda s HIS 61 Ca -0.01 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 3kda s HIS 61 Cb -0.16 -3.75 0.00 0.00 -1.43 0.00 0.00 32.58 27.24 3kda s HIS 61 CO -0.09 -3.29 0.00 0.41 -2.00 0.00 0.00 174.74 169.77 3kda n GLY 62 N -2.25 6.50 3.77 -1.38 0.00 -1.19 -2.74 105.19 107.91 3kda n GLY 62 Ca 0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3kda n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kda s PHE 63 N 0.04 2.90 0.00 1.61 5.36 -1.26 -2.66 117.98 123.96 3kda s PHE 63 Ca 0.00 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 3kda s PHE 63 Cb 0.00 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 3kda s PHE 63 CO 0.00 -2.23 0.00 0.41 -1.46 0.00 0.00 175.22 171.94 3kda n GLY 64 N 0.72 1.44 0.39 13.12 0.00 -1.26 -4.98 105.19 114.63 3kda n GLY 64 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3kda n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kda n GLN 65 N -2.00 0.36 -1.66 1.61 6.02 -1.09 -4.84 117.38 115.78 3kda n GLN 65 Ca 0.00 -0.41 -0.00 0.00 -0.01 0.00 0.00 57.00 56.58 3kda n GLN 65 Cb 0.00 0.29 -0.00 0.00 1.02 0.00 0.00 30.24 31.55 3kda n GLN 65 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kda n THR 66 N -0.09 0.00 -0.23 5.09 -2.24 -1.26 -4.68 114.28 110.87 3kda n THR 66 Ca 0.00 -0.03 0.31 0.00 -2.27 0.00 0.00 64.05 62.06 3kda n THR 66 Cb 0.07 0.02 0.73 0.00 -2.10 0.00 0.00 70.33 69.05 3kda n THR 66 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3kda h TRP 67 N 1.01 0.00 -0.02 4.78 5.08 -1.87 -2.16 115.95 122.78 3kda h TRP 67 Ca -0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.97 3kda h TRP 67 Cb 0.02 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.18 3kda h TRP 67 CO 0.00 0.00 0.04 -0.92 -1.28 0.00 0.00 178.44 176.29 3kda h TYR 68 N 0.00 0.00 -0.00 0.12 3.20 -1.94 -1.26 116.97 117.09 3kda h TYR 68 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.34 3kda h TYR 68 Cb 1.89 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.16 3kda h TYR 68 CO -0.00 0.00 0.01 1.05 -1.64 0.00 0.00 178.16 177.58 3kda h GLU 69 N 0.00 0.00 -0.21 1.82 4.11 -1.80 -0.99 114.58 117.51 3kda h GLU 69 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3kda h GLU 69 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kda h GLU 69 CO -0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.99 3kda n TRP 70 N -3.43 0.27 0.28 2.06 7.02 -0.47 -4.56 117.44 118.60 3kda n TRP 70 Ca -0.03 -0.13 0.14 0.00 -1.02 0.00 0.00 57.50 56.46 3kda n TRP 70 Cb 0.08 0.00 0.79 0.00 -2.42 0.00 0.00 31.31 29.77 3kda n TRP 70 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 3kda h HIS 71 N 3.05 0.00 0.04 -5.99 2.07 -1.32 -0.40 115.15 112.59 3kda h HIS 71 Ca 0.00 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.27 3kda h HIS 71 Cb 0.67 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.62 3kda h HIS 71 CO 0.13 0.08 -1.22 1.96 -3.07 0.00 0.00 177.93 175.82 3kda h GLN 72 N 0.00 0.08 0.03 5.12 4.20 -1.82 -3.34 115.11 119.38 3kda h GLN 72 Ca -0.00 -0.14 -0.24 0.00 0.06 0.00 0.00 58.65 58.33 3kda h GLN 72 Cb 0.25 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.09 3kda h GLN 72 CO 0.01 0.98 -1.01 1.25 -0.67 0.00 0.00 178.83 179.39 3kda h LEU 73 N 0.02 0.55 -0.40 1.46 5.85 -1.66 -3.39 115.31 117.74 3kda h LEU 73 Ca -0.11 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.23 3kda h LEU 73 Cb 1.88 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.67 3kda h LEU 73 CO 0.14 1.28 -0.00 0.24 -0.34 0.00 0.00 178.44 179.75 3kda h MET 74 N 0.22 0.10 -0.55 1.25 2.86 -1.22 -2.06 114.93 115.53 3kda h MET 74 Ca -0.10 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3kda h MET 74 Cb 1.66 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 3kda h MET 74 CO 0.17 0.07 0.20 -1.35 1.06 0.00 0.00 176.91 177.06 3kda h PRO 75 N 0.10 0.79 -0.21 -0.22 0.11 -1.75 0.45 132.00 131.27 3kda h PRO 75 Ca 0.20 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 3kda h PRO 75 Cb 0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3kda h PRO 75 CO -0.33 0.67 -0.09 0.93 -0.21 0.00 0.00 178.00 178.97 3kda h GLU 76 N 0.78 0.43 -0.45 1.05 5.08 -1.68 -2.94 114.58 116.85 3kda h GLU 76 Ca 0.19 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kda h GLU 76 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kda h GLU 76 CO -0.01 0.70 0.08 -0.07 -1.00 0.00 0.00 179.01 178.70 3kda h LEU 77 N 0.13 0.64 -0.48 1.33 3.38 -1.05 -2.80 115.31 116.47 3kda h LEU 77 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kda h LEU 77 Cb 0.56 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kda h LEU 77 CO 0.03 0.66 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3kda n ALA 78 N -2.47 1.38 0.32 1.53 0.00 0.12 -0.95 120.51 120.44 3kda n ALA 78 Ca 0.03 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.66 3kda n ALA 78 Cb 0.23 -1.23 0.49 0.00 0.00 0.00 0.00 19.45 18.93 3kda n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kda h LYS 79 N 0.00 0.00 0.00 0.00 1.57 -1.47 -3.27 116.57 113.40 3kda h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kda h LYS 79 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kda h LYS 79 CO 0.00 0.00 -0.36 0.54 -0.57 0.00 0.00 179.45 179.06 3kda n ARG 80 N -2.86 3.15 -4.08 3.15 1.74 -0.22 -4.57 116.66 112.98 3kda n ARG 80 Ca 0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 3kda n ARG 80 Cb 0.37 -0.60 -0.10 0.00 -1.02 0.00 0.00 32.46 31.10 3kda n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kda s PHE 81 N -0.99 0.53 -0.23 -1.55 0.08 -0.12 0.15 117.98 115.84 3kda s PHE 81 Ca 0.00 -0.90 -0.27 0.00 0.12 0.00 0.00 56.93 55.88 3kda s PHE 81 Cb 0.00 -0.37 0.00 0.00 -0.57 0.00 0.00 43.02 42.09 3kda s PHE 81 CO 0.00 -0.29 0.96 0.99 -0.10 0.00 0.00 175.22 176.78 3kda s THR 82 N -3.20 4.75 -0.17 0.64 2.01 0.11 -2.29 115.64 117.49 3kda s THR 82 Ca 0.02 1.85 -0.05 0.00 0.31 0.00 0.00 61.69 63.82 3kda s THR 82 Cb 0.03 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3kda s THR 82 CO -0.07 -0.13 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.03 3kda s VAL 83 N 2.99 4.05 -0.09 3.82 1.01 0.11 -0.58 120.40 131.72 3kda s VAL 83 Ca 0.41 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.12 3kda s VAL 83 Cb -0.15 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3kda s VAL 83 CO 0.07 0.47 -0.16 -0.51 0.00 0.00 0.00 175.10 174.97 3kda s ILE 84 N 0.52 1.50 -0.34 2.22 2.07 -0.37 -1.43 121.20 125.36 3kda s ILE 84 Ca -0.02 -0.68 0.02 0.00 -1.41 0.00 0.00 60.65 58.57 3kda s ILE 84 Cb -0.14 -1.34 0.10 0.00 0.13 0.00 0.00 42.46 41.21 3kda s ILE 84 CO 0.02 0.44 0.08 0.00 -1.91 0.00 0.00 174.94 173.57 3kda s ALA 85 N 0.65 2.44 0.46 1.50 0.00 -0.07 -0.95 121.76 125.78 3kda s ALA 85 Ca -0.14 -2.27 -0.10 0.00 0.00 0.00 0.00 51.96 49.45 3kda s ALA 85 Cb -0.16 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 3kda s ALA 85 CO 0.04 -1.70 0.83 -1.25 0.00 0.00 0.00 175.76 173.68 3kda s PRO 86 N 1.09 3.72 -0.01 0.00 0.04 -1.24 -1.72 135.00 136.88 3kda s PRO 86 Ca 0.11 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 3kda s PRO 86 Cb -0.19 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3kda s PRO 86 CO -0.13 -0.16 0.77 -0.51 0.04 0.00 0.00 177.00 177.00 3kda s ASP 87 N -3.50 7.15 0.58 6.66 1.01 -0.04 -4.34 116.67 124.19 3kda s ASP 87 Ca 0.52 1.38 -0.20 0.00 0.71 0.00 0.00 52.55 54.95 3kda s ASP 87 Cb -0.10 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3kda s ASP 87 CO 0.37 -0.08 1.23 0.18 0.21 0.00 0.00 175.17 177.08 3kda n LEU 88 N 3.37 5.02 -4.61 1.23 4.77 -1.26 -4.57 117.00 120.94 3kda n LEU 88 Ca -0.01 0.91 -0.52 0.00 -0.03 0.00 0.00 56.01 56.36 3kda n LEU 88 Cb 0.51 -1.51 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 3kda n LEU 88 CO 0.48 -1.04 0.98 -2.65 -1.33 0.00 0.00 177.39 173.83 3kda n PRO 89 N -1.14 1.28 0.00 3.23 -0.02 -1.26 -0.78 135.00 136.30 3kda n PRO 89 Ca 0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kda n PRO 89 Cb 0.46 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3kda n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kda n GLY 90 N 2.81 3.09 3.87 -1.23 0.00 -0.21 -4.62 105.19 108.90 3kda n GLY 90 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3kda n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kda s LEU 91 N 0.00 3.70 0.00 0.99 1.43 0.04 -3.71 118.68 121.12 3kda s LEU 91 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3kda s LEU 91 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3kda s LEU 91 CO 0.00 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.87 3kda n GLY 92 N -1.39 3.21 1.38 -3.19 0.00 -1.26 -1.40 105.19 102.53 3kda n GLY 92 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3kda n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kda n GLN 93 N 14.00 3.82 -3.52 1.61 6.02 -1.26 -4.97 117.38 133.08 3kda n GLN 93 Ca 0.00 -2.92 -0.38 0.00 -0.01 0.00 0.00 57.00 53.69 3kda n GLN 93 Cb 0.00 -1.97 -0.06 0.00 1.02 0.00 0.00 30.24 29.23 3kda n GLN 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kda s SER 94 N -1.25 6.78 0.67 1.08 0.01 -0.49 -4.21 113.70 116.28 3kda s SER 94 Ca 0.47 0.94 -0.16 0.00 1.31 0.00 0.00 55.95 58.51 3kda s SER 94 Cb 0.35 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.35 3kda s SER 94 CO 0.15 0.31 1.18 -1.61 0.41 0.00 0.00 173.24 173.68 3kda s GLU 95 N -1.18 2.59 0.74 12.44 2.02 -0.26 -1.96 118.70 133.09 3kda s GLU 95 Ca 0.25 1.69 -0.15 0.00 0.02 0.00 0.00 54.97 56.77 3kda s GLU 95 Cb -0.16 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.22 3kda s GLU 95 CO 0.14 -1.48 1.25 -2.14 0.02 0.00 0.00 175.26 173.05 3kda s PRO 96 N -3.76 2.00 0.61 0.39 0.02 -1.26 -1.04 135.00 131.96 3kda s PRO 96 Ca 0.73 1.90 -0.18 0.00 0.02 0.00 0.00 61.00 63.48 3kda s PRO 96 Cb -0.27 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3kda s PRO 96 CO 0.40 -1.97 1.16 -1.25 -0.33 0.00 0.00 177.00 175.01 3kda s PRO 97 N -3.81 2.97 -0.04 5.54 0.04 -1.26 -4.73 135.00 133.70 3kda s PRO 97 Ca 0.77 1.66 0.16 0.00 0.04 0.00 0.00 61.00 63.64 3kda s PRO 97 Cb -0.33 -1.95 -0.21 0.00 0.04 0.00 0.00 34.50 32.06 3kda s PRO 97 CO 0.46 -1.17 0.55 1.63 0.04 0.00 0.00 177.00 178.51 3kda n LYS 98 N -1.80 0.65 -0.03 4.56 5.02 -1.26 -4.57 118.16 120.72 3kda n LYS 98 Ca 0.12 0.14 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 3kda n LYS 98 Cb 0.51 -1.70 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3kda n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kda h THR 99 N 0.00 0.00 0.00 -0.18 1.35 -1.94 -3.51 112.91 108.63 3kda h THR 99 Ca -0.28 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3kda h THR 99 Cb 1.82 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3kda h THR 99 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3kda n GLY 100 N 1.82 -1.35 0.69 5.82 0.00 -1.26 -5.04 105.19 105.87 3kda n GLY 100 Ca -0.01 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.09 3kda n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kda n TYR 101 N 0.48 0.21 -1.35 1.61 4.02 -1.26 -4.24 117.16 116.62 3kda n TYR 101 Ca 0.00 -0.17 -0.32 0.00 -0.01 0.00 0.00 57.90 57.40 3kda n TYR 101 Cb 0.00 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.40 3kda n TYR 101 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kda s SER 102 N -1.17 4.35 0.23 7.72 1.04 -1.26 -4.68 113.70 119.93 3kda s SER 102 Ca 0.22 2.06 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 3kda s SER 102 Cb 0.14 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.97 3kda s SER 102 CO 0.20 -2.14 1.88 1.23 0.98 0.00 0.00 173.24 175.38 3kda h GLY 103 N -0.72 1.25 1.04 7.32 0.00 -1.86 -0.93 103.07 109.18 3kda h GLY 103 Ca -0.45 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.40 3kda h GLY 103 CO 0.50 0.36 0.20 -2.09 0.00 0.00 0.00 176.54 175.52 3kda h GLU 104 N 1.08 1.08 -0.20 4.80 4.81 -1.91 -0.02 114.58 124.22 3kda h GLU 104 Ca 0.34 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3kda h GLU 104 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3kda h GLU 104 CO -0.11 0.94 -0.04 1.96 -0.73 0.00 0.00 179.01 181.02 3kda h GLN 105 N 1.01 0.37 -0.17 1.92 4.20 -1.71 -3.12 115.11 117.61 3kda h GLN 105 Ca 0.22 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 3kda h GLN 105 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3kda h GLN 105 CO -0.00 0.62 -0.42 0.28 -0.67 0.00 0.00 178.83 178.64 3kda h VAL 106 N 0.10 1.31 -0.18 -0.54 2.07 -1.09 -2.94 116.25 114.98 3kda h VAL 106 Ca 0.05 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3kda h VAL 106 Cb 0.48 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3kda h VAL 106 CO 0.02 0.48 0.12 0.00 0.02 0.00 0.00 177.57 178.21 3kda h ALA 107 N 1.22 1.91 -0.47 1.67 0.00 -0.90 -1.39 119.26 121.30 3kda h ALA 107 Ca 0.03 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kda h ALA 107 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3kda h ALA 107 CO 0.07 0.07 0.29 0.28 0.00 0.00 0.00 179.25 179.97 3kda h VAL 108 N 0.21 1.07 -0.61 0.00 2.07 -1.46 0.11 116.25 117.65 3kda h VAL 108 Ca 0.07 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kda h VAL 108 Cb 0.03 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3kda h VAL 108 CO -0.01 0.11 0.31 1.88 0.02 0.00 0.00 177.57 179.88 3kda h TYR 109 N 0.59 0.86 -0.22 1.57 0.05 -1.36 -1.38 116.97 117.07 3kda h TYR 109 Ca 0.18 -0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.74 3kda h TYR 109 Cb -0.01 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.46 3kda h TYR 109 CO -0.06 0.63 -0.63 -0.07 -1.05 0.00 0.00 178.16 176.99 3kda h LEU 110 N 0.83 0.88 -0.31 3.88 3.38 -1.24 -1.07 115.31 121.66 3kda h LEU 110 Ca 0.21 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3kda h LEU 110 Cb 0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kda h LEU 110 CO -0.03 1.30 0.13 -0.74 0.09 0.00 0.00 178.44 179.18 3kda h HIS 111 N 0.57 0.47 -0.65 1.13 2.76 -0.68 -1.50 115.15 117.26 3kda h HIS 111 Ca -0.01 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 3kda h HIS 111 Cb 1.23 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 30.02 3kda h HIS 111 CO 0.07 0.45 0.24 0.87 -1.30 0.00 0.00 177.93 178.26 3kda h LYS 112 N 0.36 1.00 0.04 5.26 1.57 -1.20 -0.93 116.57 122.67 3kda h LYS 112 Ca 0.11 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3kda h LYS 112 Cb 0.17 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3kda h LYS 112 CO -0.01 0.85 -0.14 1.25 -0.57 0.00 0.00 179.45 180.83 3kda h LEU 113 N 0.93 -0.41 -0.74 2.94 5.85 -1.02 -1.68 115.31 121.18 3kda h LEU 113 Ca 0.21 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.01 3kda h LEU 113 Cb 0.25 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3kda h LEU 113 CO -0.01 -0.21 0.48 0.00 -0.34 0.00 0.00 178.44 178.36 3kda h ALA 114 N 0.65 0.96 0.00 1.25 0.00 -1.00 -2.36 119.26 118.77 3kda h ALA 114 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kda h ALA 114 Cb 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kda h ALA 114 CO -0.11 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3kda h ARG 115 N 0.95 0.00 -0.08 0.00 2.47 -0.84 -0.21 114.38 116.67 3kda h ARG 115 Ca 0.29 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.95 3kda h ARG 115 Cb -0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3kda h ARG 115 CO -0.09 0.00 -0.23 1.96 0.56 0.00 0.00 179.97 182.17 3kda h GLN 116 N 0.00 0.14 0.00 0.04 1.08 -0.75 -1.62 115.11 114.01 3kda h GLN 116 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3kda h GLN 116 Cb 0.52 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3kda h GLN 116 CO 0.00 0.37 -1.39 1.19 -0.95 0.00 0.00 178.83 178.05 3kda n PHE 117 N -4.21 0.00 -3.20 2.96 3.72 -0.63 -4.54 117.46 111.56 3kda n PHE 117 Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.16 3kda n PHE 117 Cb 0.32 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3kda n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kda n SER 118 N -1.81 0.86 0.22 4.37 2.88 -0.18 -4.96 113.62 115.00 3kda n SER 118 Ca 0.00 -2.90 0.10 0.00 -1.33 0.00 0.00 58.87 54.75 3kda n SER 118 Cb 0.41 -0.63 0.43 0.00 -0.75 0.00 0.00 64.21 63.67 3kda n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kda h PRO 119 N 3.63 0.00 0.00 -1.46 0.13 -1.53 -3.33 132.00 129.44 3kda h PRO 119 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3kda h PRO 119 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3kda h PRO 119 CO 0.52 0.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.24 3kda n ASP 120 N -3.32 1.51 -3.99 1.44 8.00 -1.26 -5.02 116.55 113.92 3kda n ASP 120 Ca 0.01 -1.58 -0.09 0.00 0.71 0.00 0.00 54.79 53.84 3kda n ASP 120 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.44 3kda n ASP 120 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kda s ARG 121 N -0.58 0.46 0.77 -1.24 1.81 -1.25 -5.15 118.95 113.77 3kda s ARG 121 Ca 0.00 -0.77 -0.11 0.00 -1.72 0.00 0.00 55.73 53.13 3kda s ARG 121 Cb 0.00 0.17 0.06 0.00 -0.45 0.00 0.00 34.95 34.73 3kda s ARG 121 CO 0.00 -0.09 1.11 -2.14 -0.68 0.00 0.00 175.30 173.50 3kda s PRO 122 N -2.29 2.14 0.26 3.54 0.02 -1.26 -4.85 135.00 132.56 3kda s PRO 122 Ca -0.08 1.30 0.05 0.00 0.02 0.00 0.00 61.00 62.30 3kda s PRO 122 Cb -0.04 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3kda s PRO 122 CO -0.04 -1.75 -0.04 -0.59 -0.33 0.00 0.00 177.00 174.25 3kda s PHE 123 N -2.71 1.80 0.21 6.54 -0.12 0.39 -4.68 117.98 119.40 3kda s PHE 123 Ca 0.64 -0.78 -0.02 0.00 -0.05 0.00 0.00 56.93 56.72 3kda s PHE 123 Cb -0.19 -1.03 -0.05 0.00 -0.63 0.00 0.00 43.02 41.12 3kda s PHE 123 CO 0.53 0.16 0.43 -0.51 -0.05 0.00 0.00 175.22 175.78 3kda s ASP 124 N -3.39 6.42 -0.04 1.98 1.01 0.37 -0.99 116.67 122.03 3kda s ASP 124 Ca 0.29 0.51 0.02 0.00 0.71 0.00 0.00 52.55 54.07 3kda s ASP 124 Cb 0.04 -2.06 0.02 0.00 1.01 0.00 0.00 42.92 41.93 3kda s ASP 124 CO 0.10 -0.06 -0.07 -0.22 0.21 0.00 0.00 175.17 175.14 3kda s LEU 125 N -3.25 1.51 -0.08 1.23 2.96 -0.71 -1.03 118.68 119.32 3kda s LEU 125 Ca 0.40 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3kda s LEU 125 Cb -0.11 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.06 3kda s LEU 125 CO 0.28 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.44 3kda s VAL 126 N 0.67 1.54 0.01 1.68 1.01 -0.27 -0.31 120.40 124.73 3kda s VAL 126 Ca -0.10 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3kda s VAL 126 Cb -0.13 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3kda s VAL 126 CO 0.01 0.44 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 3kda s ALA 127 N 0.56 0.06 -0.04 5.51 0.00 -0.17 -0.38 121.76 127.29 3kda s ALA 127 Ca -0.16 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3kda s ALA 127 Cb -0.17 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3kda s ALA 127 CO 0.05 -0.11 -0.14 -1.58 0.00 0.00 0.00 175.76 173.98 3kda s HIS 128 N -0.97 1.49 0.00 0.00 2.46 -0.42 -1.19 115.29 116.65 3kda s HIS 128 Ca -0.11 -0.44 0.00 0.00 0.47 0.00 0.00 55.06 54.99 3kda s HIS 128 Cb -0.07 -1.02 0.00 0.00 -0.13 0.00 0.00 32.58 31.36 3kda s HIS 128 CO -0.01 -0.17 0.00 -3.47 -2.47 0.00 0.00 174.74 168.63 3kda n ASP 129 N 3.29 0.00 0.00 9.88 -0.08 -0.70 -0.90 116.55 128.04 3kda n ASP 129 Ca -0.19 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.14 3kda n ASP 129 Cb 0.53 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.21 3kda n ASP 129 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3kda n ILE 130 N 0.00 1.22 0.16 5.18 -5.35 -1.26 -0.86 119.36 118.45 3kda n ILE 130 Ca 0.00 0.31 0.10 0.00 -0.27 0.00 0.00 62.75 62.89 3kda n ILE 130 Cb 0.00 -1.14 0.62 0.00 -1.74 0.00 0.00 39.64 37.38 3kda n ILE 130 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kda h GLY 131 N 1.69 0.10 0.76 3.28 0.00 -0.82 -1.33 103.07 106.74 3kda h GLY 131 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3kda h GLY 131 CO 0.00 0.03 0.01 -2.22 0.00 0.00 0.00 176.54 174.35 3kda h ILE 132 N 0.09 1.24 -0.92 2.60 2.04 -1.14 -2.79 117.51 118.63 3kda h ILE 132 Ca 0.08 -0.74 0.10 0.00 1.00 0.00 0.00 64.86 65.30 3kda h ILE 132 Cb 0.22 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 3kda h ILE 132 CO -0.01 0.21 0.59 -0.50 0.00 0.00 0.00 178.15 178.44 3kda h TRP 133 N -0.12 1.00 -0.14 1.37 4.06 -1.45 -0.92 115.95 119.76 3kda h TRP 133 Ca 0.03 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.00 3kda h TRP 133 Cb 0.32 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3kda h TRP 133 CO 0.03 0.46 0.00 0.09 -3.56 0.00 0.00 178.44 175.45 3kda n ASN 134 N -4.54 1.60 0.00 -3.49 3.02 -0.58 -4.10 115.26 107.17 3kda n ASN 134 Ca 0.16 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 3kda n ASN 134 Cb 0.30 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3kda n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kda n THR 135 N 0.27 0.00 -0.19 3.41 -2.24 -0.88 -3.02 114.28 111.64 3kda n THR 135 Ca 0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3kda n THR 135 Cb 0.33 -0.55 0.07 0.00 -2.10 0.00 0.00 70.33 68.08 3kda n THR 135 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kda h TYR 136 N 0.00 -0.15 -0.84 4.78 3.20 -1.34 -1.27 116.97 121.35 3kda h TYR 136 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3kda h TYR 136 Cb 0.60 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 3kda h TYR 136 CO 0.00 -0.19 0.56 -1.35 -1.64 0.00 0.00 178.16 175.53 3kda h PRO 137 N 0.06 1.06 0.00 1.82 0.11 -1.84 -1.27 132.00 131.94 3kda h PRO 137 Ca 0.29 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 3kda h PRO 137 Cb 0.46 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3kda h PRO 137 CO -0.54 0.70 -0.39 0.00 -0.21 0.00 0.00 178.00 177.57 3kda h MET 138 N 1.09 0.00 -0.10 1.05 -0.00 -1.57 -1.68 114.93 113.72 3kda h MET 138 Ca 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.98 3kda h MET 138 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.55 3kda h MET 138 CO -0.08 0.39 -0.10 0.28 -0.00 0.00 0.00 176.91 177.39 3kda h VAL 139 N 0.00 1.36 0.00 -0.10 2.07 -0.54 -1.87 116.25 117.16 3kda h VAL 139 Ca -0.00 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.16 3kda h VAL 139 Cb 0.97 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3kda h VAL 139 CO 0.05 0.36 -0.50 1.62 0.02 0.00 0.00 177.57 179.12 3kda h VAL 140 N -0.15 1.25 0.00 2.57 3.04 -1.22 -2.52 116.25 119.22 3kda h VAL 140 Ca 0.02 -1.77 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 3kda h VAL 140 Cb 0.62 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 3kda h VAL 140 CO 0.03 0.49 -0.32 0.29 -1.01 0.00 0.00 177.57 177.04 3kda n LYS 141 N -3.78 0.21 -2.82 4.17 5.02 -0.64 -4.28 118.16 116.05 3kda n LYS 141 Ca -0.01 0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 3kda n LYS 141 Cb 0.54 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3kda n LYS 141 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kda n ASN 142 N -2.02 1.29 -0.13 4.39 3.02 -0.71 -4.97 115.26 116.14 3kda n ASN 142 Ca 0.05 -2.81 0.09 0.00 -0.03 0.00 0.00 54.58 51.88 3kda n ASN 142 Cb 0.41 -0.56 0.43 0.00 -0.61 0.00 0.00 39.78 39.45 3kda n ASN 142 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kda h GLN 143 N 3.00 0.56 0.00 3.52 4.20 -1.64 0.20 115.11 124.96 3kda h GLN 143 Ca -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3kda h GLN 143 Cb 1.11 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 3kda h GLN 143 CO 0.50 0.37 -0.02 0.00 -0.67 0.00 0.00 178.83 179.02 3kda h ALA 144 N 1.66 1.03 0.00 3.87 0.00 -1.93 -2.27 119.26 121.62 3kda h ALA 144 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kda h ALA 144 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kda h ALA 144 CO -0.09 0.02 -0.17 -0.25 0.00 0.00 0.00 179.25 178.76 3kda n ASP 145 N -3.15 0.31 -4.16 0.00 8.00 0.06 -4.55 116.55 113.06 3kda n ASP 145 Ca -0.01 0.31 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 3kda n ASP 145 Cb 0.21 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.86 3kda n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kda s ILE 146 N -3.03 3.13 -0.03 0.53 -1.09 -0.85 -0.46 121.20 119.39 3kda s ILE 146 Ca 0.12 -1.59 -0.25 0.00 -2.23 0.00 0.00 60.65 56.70 3kda s ILE 146 Cb 0.17 -2.92 -0.19 0.00 -1.58 0.00 0.00 42.46 37.94 3kda s ILE 146 CO 0.60 -0.30 1.12 0.00 -1.23 0.00 0.00 174.94 175.13 3kda h ALA 147 N 8.02 -0.11 -2.60 9.38 0.00 -1.34 -3.46 119.26 129.15 3kda h ALA 147 Ca -0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3kda h ALA 147 Cb 1.06 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 3kda h ALA 147 CO 0.59 -0.29 -0.44 1.03 0.00 0.00 0.00 179.25 180.13 3kda s ARG 148 N -3.95 0.64 -0.03 0.00 0.52 -1.26 -4.13 118.95 110.75 3kda s ARG 148 Ca -0.15 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 3kda s ARG 148 Cb 0.01 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.76 3kda s ARG 148 CO 0.61 -0.17 -0.03 -1.17 0.02 0.00 0.00 175.30 174.55 3kda s LEU 149 N -2.00 1.48 -0.14 2.53 2.96 -0.67 -1.73 118.68 121.11 3kda s LEU 149 Ca -0.06 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3kda s LEU 149 Cb -0.02 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.40 3kda s LEU 149 CO -0.03 -0.04 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.13 3kda s VAL 150 N 0.63 1.53 -0.06 1.68 1.01 0.57 -0.90 120.40 124.86 3kda s VAL 150 Ca -0.07 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3kda s VAL 150 Cb -0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3kda s VAL 150 CO -0.01 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 3kda s TYR 151 N 1.39 2.57 -0.01 5.22 2.02 -0.45 -1.00 117.35 127.08 3kda s TYR 151 Ca 0.02 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3kda s TYR 151 Cb -0.13 -1.63 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3kda s TYR 151 CO -0.09 -0.05 0.02 0.00 -1.57 0.00 0.00 175.55 173.87 3kda s MET 152 N -0.35 0.01 -1.11 -0.62 0.23 -0.33 -1.51 119.30 115.63 3kda s MET 152 Ca 0.02 0.07 -0.05 0.00 -1.03 0.00 0.00 55.69 54.70 3kda s MET 152 Cb -0.12 -0.05 -0.04 0.00 -1.53 0.00 0.00 34.83 33.08 3kda s MET 152 CO 0.02 -0.04 0.92 0.39 -2.03 0.00 0.00 175.02 174.28 3kda n GLU 153 N 3.35 -3.41 0.00 3.16 -0.58 -0.93 -1.72 120.64 120.52 3kda n GLU 153 Ca -0.16 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 3kda n GLU 153 Cb 0.57 -5.70 0.00 0.00 -0.57 0.00 0.00 31.44 25.75 3kda n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kda n ALA 154 N -3.57 0.00 -1.77 0.62 0.00 -1.26 -2.93 120.51 111.60 3kda n ALA 154 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 3kda n ALA 154 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 3kda n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kda s PRO 155 N -2.00 4.21 0.27 0.00 0.04 -1.26 -4.92 135.00 131.35 3kda s PRO 155 Ca 0.00 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3kda s PRO 155 Cb 0.00 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 3kda s PRO 155 CO 0.00 -0.17 1.47 0.42 0.04 0.00 0.00 177.00 178.76 3kda s ILE 156 N -1.39 2.49 -0.21 0.56 1.01 -1.26 -4.76 121.20 117.63 3kda s ILE 156 Ca 0.54 0.42 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 3kda s ILE 156 Cb -0.30 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3kda s ILE 156 CO 0.38 0.07 1.93 -2.84 0.00 0.00 0.00 174.94 174.48 3kda s PRO 157 N -0.64 3.47 0.27 2.79 0.02 -1.26 -4.86 135.00 134.80 3kda s PRO 157 Ca 0.59 1.86 -0.08 0.00 0.02 0.00 0.00 61.00 63.39 3kda s PRO 157 Cb -0.43 -4.22 0.03 0.00 0.02 0.00 0.00 34.50 29.90 3kda s PRO 157 CO 0.46 -1.70 0.51 -0.40 -0.33 0.00 0.00 177.00 175.55 3kda n ASP 158 N 10.01 -1.48 0.22 2.53 5.68 -1.26 -4.35 116.55 127.90 3kda n ASP 158 Ca 0.24 -2.16 0.15 0.00 -0.50 0.00 0.00 54.79 52.52 3kda n ASP 158 Cb 0.45 2.50 0.77 0.00 -1.14 0.00 0.00 41.12 43.70 3kda n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kda h ALA 159 N 1.97 1.00 -0.13 2.12 0.00 -1.91 -1.66 119.26 120.66 3kda h ALA 159 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3kda h ALA 159 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kda h ALA 159 CO 0.29 0.00 0.10 0.00 0.00 0.00 0.00 179.25 179.64 3kda h ARG 160 N 0.00 0.00 0.00 0.00 3.08 -1.96 -2.00 114.38 113.50 3kda h ARG 160 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kda h ARG 160 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kda h ARG 160 CO 0.00 0.00 -0.06 -0.84 -1.07 0.00 0.00 179.97 178.00 3kda h ILE 161 N 0.00 0.25 0.00 2.04 3.07 -1.63 -1.30 117.51 119.94 3kda h ILE 161 Ca 0.06 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3kda h ILE 161 Cb 0.26 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 3kda h ILE 161 CO -0.00 0.06 0.00 -1.22 -1.05 0.00 0.00 178.15 175.94 3kda n TYR 162 N -3.31 0.00 0.90 0.16 4.01 -0.75 -3.29 117.16 114.87 3kda n TYR 162 Ca -0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.83 3kda n TYR 162 Cb 0.23 -0.10 -0.10 0.00 -0.31 0.00 0.00 39.34 39.06 3kda n TYR 162 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kda n ARG 163 N -1.10 0.07 -2.22 -0.72 1.74 -0.49 -4.94 116.66 109.00 3kda n ARG 163 Ca 0.20 -0.02 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 3kda n ARG 163 Cb 0.15 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 3kda n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kda s PHE 164 N -3.05 3.09 0.43 -1.55 0.08 -1.21 -4.99 117.98 110.78 3kda s PHE 164 Ca 0.07 1.51 -0.20 0.00 0.12 0.00 0.00 56.93 58.43 3kda s PHE 164 Cb 0.16 -3.51 -0.10 0.00 -0.57 0.00 0.00 43.02 38.99 3kda s PHE 164 CO 0.86 -1.50 0.93 -1.25 -0.10 0.00 0.00 175.22 174.15 3kda s PRO 165 N -2.01 4.16 0.45 0.24 0.04 -1.26 -4.97 135.00 131.64 3kda s PRO 165 Ca 0.53 1.03 0.25 0.00 0.04 0.00 0.00 61.00 62.85 3kda s PRO 165 Cb -0.35 -2.21 0.62 0.00 0.04 0.00 0.00 34.50 32.60 3kda s PRO 165 CO 0.45 -0.04 1.70 0.00 0.04 0.00 0.00 177.00 179.16 3kda h ALA 166 N 1.81 0.96 -2.01 8.56 0.00 -1.97 -3.42 119.26 123.19 3kda h ALA 166 Ca -0.49 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3kda h ALA 166 Cb 1.18 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 3kda h ALA 166 CO 0.62 0.10 0.17 0.12 0.00 0.00 0.00 179.25 180.26 3kda s PHE 167 N -3.34 -0.66 0.23 0.00 5.36 -1.26 -4.33 117.98 113.99 3kda s PHE 167 Ca 0.05 1.18 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 3kda s PHE 167 Cb 0.07 0.39 -0.05 0.00 -0.34 0.00 0.00 43.02 43.09 3kda s PHE 167 CO 0.64 -0.59 0.02 0.95 -1.46 0.00 0.00 175.22 174.79 3kda s THR 168 N -1.06 0.90 -0.75 0.12 -4.23 -0.57 -4.90 115.64 105.15 3kda s THR 168 Ca -0.10 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3kda s THR 168 Cb -0.01 -2.39 0.11 0.00 1.34 0.00 0.00 72.50 71.55 3kda s THR 168 CO 0.09 -0.27 1.35 0.00 -0.54 0.00 0.00 174.62 175.26 3kda n ALA 169 N -0.42 1.26 -2.07 3.99 0.00 -1.26 -1.17 120.51 120.85 3kda n ALA 169 Ca -0.04 0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 3kda n ALA 169 Cb 0.64 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.94 3kda n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kda n GLN 170 N -1.77 3.21 0.00 0.00 6.02 -1.26 -5.09 117.38 118.50 3kda n GLN 170 Ca 0.01 -4.02 0.00 0.00 -0.01 0.00 0.00 57.00 52.98 3kda n GLN 170 Cb 0.08 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.07 3kda n GLN 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kda n GLY 171 N -0.62 1.37 3.77 1.08 0.00 -0.31 -4.87 105.19 105.61 3kda n GLY 171 Ca 0.47 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3kda n GLY 171 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kda n GLU 172 N 11.05 2.47 -2.33 1.61 0.28 -1.26 -1.52 120.64 130.94 3kda n GLU 172 Ca 0.00 0.87 -0.25 0.00 -0.16 0.00 0.00 57.16 57.62 3kda n GLU 172 Cb 0.00 -2.63 0.10 0.00 1.43 0.00 0.00 31.44 30.34 3kda n GLU 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kda s SER 173 N -0.28 4.39 0.14 -1.84 1.04 -1.26 -4.76 113.70 111.13 3kda s SER 173 Ca 0.57 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 56.96 3kda s SER 173 Cb -0.47 -0.56 0.00 0.00 0.10 0.00 0.00 66.02 65.10 3kda s SER 173 CO 0.61 -1.85 1.58 -0.07 0.98 0.00 0.00 173.24 174.49 3kda h LEU 174 N -0.69 0.84 -2.90 2.42 3.38 -1.94 -3.36 115.31 113.06 3kda h LEU 174 Ca -0.41 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 3kda h LEU 174 Cb 1.28 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 3kda h LEU 174 CO 0.48 0.96 -0.48 1.33 0.09 0.00 0.00 178.44 180.83 3kda n VAL 175 N -4.32 1.49 0.21 1.22 0.24 -1.26 -4.67 118.33 111.23 3kda n VAL 175 Ca 0.00 -2.26 0.13 0.00 -2.04 0.00 0.00 64.34 60.18 3kda n VAL 175 Cb 0.33 0.07 0.74 0.00 -1.47 0.00 0.00 33.84 33.52 3kda n VAL 175 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3kda h TRP 176 N 0.65 0.00 0.00 6.34 5.08 -1.82 -0.59 115.95 125.62 3kda h TRP 176 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.93 3kda h TRP 176 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3kda h TRP 176 CO 0.40 0.00 0.00 1.12 -1.28 0.00 0.00 178.44 178.68 3kda h HIS 177 N 0.00 0.00 -0.46 0.12 2.07 -1.89 -1.91 115.15 113.08 3kda h HIS 177 Ca 0.06 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.65 3kda h HIS 177 Cb 0.28 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.20 3kda h HIS 177 CO 0.00 0.00 0.14 0.74 -3.07 0.00 0.00 177.93 175.74 3kda h PHE 178 N 0.00 0.24 -0.28 6.12 -1.00 -1.47 0.14 116.94 120.70 3kda h PHE 178 Ca 0.00 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 3kda h PHE 178 Cb 0.08 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3kda h PHE 178 CO 0.00 0.07 -0.19 0.77 -1.61 0.00 0.00 178.31 177.35 3kda h SER 179 N 0.30 0.65 -0.15 2.17 0.02 -1.53 -1.43 113.55 113.58 3kda h SER 179 Ca 0.22 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3kda h SER 179 Cb 0.24 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3kda h SER 179 CO -0.24 0.95 0.03 0.15 -1.14 0.00 0.00 176.83 176.59 3kda h PHE 180 N 0.36 0.06 -0.03 3.45 3.57 -1.38 -0.78 116.94 122.19 3kda h PHE 180 Ca 0.05 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3kda h PHE 180 Cb 0.74 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3kda h PHE 180 CO 0.07 0.03 -0.57 0.74 -2.23 0.00 0.00 178.31 176.34 3kda h PHE 181 N 0.10 0.10 0.00 0.41 0.04 -0.74 -3.01 116.94 113.84 3kda h PHE 181 Ca 0.07 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3kda h PHE 181 Cb 0.05 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3kda h PHE 181 CO -0.12 0.63 -0.18 0.00 -0.60 0.00 0.00 178.31 178.04 3kda n ALA 182 N -2.44 2.53 -1.72 2.45 0.00 -0.54 -4.51 120.51 116.28 3kda n ALA 182 Ca -0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3kda n ALA 182 Cb 0.58 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.70 3kda n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kda n ALA 183 N -1.72 1.29 -1.42 0.00 0.00 -0.32 -4.76 120.51 113.58 3kda n ALA 183 Ca 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 3kda n ALA 183 Cb 0.41 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.57 3kda n ALA 183 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kda n ASP 184 N -1.04 0.05 -0.69 0.00 5.68 -1.26 -4.20 116.55 115.08 3kda n ASP 184 Ca 0.12 -1.08 -0.09 0.00 -0.50 0.00 0.00 54.79 53.24 3kda n ASP 184 Cb 0.45 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3kda n ASP 184 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kda n ASP 185 N -3.07 -4.64 -4.05 -1.12 8.00 -1.26 -2.37 116.55 108.03 3kda n ASP 185 Ca 0.02 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.43 3kda n ASP 185 Cb 0.07 -2.94 -0.01 0.00 -0.02 0.00 0.00 41.12 38.23 3kda n ASP 185 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kda n ARG 186 N -2.00 -3.98 0.01 -1.24 5.12 -1.26 -4.86 116.66 108.45 3kda n ARG 186 Ca -0.09 0.46 -0.10 0.00 -1.93 0.00 0.00 57.85 56.19 3kda n ARG 186 Cb 0.39 -5.10 -0.03 0.00 -1.16 0.00 0.00 32.46 26.55 3kda n ARG 186 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kda h LEU 187 N -1.76 -0.48 -0.18 0.55 5.85 -1.64 -0.77 115.31 116.89 3kda h LEU 187 Ca -0.60 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3kda h LEU 187 Cb 1.38 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.62 3kda h LEU 187 CO 0.71 -0.20 0.05 0.00 -0.34 0.00 0.00 178.44 178.66 3kda h ALA 188 N 0.82 0.23 -0.94 1.25 0.00 -1.85 -1.58 119.26 117.19 3kda h ALA 188 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kda h ALA 188 Cb 0.33 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3kda h ALA 188 CO -0.22 -0.14 0.56 0.93 0.00 0.00 0.00 179.25 180.37 3kda h GLU 189 N 0.11 1.29 -0.69 0.00 3.07 -1.90 -0.16 114.58 116.29 3kda h GLU 189 Ca 0.06 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3kda h GLU 189 Cb 0.23 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3kda h GLU 189 CO -0.00 0.91 0.14 1.15 -1.40 0.00 0.00 179.01 179.81 3kda h THR 190 N 1.31 1.26 0.06 1.13 2.02 -0.91 -0.31 112.91 117.47 3kda h THR 190 Ca 0.34 -1.01 -0.24 0.00 0.77 0.00 0.00 66.41 66.27 3kda h THR 190 Cb -0.04 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3kda h THR 190 CO -0.06 0.39 -1.06 -0.07 0.37 0.00 0.00 175.52 175.08 3kda h LEU 191 N 1.06 0.35 0.00 2.58 3.38 -1.10 -3.37 115.31 118.22 3kda h LEU 191 Ca 0.21 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 3kda h LEU 191 Cb 0.41 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3kda h LEU 191 CO 0.01 1.20 -1.50 -0.38 0.09 0.00 0.00 178.44 177.85 3kda n ILE 192 N -3.58 1.17 -1.70 1.22 5.41 -0.09 -4.75 119.36 117.03 3kda n ILE 192 Ca -0.06 -0.70 -0.44 0.00 1.00 0.00 0.00 62.75 62.56 3kda n ILE 192 Cb 0.92 -0.71 -0.03 0.00 -0.71 0.00 0.00 39.64 39.12 3kda n ILE 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kda n ALA 193 N -2.42 1.98 0.00 -1.39 0.00 -0.14 -0.40 120.51 118.14 3kda n ALA 193 Ca -0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3kda n ALA 193 Cb 0.86 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3kda n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kda n GLY 194 N 2.91 2.14 0.92 0.00 0.00 -1.26 -4.80 105.19 105.09 3kda n GLY 194 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3kda n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kda n LYS 195 N -2.00 0.72 -0.19 1.61 5.02 0.46 -4.88 118.16 118.90 3kda n LYS 195 Ca 0.00 -2.44 -0.07 0.00 -2.02 0.00 0.00 58.31 53.78 3kda n LYS 195 Cb 0.00 -0.80 0.07 0.00 -0.02 0.00 0.00 35.03 34.28 3kda n LYS 195 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kda h GLU 196 N 0.80 1.00 -0.38 1.97 3.07 -1.79 -0.68 114.58 118.58 3kda h GLU 196 Ca -0.10 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.36 58.33 3kda h GLU 196 Cb 1.42 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3kda h GLU 196 CO 0.04 0.96 -0.35 -0.09 -1.40 0.00 0.00 179.01 178.17 3kda h ARG 197 N 0.93 0.90 -0.17 2.33 9.65 -1.89 -0.42 114.38 125.71 3kda h ARG 197 Ca 0.18 -0.47 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3kda h ARG 197 Cb 0.49 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3kda h ARG 197 CO 0.02 1.12 0.09 0.35 2.80 0.00 0.00 179.97 184.35 3kda h PHE 198 N 0.71 0.24 -0.42 2.20 3.57 -1.91 -2.63 116.94 118.71 3kda h PHE 198 Ca 0.06 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3kda h PHE 198 Cb 0.94 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3kda h PHE 198 CO 0.06 0.23 0.10 0.35 -2.23 0.00 0.00 178.31 176.82 3kda h PHE 199 N 0.18 0.71 -0.51 0.41 3.57 -0.97 -2.46 116.94 117.87 3kda h PHE 199 Ca 0.06 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3kda h PHE 199 Cb 0.07 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3kda h PHE 199 CO -0.04 0.67 0.05 1.25 -2.23 0.00 0.00 178.31 178.01 3kda h LEU 200 N 0.54 0.78 -0.47 0.59 5.85 -1.08 0.15 115.31 121.67 3kda h LEU 200 Ca 0.13 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3kda h LEU 200 Cb 0.32 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3kda h LEU 200 CO 0.00 0.82 0.20 -0.08 -0.34 0.00 0.00 178.44 179.04 3kda h GLU 201 N 0.77 0.69 -0.23 1.25 4.81 -1.34 0.47 114.58 121.00 3kda h GLU 201 Ca 0.16 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3kda h GLU 201 Cb 0.40 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3kda h GLU 201 CO 0.01 0.60 0.04 1.25 -0.73 0.00 0.00 179.01 180.19 3kda h HIS 202 N 0.61 0.40 -0.24 0.92 2.76 -0.95 -1.12 115.15 117.53 3kda h HIS 202 Ca 0.16 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3kda h HIS 202 Cb 0.16 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3kda h HIS 202 CO -0.00 0.50 0.14 0.35 -1.30 0.00 0.00 177.93 177.62 3kda h PHE 203 N 0.19 0.26 0.02 5.26 3.04 -0.55 -0.26 116.94 124.90 3kda h PHE 203 Ca 0.07 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.03 3kda h PHE 203 Cb 0.31 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.74 3kda h PHE 203 CO 0.02 0.15 -0.01 0.82 -2.02 0.00 0.00 178.31 177.27 3kda h ILE 204 N 0.28 1.21 -0.45 1.41 2.04 -0.88 -2.88 117.51 118.25 3kda h ILE 204 Ca 0.09 -0.71 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 3kda h ILE 204 Cb -0.00 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3kda h ILE 204 CO -0.04 0.18 0.05 0.11 0.00 0.00 0.00 178.15 178.45 3kda h LYS 205 N -0.33 0.70 0.00 2.37 1.57 -1.14 -1.47 116.57 118.26 3kda h LYS 205 Ca -0.00 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kda h LYS 205 Cb 0.32 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kda h LYS 205 CO 0.00 0.68 -0.00 0.66 -0.57 0.00 0.00 179.45 180.23 3kda h SER 206 N 0.67 0.00 -0.55 0.86 4.64 -1.01 -1.86 113.55 116.29 3kda h SER 206 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kda h SER 206 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3kda h SER 206 CO 0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 3kda n HIS 207 N -3.09 0.87 -4.21 4.77 8.25 -0.61 -4.59 115.22 116.61 3kda n HIS 207 Ca -0.01 -0.54 -0.28 0.00 -0.26 0.00 0.00 57.72 56.64 3kda n HIS 207 Cb 0.23 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 3kda n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kda s ALA 208 N -1.23 3.09 -0.28 -1.41 0.00 -0.70 -0.68 121.76 120.55 3kda s ALA 208 Ca 0.39 -1.30 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 3kda s ALA 208 Cb 0.22 -0.95 -0.12 0.00 0.00 0.00 0.00 23.12 22.26 3kda s ALA 208 CO 0.24 0.57 -0.35 0.43 0.00 0.00 0.00 175.76 176.65 3kda n SER 209 N 0.30 1.96 -4.32 0.00 7.64 -1.11 -4.65 113.62 113.43 3kda n SER 209 Ca -0.11 0.30 -0.44 0.00 1.01 0.00 0.00 58.87 59.63 3kda n SER 209 Cb 0.54 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3kda n SER 209 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kda n ASN 210 N -4.17 5.26 0.22 6.43 5.15 -1.26 -4.82 115.26 122.08 3kda n ASN 210 Ca -0.54 -3.02 0.09 0.00 -0.60 0.00 0.00 54.58 50.51 3kda n ASN 210 Cb 0.90 -1.53 0.49 0.00 -0.53 0.00 0.00 39.78 39.11 3kda n ASN 210 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kda h THR 211 N 4.34 0.64 0.00 -0.44 1.35 -1.92 -3.26 112.91 113.62 3kda h THR 211 Ca 0.32 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3kda h THR 211 Cb 0.81 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3kda h THR 211 CO 1.31 0.23 0.00 -1.84 -0.25 0.00 0.00 175.52 174.97 3kda n GLU 212 N -3.49 0.13 0.23 4.72 0.28 -1.26 -1.45 120.64 119.80 3kda n GLU 212 Ca -0.00 0.28 0.16 0.00 -0.16 0.00 0.00 57.16 57.43 3kda n GLU 212 Cb 0.40 -1.71 0.68 0.00 1.43 0.00 0.00 31.44 32.24 3kda n GLU 212 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 3kda h VAL 213 N 0.00 0.00 -1.90 3.84 -1.51 -1.92 -3.34 116.25 111.43 3kda h VAL 213 Ca 0.00 -0.33 -0.75 0.00 -1.23 0.00 0.00 66.70 64.40 3kda h VAL 213 Cb 0.43 1.20 -0.17 0.00 -2.13 0.00 0.00 31.29 30.62 3kda h VAL 213 CO 0.00 0.00 1.59 0.49 -1.23 0.00 0.00 177.57 178.42 3kda n PHE 214 N -2.76 4.22 -1.02 5.19 3.72 -0.53 -4.94 117.46 121.35 3kda n PHE 214 Ca 0.01 -3.15 -0.31 0.00 -0.05 0.00 0.00 57.45 53.94 3kda n PHE 214 Cb 0.23 -2.09 0.12 0.00 -0.94 0.00 0.00 39.48 36.81 3kda n PHE 214 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kda s SER 215 N 2.07 3.81 0.33 4.37 1.04 -1.25 -4.78 113.70 119.28 3kda s SER 215 Ca 0.42 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.84 3kda s SER 215 Cb 0.02 -2.54 0.61 0.00 0.10 0.00 0.00 66.02 64.21 3kda s SER 215 CO 0.00 -2.50 1.94 -0.33 0.98 0.00 0.00 173.24 173.33 3kda h GLU 216 N -1.45 0.90 -0.26 4.02 4.39 -1.95 -0.72 114.58 119.50 3kda h GLU 216 Ca -0.43 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.20 3kda h GLU 216 Cb 1.25 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3kda h GLU 216 CO 0.47 0.59 0.13 -0.09 -1.16 0.00 0.00 179.01 178.95 3kda h ARG 217 N 0.93 0.38 -0.39 2.33 2.43 -1.99 -0.76 114.38 117.30 3kda h ARG 217 Ca 0.35 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.34 3kda h ARG 217 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3kda h ARG 217 CO -0.12 0.37 -0.21 1.25 -1.51 0.00 0.00 179.97 179.75 3kda h LEU 218 N 0.29 0.86 -1.24 3.80 5.85 -1.80 -2.58 115.31 120.50 3kda h LEU 218 Ca 0.09 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3kda h LEU 218 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3kda h LEU 218 CO -0.01 1.09 0.43 -0.07 -0.34 0.00 0.00 178.44 179.53 3kda h LEU 219 N 0.64 0.83 -0.70 2.25 3.38 -1.07 -2.24 115.31 118.40 3kda h LEU 219 Ca 0.08 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kda h LEU 219 Cb 0.78 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3kda h LEU 219 CO 0.06 0.63 0.46 0.44 0.09 0.00 0.00 178.44 180.13 3kda h ASP 220 N 0.96 0.79 -0.07 -0.43 3.32 -0.82 0.05 116.42 120.21 3kda h ASP 220 Ca 0.25 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kda h ASP 220 Cb -0.05 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3kda h ASP 220 CO -0.05 0.57 0.04 -0.07 -1.72 0.00 0.00 179.24 178.01 3kda h LEU 221 N 0.93 0.09 -0.48 1.55 3.38 -1.04 -2.00 115.31 117.75 3kda h LEU 221 Ca 0.26 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3kda h LEU 221 Cb -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kda h LEU 221 CO -0.06 0.15 -0.19 1.88 0.09 0.00 0.00 178.44 180.31 3kda h TYR 222 N 0.01 1.11 -0.66 1.13 0.05 -1.22 -3.15 116.97 114.25 3kda h TYR 222 Ca 0.02 -0.26 -0.06 0.00 0.05 0.00 0.00 58.73 58.48 3kda h TYR 222 Cb 0.09 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 3kda h TYR 222 CO -0.04 1.08 0.17 0.00 -1.05 0.00 0.00 178.16 178.32 3kda h ALA 223 N 0.87 0.87 0.00 3.88 0.00 -0.92 -2.54 119.26 121.41 3kda h ALA 223 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kda h ALA 223 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kda h ALA 223 CO 0.06 0.57 -0.22 0.07 0.00 0.00 0.00 179.25 179.74 3kda h ARG 224 N 0.97 0.00 0.07 0.00 0.11 -1.34 -1.34 114.38 112.85 3kda h ARG 224 Ca 0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.28 3kda h ARG 224 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3kda h ARG 224 CO 0.00 0.22 -0.04 1.03 0.10 0.00 0.00 179.97 181.28 3kda h SER 225 N 0.00 -0.08 0.80 0.08 0.87 -1.43 -3.25 113.55 110.54 3kda h SER 225 Ca -0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3kda h SER 225 Cb 0.41 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3kda h SER 225 CO 0.03 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 3kda n TYR 226 N -4.89 0.00 0.57 2.24 -0.00 -0.99 -2.72 117.16 111.36 3kda n TYR 226 Ca -0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 57.94 3kda n TYR 226 Cb 0.27 -0.47 0.44 0.00 -0.00 0.00 0.00 39.34 39.58 3kda n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kda n ALA 227 N -1.47 2.08 -1.67 -3.48 0.00 -0.52 -1.96 120.51 113.48 3kda n ALA 227 Ca 0.07 0.01 -0.46 0.00 0.00 0.00 0.00 53.44 53.06 3kda n ALA 227 Cb 0.28 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 3kda n ALA 227 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kda n LYS 228 N -2.22 2.22 -0.35 0.00 5.02 -1.10 -4.77 118.16 116.96 3kda n LYS 228 Ca 0.04 0.80 0.10 0.00 -2.02 0.00 0.00 58.31 57.24 3kda n LYS 228 Cb 0.36 -2.60 0.29 0.00 -0.02 0.00 0.00 35.03 33.06 3kda n LYS 228 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kda h PRO 229 N 6.75 0.85 0.00 1.97 0.11 -1.92 0.19 132.00 139.95 3kda h PRO 229 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3kda h PRO 229 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3kda h PRO 229 CO 0.91 0.56 -0.26 1.12 -0.21 0.00 0.00 178.00 180.12 3kda h HIS 230 N 0.88 0.00 0.17 0.65 2.07 -1.92 -1.78 115.15 115.22 3kda h HIS 230 Ca 0.53 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.76 3kda h HIS 230 Cb 0.69 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.69 3kda h HIS 230 CO -0.00 0.26 -1.35 0.77 -3.07 0.00 0.00 177.93 174.54 3kda h SER 231 N 0.00 0.56 -0.18 3.10 0.02 -0.79 -0.51 113.55 115.75 3kda h SER 231 Ca -0.00 -0.61 -0.01 0.00 -0.84 0.00 0.00 61.79 60.33 3kda h SER 231 Cb 0.66 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3kda h SER 231 CO 0.03 1.48 0.08 0.25 -1.14 0.00 0.00 176.83 177.54 3kda h LEU 232 N 0.10 0.23 -0.16 5.07 5.85 -0.40 -0.32 115.31 125.67 3kda h LEU 232 Ca -0.18 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3kda h LEU 232 Cb 2.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 3kda h LEU 232 CO 0.22 0.29 0.08 -1.13 -0.34 0.00 0.00 178.44 177.56 3kda h ASN 233 N 0.16 0.21 -0.87 1.25 -0.73 -1.40 -2.91 115.58 111.28 3kda h ASN 233 Ca 0.06 -0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.21 3kda h ASN 233 Cb 0.12 -0.05 -0.07 0.00 0.27 0.00 0.00 38.32 38.58 3kda h ASN 233 CO -0.01 0.27 0.52 0.00 -0.37 0.00 0.00 177.43 177.84 3kda h ALA 234 N 0.95 1.26 -0.54 1.57 0.00 -0.96 -0.76 119.26 120.78 3kda h ALA 234 Ca 0.05 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3kda h ALA 234 Cb 0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 3kda h ALA 234 CO -0.01 0.16 0.05 0.77 0.00 0.00 0.00 179.25 180.22 3kda h SER 235 N 0.87 -0.13 1.46 0.00 0.02 -0.86 -2.00 113.55 112.91 3kda h SER 235 Ca 0.42 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.38 3kda h SER 235 Cb 0.37 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3kda h SER 235 CO -0.24 -0.04 -0.50 -0.26 -1.14 0.00 0.00 176.83 174.64 3kda h PHE 236 N 0.17 0.00 0.00 3.45 0.04 -1.25 -3.16 116.94 116.19 3kda h PHE 236 Ca 0.28 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 3kda h PHE 236 Cb 0.41 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 3kda h PHE 236 CO -0.29 0.50 -0.05 0.93 -0.60 0.00 0.00 178.31 178.80 3kda h GLU 237 N 0.00 0.00 -0.56 1.51 4.39 -0.40 -0.44 114.58 119.07 3kda h GLU 237 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kda h GLU 237 Cb 1.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.99 3kda h GLU 237 CO 0.07 0.05 0.29 1.88 -1.16 0.00 0.00 179.01 180.13 3kda h TYR 238 N 0.00 0.76 0.06 4.33 0.05 -1.48 -1.58 116.97 119.12 3kda h TYR 238 Ca -0.00 -0.01 -0.24 0.00 0.05 0.00 0.00 58.73 58.53 3kda h TYR 238 Cb 0.08 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3kda h TYR 238 CO 0.00 0.55 -1.08 1.88 -1.05 0.00 0.00 178.16 178.45 3kda h TYR 239 N 0.78 0.36 0.00 4.88 0.05 -1.32 -2.86 116.97 118.86 3kda h TYR 239 Ca 0.20 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3kda h TYR 239 Cb 0.05 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3kda h TYR 239 CO 0.01 1.14 0.00 0.00 -1.05 0.00 0.00 178.16 178.26 3kda h ARG 240 N 0.08 0.00 -0.02 4.88 3.08 -0.74 -2.18 114.38 119.48 3kda h ARG 240 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kda h ARG 240 Cb 1.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.84 3kda h ARG 240 CO 0.17 0.00 -0.14 0.00 -1.07 0.00 0.00 179.97 178.93 3kda n ALA 241 N -2.05 2.80 -0.14 0.04 0.00 -0.63 -4.59 120.51 115.95 3kda n ALA 241 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 53.44 52.75 3kda n ALA 241 Cb 0.23 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.82 3kda n ALA 241 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kda h LEU 242 N 3.56 0.36 -1.13 0.00 5.85 -1.16 -0.44 115.31 122.35 3kda h LEU 242 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3kda h LEU 242 Cb 0.83 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 3kda h LEU 242 CO 0.00 0.26 0.09 0.78 -0.34 0.00 0.00 178.44 179.22 3kda h ASN 243 N 0.47 0.65 -0.65 1.25 -0.26 -1.81 0.07 115.58 115.30 3kda h ASN 243 Ca 0.18 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 3kda h ASN 243 Cb 0.05 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 3kda h ASN 243 CO -0.10 0.66 0.32 -0.08 -1.06 0.00 0.00 177.43 177.17 3kda h GLU 244 N 0.68 0.93 -0.75 0.81 4.81 -1.67 -1.59 114.58 117.79 3kda h GLU 244 Ca 0.15 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3kda h GLU 244 Cb 0.29 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3kda h GLU 244 CO 0.00 0.73 0.43 0.77 -0.73 0.00 0.00 179.01 180.21 3kda h SER 245 N 0.89 0.92 -0.43 1.04 0.02 -0.15 0.87 113.55 116.72 3kda h SER 245 Ca 0.22 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3kda h SER 245 Cb 0.10 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3kda h SER 245 CO -0.03 0.73 0.20 0.58 -1.14 0.00 0.00 176.83 177.17 3kda h VAL 246 N 1.03 0.94 -0.69 2.27 2.07 -0.74 0.24 116.25 121.36 3kda h VAL 246 Ca 0.27 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3kda h VAL 246 Cb 0.00 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3kda h VAL 246 CO -0.05 0.07 0.16 0.03 0.02 0.00 0.00 177.57 177.80 3kda h ARG 247 N 0.40 1.12 -0.13 1.57 3.08 -0.61 -1.64 114.38 118.17 3kda h ARG 247 Ca 0.19 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kda h ARG 247 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3kda h ARG 247 CO -0.15 1.00 0.08 1.96 -1.07 0.00 0.00 179.97 181.79 3kda h GLN 248 N 1.05 0.17 0.00 0.04 4.20 -0.52 -3.06 115.11 116.99 3kda h GLN 248 Ca 0.22 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3kda h GLN 248 Cb 0.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3kda h GLN 248 CO 0.00 0.11 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.17 3kda h ASN 249 N 0.17 0.00 -0.50 1.46 2.35 -0.62 -2.40 115.58 116.05 3kda h ASN 249 Ca 0.05 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3kda h ASN 249 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3kda h ASN 249 CO -0.01 0.20 0.33 0.00 -1.65 0.00 0.00 177.43 176.30 3kda h ALA 250 N 1.80 1.78 0.02 -0.83 0.00 -1.20 -0.45 119.26 120.39 3kda h ALA 250 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kda h ALA 250 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kda h ALA 250 CO 0.03 0.16 -0.01 0.93 0.00 0.00 0.00 179.25 180.35 3kda h GLU 251 N 0.54 -0.02 -0.08 0.00 4.39 -1.53 -3.37 114.58 114.50 3kda h GLU 251 Ca 0.20 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.91 3kda h GLU 251 Cb 0.12 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3kda h GLU 251 CO -0.05 0.67 0.06 -0.07 -1.16 0.00 0.00 179.01 178.45 3kda h LEU 252 N -0.96 0.05 0.00 1.33 3.38 -1.21 -2.35 115.31 115.56 3kda h LEU 252 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kda h LEU 252 Cb 0.70 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3kda h LEU 252 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3kda n ALA 253 N -2.54 2.43 0.45 1.53 0.00 -0.20 -2.90 120.51 119.28 3kda n ALA 253 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.34 3kda n ALA 253 Cb 0.12 -1.37 0.28 0.00 0.00 0.00 0.00 19.45 18.48 3kda n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kda n LYS 254 N -0.95 0.02 -4.60 0.00 5.02 -0.88 -4.45 118.16 112.32 3kda n LYS 254 Ca 0.17 0.27 -0.28 0.00 -2.02 0.00 0.00 58.31 56.45 3kda n LYS 254 Cb 0.08 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.42 3kda n LYS 254 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3kda s THR 255 N -2.96 1.48 0.41 -0.18 -1.32 -1.14 -5.14 115.64 106.78 3kda s THR 255 Ca 0.07 -0.65 -0.23 0.00 -1.21 0.00 0.00 61.69 59.67 3kda s THR 255 Cb 0.08 -1.34 -0.10 0.00 -1.51 0.00 0.00 72.50 69.63 3kda s THR 255 CO 0.23 0.43 0.97 -0.13 -2.21 0.00 0.00 174.62 173.91 3kda s ARG 256 N 0.82 4.26 0.29 7.08 0.52 -1.26 -5.02 118.95 125.63 3kda s ARG 256 Ca -0.10 1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 56.06 3kda s ARG 256 Cb -0.16 -2.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.85 3kda s ARG 256 CO 0.01 -0.02 1.24 -0.51 0.02 0.00 0.00 175.30 176.05 3kda s LEU 257 N -2.88 4.46 0.00 2.53 1.43 0.94 -4.88 118.68 120.29 3kda s LEU 257 Ca 0.59 2.51 0.10 0.00 -1.03 0.00 0.00 54.13 56.31 3kda s LEU 257 Cb -0.14 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.36 3kda s LEU 257 CO 0.18 -0.41 0.50 0.00 0.23 0.00 0.00 176.35 176.85 3kda n GLN 258 N 1.21 3.19 -2.61 1.70 1.13 -1.26 -1.51 117.38 119.23 3kda n GLN 258 Ca 0.01 -0.17 -0.28 0.00 -1.94 0.00 0.00 57.00 54.62 3kda n GLN 258 Cb 0.43 -1.02 -0.01 0.00 0.11 0.00 0.00 30.24 29.75 3kda n GLN 258 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kda s MET 259 N -1.83 3.59 0.22 -1.09 0.23 -1.26 -4.78 119.30 114.38 3kda s MET 259 Ca 0.05 0.29 -0.31 0.00 -1.03 0.00 0.00 55.69 54.69 3kda s MET 259 Cb 0.08 -2.35 -0.11 0.00 -1.53 0.00 0.00 34.83 30.91 3kda s MET 259 CO 0.38 -0.20 1.64 -2.14 -2.03 0.00 0.00 175.02 172.67 3kda s PRO 260 N -4.61 4.15 0.06 3.16 0.02 -1.26 -4.52 135.00 132.00 3kda s PRO 260 Ca 0.49 2.53 0.06 0.00 0.02 0.00 0.00 61.00 64.09 3kda s PRO 260 Cb -0.10 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3kda s PRO 260 CO 0.43 -0.67 -0.16 0.99 -0.33 0.00 0.00 177.00 177.26 3kda s THR 261 N 0.82 1.24 -0.02 0.99 2.01 -0.05 -1.66 115.64 118.96 3kda s THR 261 Ca 0.70 -1.17 0.04 0.00 0.31 0.00 0.00 61.69 61.56 3kda s THR 261 Cb -0.47 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 3kda s THR 261 CO 0.36 -0.05 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.80 3kda s MET 262 N -1.41 1.08 0.01 4.92 1.75 -0.08 -1.46 119.30 124.12 3kda s MET 262 Ca 0.02 -0.44 0.04 0.00 -1.25 0.00 0.00 55.69 54.06 3kda s MET 262 Cb -0.09 -1.02 -0.03 0.00 2.84 0.00 0.00 34.83 36.53 3kda s MET 262 CO 0.02 0.24 -0.10 0.95 -0.65 0.00 0.00 175.02 175.48 3kda s THR 263 N -0.17 3.41 0.03 10.11 -4.23 0.22 -1.34 115.64 123.67 3kda s THR 263 Ca 0.03 -0.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 3kda s THR 263 Cb -0.06 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3kda s THR 263 CO -0.00 0.38 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.50 3kda s LEU 264 N -1.41 2.15 0.02 4.79 1.43 -0.57 -1.23 118.68 123.86 3kda s LEU 264 Ca 0.16 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3kda s LEU 264 Cb -0.11 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3kda s LEU 264 CO 0.07 0.17 0.24 0.00 0.23 0.00 0.00 176.35 177.05 3kda s ALA 265 N -0.75 -0.53 0.25 4.21 0.00 -0.66 -2.18 121.76 122.11 3kda s ALA 265 Ca 0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 3kda s ALA 265 Cb -0.09 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 3kda s ALA 265 CO 0.01 -0.32 0.92 0.20 0.00 0.00 0.00 175.76 176.56 3kda s GLY 266 N -1.79 3.00 0.00 0.00 0.00 -1.23 -0.56 107.32 106.73 3kda s GLY 266 Ca -0.09 0.55 0.22 0.00 0.00 0.00 0.00 44.72 45.41 3kda s GLY 266 CO -0.01 1.07 1.03 0.61 0.00 0.00 0.00 173.10 175.80 3kda n GLY 267 N 1.24 -1.08 1.50 0.20 0.00 0.15 -1.29 105.19 105.91 3kda n GLY 267 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 3kda n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kda n GLY 268 N 1.48 0.14 3.67 -0.02 0.00 0.66 -4.74 105.19 106.37 3kda n GLY 268 Ca 0.04 -1.90 -0.46 0.00 0.00 0.00 0.00 46.02 43.70 3kda n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kda n ALA 269 N -3.07 1.29 0.00 4.61 0.00 -1.26 -1.97 120.51 120.10 3kda n ALA 269 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kda n ALA 269 Cb 0.23 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3kda n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kda n GLY 270 N 3.33 1.40 3.93 0.00 0.00 -1.26 -2.77 105.19 109.82 3kda n GLY 270 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3kda n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kda s GLY 271 N -2.21 1.63 0.16 -0.02 0.00 -0.83 -3.33 107.32 102.72 3kda s GLY 271 Ca 0.00 -0.86 0.25 0.00 0.00 0.00 0.00 44.72 44.11 3kda s GLY 271 CO 0.00 -0.59 1.56 1.03 0.00 0.00 0.00 173.10 175.11 3kda n MET 272 N -2.50 0.27 0.00 2.90 2.81 -1.20 -4.90 117.12 114.50 3kda n MET 272 Ca 0.05 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3kda n MET 272 Cb 0.58 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 3kda n MET 272 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kda n GLY 273 N 1.33 2.64 0.08 3.03 0.00 -0.41 -2.40 105.19 109.45 3kda n GLY 273 Ca 0.05 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3kda n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kda n THR 274 N 0.00 0.88 -0.37 2.61 -2.24 -1.26 -3.23 114.28 110.67 3kda n THR 274 Ca 0.00 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 3kda n THR 274 Cb 0.00 -1.07 0.15 0.00 -2.10 0.00 0.00 70.33 67.31 3kda n THR 274 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3kda h PHE 275 N 0.00 1.22 0.29 4.78 3.04 -1.90 -2.39 116.94 121.97 3kda h PHE 275 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3kda h PHE 275 Cb 0.33 -0.41 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 3kda h PHE 275 CO 0.00 0.70 -0.33 0.37 -2.02 0.00 0.00 178.31 177.03 3kda h GLN 276 N 1.26 -0.64 -0.43 1.11 5.75 -1.72 -0.35 115.11 120.10 3kda h GLN 276 Ca 0.40 0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.89 3kda h GLN 276 Cb 0.01 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 3kda h GLN 276 CO -0.12 -0.43 0.05 1.25 -2.65 0.00 0.00 178.83 176.93 3kda h LEU 277 N -0.66 0.69 -0.73 -2.39 5.85 -1.80 -1.97 115.31 114.30 3kda h LEU 277 Ca -0.01 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3kda h LEU 277 Cb 0.62 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3kda h LEU 277 CO -0.09 0.79 0.46 -0.33 -0.34 0.00 0.00 178.44 178.93 3kda h GLU 278 N 0.57 0.85 -0.47 1.25 4.39 -1.20 -1.14 114.58 118.83 3kda h GLU 278 Ca 0.13 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 3kda h GLU 278 Cb 0.40 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3kda h GLU 278 CO 0.01 0.56 -0.16 0.37 -1.16 0.00 0.00 179.01 178.63 3kda h GLN 279 N 0.88 0.94 -0.09 2.33 4.15 -1.04 -3.18 115.11 119.10 3kda h GLN 279 Ca 0.30 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3kda h GLN 279 Cb 0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3kda h GLN 279 CO -0.12 1.04 -0.11 1.98 -1.93 0.00 0.00 178.83 179.69 3kda h MET 280 N 0.78 0.13 -0.31 1.69 4.05 -0.52 -1.67 114.93 119.09 3kda h MET 280 Ca 0.11 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.58 3kda h MET 280 Cb 0.73 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 3kda h MET 280 CO 0.06 0.24 0.22 0.87 0.23 0.00 0.00 176.91 178.53 3kda h LYS 281 N 0.12 0.07 0.00 0.39 1.57 -1.22 0.23 116.57 117.73 3kda h LYS 281 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kda h LYS 281 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kda h LYS 281 CO 0.02 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 3kda h ALA 282 N 1.84 1.00 0.00 3.86 0.00 -1.43 -3.30 119.26 121.23 3kda h ALA 282 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kda h ALA 282 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3kda h ALA 282 CO -0.01 0.00 -1.66 0.66 0.00 0.00 0.00 179.25 178.24 3kda n TYR 283 N -2.62 0.00 -4.28 0.00 4.02 0.57 -4.92 117.16 109.94 3kda n TYR 283 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.74 3kda n TYR 283 Cb 0.35 -0.36 -0.15 0.00 -0.02 0.00 0.00 39.34 39.16 3kda n TYR 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kda s ALA 284 N -2.82 0.63 0.14 -0.72 0.00 0.14 -0.04 121.76 119.08 3kda s ALA 284 Ca -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3kda s ALA 284 Cb 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3kda s ALA 284 CO 0.55 0.14 1.32 1.49 0.00 0.00 0.00 175.76 179.27 3kda h GLU 285 N 6.05 0.14 -3.48 0.00 4.22 -1.56 -3.42 114.58 116.53 3kda h GLU 285 Ca -0.30 -0.19 -0.63 0.00 0.08 0.00 0.00 59.36 58.32 3kda h GLU 285 Cb 1.18 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.09 3kda h GLU 285 CO 0.50 0.99 -0.68 0.34 -2.18 0.00 0.00 179.01 177.97 3kda s ASP 286 N -6.90 4.17 -0.03 1.04 -1.08 -1.26 -5.08 116.67 107.52 3kda s ASP 286 Ca -0.02 -2.67 0.01 0.00 -0.52 0.00 0.00 52.55 49.35 3kda s ASP 286 Cb 0.10 -1.41 0.01 0.00 -1.46 0.00 0.00 42.92 40.16 3kda s ASP 286 CO 0.83 -0.28 -0.05 0.54 0.52 0.00 0.00 175.17 176.73 3kda s VAL 287 N 0.21 0.54 -0.10 1.11 0.11 -1.26 -0.87 120.40 120.14 3kda s VAL 287 Ca 0.16 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 3kda s VAL 287 Cb -0.24 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 3kda s VAL 287 CO -0.03 0.21 -0.12 -0.70 -3.33 0.00 0.00 175.10 171.13 3kda s GLU 288 N 0.61 3.06 0.08 1.54 2.12 -0.53 -5.01 118.70 120.57 3kda s GLU 288 Ca -0.08 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.68 3kda s GLU 288 Cb -0.11 -2.57 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 3kda s GLU 288 CO 0.00 0.40 -0.22 0.20 -0.54 0.00 0.00 175.26 175.11 3kda s GLY 289 N -0.13 1.25 -0.01 -1.50 0.00 -1.26 -0.61 107.32 105.05 3kda s GLY 289 Ca -0.00 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.53 3kda s GLY 289 CO 0.03 -1.18 -0.07 0.30 0.00 0.00 0.00 173.10 172.18 3kda s HIS 290 N -1.02 0.69 -0.19 1.90 3.76 -0.37 -4.95 115.29 115.11 3kda s HIS 290 Ca 0.08 -0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3kda s HIS 290 Cb -0.10 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.11 3kda s HIS 290 CO 0.04 -0.04 -0.06 0.08 -0.85 0.00 0.00 174.74 173.91 3kda s VAL 291 N -0.03 3.44 -0.31 -0.90 1.01 -1.26 -1.65 120.40 120.70 3kda s VAL 291 Ca 0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3kda s VAL 291 Cb -0.05 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3kda s VAL 291 CO -0.00 0.46 0.32 -0.76 0.00 0.00 0.00 175.10 175.12 3kda s LEU 292 N 0.98 4.26 0.42 3.92 1.02 0.27 -4.78 118.68 124.76 3kda s LEU 292 Ca -0.00 -0.07 -0.25 0.00 0.02 0.00 0.00 54.13 53.83 3kda s LEU 292 Cb -0.15 -2.30 -0.08 0.00 0.02 0.00 0.00 46.19 43.68 3kda s LEU 292 CO 0.00 -0.23 1.24 -2.16 0.02 0.00 0.00 176.35 175.22 3kda s PRO 293 N 1.95 3.90 -0.42 1.29 0.04 -1.26 -0.68 135.00 139.83 3kda s PRO 293 Ca 0.11 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3kda s PRO 293 Cb -0.16 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.74 3kda s PRO 293 CO 0.11 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.07 3kda n GLY 294 N 0.63 0.66 3.17 0.56 0.00 -1.26 -4.87 105.19 104.08 3kda n GLY 294 Ca 0.05 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 3kda n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kda n GLY 296 N 2.72 0.79 0.11 0.00 0.00 -1.26 -0.25 105.19 107.31 3kda n GLY 296 Ca -0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 3kda n GLY 296 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kda h HIS 297 N 0.00 0.02 -2.21 1.61 2.76 -0.90 -3.27 115.15 113.15 3kda h HIS 297 Ca 0.00 -0.01 -0.80 0.00 -2.20 0.00 0.00 60.37 57.36 3kda h HIS 297 Cb 0.00 -0.00 -0.25 0.00 1.55 0.00 0.00 27.41 28.71 3kda h HIS 297 CO 0.00 0.76 1.23 0.91 -1.30 0.00 0.00 177.93 179.53 3kda n TRP 298 N -3.65 2.61 -0.24 5.26 7.02 -1.26 -4.85 117.44 122.33 3kda n TRP 298 Ca -0.01 -2.61 0.02 0.00 -1.02 0.00 0.00 57.50 53.88 3kda n TRP 298 Cb 0.73 -1.35 0.14 0.00 -2.42 0.00 0.00 31.31 28.42 3kda n TRP 298 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3kda h LEU 299 N 4.92 0.34 -1.73 -0.99 3.38 -1.96 -0.06 115.31 119.22 3kda h LEU 299 Ca 0.47 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.50 3kda h LEU 299 Cb 0.41 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kda h LEU 299 CO 1.29 0.18 0.02 -0.65 0.09 0.00 0.00 178.44 179.36 3kda h PRO 300 N 0.50 0.18 0.07 1.13 0.11 -1.87 -0.83 132.00 131.28 3kda h PRO 300 Ca 0.35 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 66.09 3kda h PRO 300 Cb 0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 3kda h PRO 300 CO -0.32 0.19 -1.97 0.39 -0.21 0.00 0.00 178.00 176.08 3kda n GLU 301 N -4.44 0.69 0.09 1.05 4.71 -0.78 -3.57 120.64 118.39 3kda n GLU 301 Ca -0.01 0.31 -0.05 0.00 -0.01 0.00 0.00 57.16 57.40 3kda n GLU 301 Cb 0.14 -1.67 0.11 0.00 -1.01 0.00 0.00 31.44 29.01 3kda n GLU 301 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3kda h GLU 302 N -0.26 0.20 -1.47 3.49 5.08 -0.98 -3.36 114.58 117.27 3kda h GLU 302 Ca -0.46 -0.15 -0.42 0.00 -1.00 0.00 0.00 59.36 57.34 3kda h GLU 302 Cb 1.82 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.70 3kda h GLU 302 CO -0.05 0.77 -1.18 0.00 -1.00 0.00 0.00 179.01 177.55 3kda h ALA 304 N 2.99 0.33 0.62 0.00 0.00 -1.61 -1.55 119.26 120.04 3kda h ALA 304 Ca -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3kda h ALA 304 Cb 1.08 0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kda h ALA 304 CO 0.49 -0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.04 3kda h ALA 305 N 1.32 -0.84 -0.22 0.00 0.00 -1.92 0.48 119.26 118.09 3kda h ALA 305 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3kda h ALA 305 Cb 0.25 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3kda h ALA 305 CO -0.30 -0.95 -0.37 -1.00 0.00 0.00 0.00 179.25 176.63 3kda h PRO 306 N -0.89 0.48 -0.22 0.00 0.13 -1.96 -1.84 132.00 127.70 3kda h PRO 306 Ca -0.09 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3kda h PRO 306 Cb 0.66 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3kda h PRO 306 CO 0.14 0.79 -0.07 1.98 -0.23 0.00 0.00 178.00 180.61 3kda h MET 307 N 0.41 0.43 -0.79 0.86 4.05 -1.24 -1.13 114.93 117.53 3kda h MET 307 Ca 0.04 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 3kda h MET 307 Cb 0.84 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.58 3kda h MET 307 CO 0.07 0.69 0.40 -0.91 0.23 0.00 0.00 176.91 177.39 3kda h ASN 308 N 0.15 1.01 -0.13 1.39 2.35 -0.84 -1.54 115.58 117.97 3kda h ASN 308 Ca 0.05 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3kda h ASN 308 Cb 0.54 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3kda h ASN 308 CO 0.03 0.84 0.08 -0.09 -1.65 0.00 0.00 177.43 176.64 3kda h ARG 309 N 1.10 0.18 -0.72 0.81 9.65 -1.21 -0.22 114.38 123.98 3kda h ARG 309 Ca 0.27 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.13 3kda h ARG 309 Cb 0.08 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3kda h ARG 309 CO -0.04 0.16 0.44 -0.07 2.80 0.00 0.00 179.97 183.26 3kda h LEU 310 N 0.15 0.86 -0.04 3.80 3.38 -0.89 -0.47 115.31 122.10 3kda h LEU 310 Ca 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kda h LEU 310 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3kda h LEU 310 CO -0.01 0.66 -0.00 0.58 0.09 0.00 0.00 178.44 179.76 3kda h VAL 311 N 0.98 1.27 -0.49 1.22 2.07 -1.12 -1.21 116.25 118.96 3kda h VAL 311 Ca 0.26 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3kda h VAL 311 Cb -0.04 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3kda h VAL 311 CO -0.05 0.22 0.31 0.40 0.02 0.00 0.00 177.57 178.47 3kda h ILE 312 N -0.25 1.10 -0.39 4.57 2.04 -0.88 -0.89 117.51 122.81 3kda h ILE 312 Ca 0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3kda h ILE 312 Cb 0.36 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3kda h ILE 312 CO 0.00 0.12 0.11 0.44 0.00 0.00 0.00 178.15 178.81 3kda h ASP 313 N 0.63 0.58 -0.41 1.72 3.32 -1.07 -0.70 116.42 120.50 3kda h ASP 313 Ca 0.19 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3kda h ASP 313 Cb -0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3kda h ASP 313 CO -0.06 0.65 0.13 0.15 -1.72 0.00 0.00 179.24 178.40 3kda h PHE 314 N 0.49 0.66 0.00 4.55 3.57 -0.93 -2.62 116.94 122.66 3kda h PHE 314 Ca 0.12 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3kda h PHE 314 Cb 0.29 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kda h PHE 314 CO 0.01 0.60 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.25 3kda h LEU 315 N 0.52 0.00 0.00 0.59 3.38 -1.08 -2.93 115.31 115.78 3kda h LEU 315 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kda h LEU 315 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kda h LEU 315 CO -0.01 0.37 0.00 -1.20 0.09 0.00 0.00 178.44 177.70 3kda n SER 316 N -3.67 0.00 0.24 -0.43 7.64 -0.28 -2.30 113.62 114.82 3kda n SER 316 Ca -0.01 -0.39 0.12 0.00 1.01 0.00 0.00 58.87 59.60 3kda n SER 316 Cb 0.47 -0.18 0.49 0.00 -1.01 0.00 0.00 64.21 63.98 3kda n SER 316 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3kda h ARG 317 N 0.00 0.00 -6.78 1.43 3.08 -1.38 -3.44 114.38 107.29 3kda h ARG 317 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3kda h ARG 317 Cb 0.16 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.25 3kda h ARG 317 CO 0.00 0.15 -0.05 0.20 -1.07 0.00 0.00 179.97 179.20 3kda s GLY 318 N -4.25 1.67 0.26 0.04 0.00 -0.97 -5.04 107.32 99.02 3kda s GLY 318 Ca 0.01 -1.14 -0.31 0.00 0.00 0.00 0.00 44.72 43.29 3kda s GLY 318 CO 0.62 -0.92 1.54 -2.13 0.00 0.00 0.00 173.10 172.21 3kda n ARG 319 N -2.21 2.45 -4.01 2.90 0.63 -1.26 -4.98 116.66 110.18 3kda n ARG 319 Ca 0.04 0.87 -0.11 0.00 -0.92 0.00 0.00 57.85 57.74 3kda n ARG 319 Cb 0.58 -2.62 -0.04 0.00 0.45 0.00 0.00 32.46 30.83 3kda n ARG 319 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3kda s HIS 320 N 0.11 0.58 0.28 -0.14 -3.43 -1.26 -4.78 115.29 106.66 3kda s HIS 320 Ca 0.67 -0.93 -0.28 0.00 -0.80 0.00 0.00 55.06 53.71 3kda s HIS 320 Cb -0.56 0.15 -0.09 0.00 -1.43 0.00 0.00 32.58 30.65 3kda s HIS 320 CO 0.47 -1.10 0.97 -1.58 -2.00 0.00 0.00 174.74 171.50 3kda s HIS 321 N -3.52 3.79 -1.58 0.38 2.46 0.12 -4.97 115.29 111.98 3kda s HIS 321 Ca 0.25 1.83 0.13 0.00 0.47 0.00 0.00 55.06 57.73 3kda s HIS 321 Cb -0.01 -3.01 0.10 0.00 -0.13 0.00 0.00 32.58 29.53 3kda s HIS 321 CO 0.13 0.17 0.90 0.72 -2.47 0.00 0.00 174.74 174.19