#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 3.80 0.34 0.00 0.41 -1.26 -4.99 118.70 117.01 3kda s GLU 26 Ca 0.00 0.18 0.17 0.00 -0.41 0.00 0.00 54.97 54.91 3kda s GLU 26 Cb 0.00 -3.24 0.53 0.00 -1.78 0.00 0.00 34.13 29.65 3kda s GLU 26 CO 0.00 0.66 1.66 0.93 -0.49 0.00 0.00 175.26 178.03 3kda h GLU 27 N 5.07 0.00 -3.94 1.61 5.08 -2.00 -3.46 114.58 116.95 3kda h GLU 27 Ca -0.51 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.68 3kda h GLU 27 Cb 1.22 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 3kda h GLU 27 CO 0.62 0.43 -0.67 -0.06 -1.00 0.00 0.00 179.01 178.33 3kda s PHE 28 N -3.48 0.25 0.11 4.33 0.08 -1.26 -4.96 117.98 113.05 3kda s PHE 28 Ca 0.01 -0.51 -0.31 0.00 0.12 0.00 0.00 56.93 56.23 3kda s PHE 28 Cb 0.11 -0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.28 3kda s PHE 28 CO 0.71 -0.21 1.58 -2.14 -0.10 0.00 0.00 175.22 175.05 3kda s PRO 29 N -1.60 4.22 -0.06 0.24 0.02 -1.26 -4.99 135.00 131.57 3kda s PRO 29 Ca -0.14 2.31 -0.25 0.00 0.02 0.00 0.00 61.00 62.93 3kda s PRO 29 Cb -0.09 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 3kda s PRO 29 CO -0.01 -0.65 0.78 0.08 -0.33 0.00 0.00 177.00 176.88 3kda s VAL 30 N 1.84 4.98 0.62 3.83 1.01 -1.26 -5.03 120.40 126.39 3kda s VAL 30 Ca 0.71 1.61 -0.19 0.00 0.00 0.00 0.00 61.98 64.12 3kda s VAL 30 Cb -0.41 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 3kda s VAL 30 CO 0.31 0.20 1.27 -2.84 0.00 0.00 0.00 175.10 174.05 3kda s PRO 31 N 1.03 2.71 0.40 2.72 0.02 -1.26 -4.93 135.00 135.69 3kda s PRO 31 Ca 0.41 2.01 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 3kda s PRO 31 Cb -0.18 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 3kda s PRO 31 CO 0.20 -1.46 1.44 -0.80 -0.33 0.00 0.00 177.00 176.05 3kda s ASN 32 N -1.42 6.18 0.00 2.53 0.01 -1.26 -2.14 114.94 118.84 3kda s ASN 32 Ca 0.80 2.96 0.00 0.00 -0.71 0.00 0.00 52.86 55.91 3kda s ASN 32 Cb -0.36 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.64 3kda s ASN 32 CO 0.38 -0.97 0.00 0.61 -1.51 0.00 0.00 177.10 175.61 3kda n GLY 33 N 0.53 1.04 3.59 0.66 0.00 -1.26 -5.01 105.19 104.74 3kda n GLY 33 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.98 2.63 -0.03 1.61 0.40 -0.91 -4.36 117.98 114.34 3kda s PHE 34 Ca 0.00 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 3kda s PHE 34 Cb 0.00 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 3kda s PHE 34 CO 0.00 0.57 -0.18 -1.83 0.70 0.00 0.00 175.22 174.48 3kda s GLU 35 N -3.19 1.64 -0.12 0.44 -1.05 0.03 -4.83 118.70 111.62 3kda s GLU 35 Ca 0.28 -0.64 -0.24 0.00 -0.15 0.00 0.00 54.97 54.22 3kda s GLU 35 Cb -0.08 -1.51 -0.03 0.00 -0.44 0.00 0.00 34.13 32.08 3kda s GLU 35 CO 0.17 0.33 0.74 0.45 0.95 0.00 0.00 175.26 177.90 3kda s SER 36 N -0.22 6.94 0.37 0.83 0.15 -1.26 -1.42 113.70 119.09 3kda s SER 36 Ca 0.02 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 3kda s SER 36 Cb -0.09 -2.42 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 3kda s SER 36 CO 0.01 -0.23 0.56 0.00 1.20 0.00 0.00 173.24 174.77 3kda s ALA 37 N 1.39 0.53 0.02 5.45 0.00 -0.48 -5.02 121.76 123.65 3kda s ALA 37 Ca 0.37 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3kda s ALA 37 Cb -0.17 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 3kda s ALA 37 CO 0.16 -0.83 -0.03 0.71 0.00 0.00 0.00 175.76 175.76 3kda s TYR 38 N -2.75 0.27 -0.00 0.00 1.51 -1.26 -1.51 117.35 113.61 3kda s TYR 38 Ca 0.28 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 3kda s TYR 38 Cb -0.02 -0.18 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 3kda s TYR 38 CO 0.20 -0.13 -0.02 1.03 -1.11 0.00 0.00 175.55 175.52 3kda s ARG 39 N -1.11 0.14 0.02 -0.62 1.81 -0.56 -4.97 118.95 113.66 3kda s ARG 39 Ca -0.11 -0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.55 3kda s ARG 39 Cb -0.08 -0.15 -0.04 0.00 -0.45 0.00 0.00 34.95 34.23 3kda s ARG 39 CO -0.01 0.02 1.05 -1.21 -0.68 0.00 0.00 175.30 174.48 3kda s GLU 40 N 0.03 4.52 -0.17 3.54 0.41 -1.26 -0.75 118.70 125.02 3kda s GLU 40 Ca -0.00 1.53 -0.01 0.00 -0.41 0.00 0.00 54.97 56.08 3kda s GLU 40 Cb -0.02 -3.42 0.05 0.00 -1.78 0.00 0.00 34.13 28.96 3kda s GLU 40 CO -0.00 -0.11 -0.01 0.08 -0.49 0.00 0.00 175.26 174.73 3kda s VAL 41 N 1.00 0.81 -1.48 2.63 1.01 0.12 -4.82 120.40 119.68 3kda s VAL 41 Ca 0.54 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 3kda s VAL 41 Cb -0.24 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.07 3kda s VAL 41 CO 0.28 -0.00 0.69 0.47 0.00 0.00 0.00 175.10 176.55 3kda n ASP 42 N 4.96 -2.21 0.00 3.32 8.00 -1.26 -1.43 116.55 127.93 3kda n ASP 42 Ca -0.10 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3kda n ASP 42 Cb 0.47 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 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 -1.71 0.59 3.28 0.44 0.00 -1.26 -4.89 105.19 101.64 3kda n GLY 43 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.47 2.91 -0.48 1.61 1.01 -0.51 -4.99 120.40 117.48 3kda s VAL 44 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 3kda s VAL 44 Cb 0.00 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3kda s VAL 44 CO 0.00 0.48 1.04 -0.75 0.00 0.00 0.00 175.10 175.88 3kda s LYS 45 N 1.08 3.61 -0.13 2.72 2.20 -1.26 -0.70 119.74 127.25 3kda s LYS 45 Ca -0.00 0.34 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 3kda s LYS 45 Cb -0.15 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 3kda s LYS 45 CO -0.03 -1.34 0.22 -0.51 -0.36 0.00 0.00 175.35 173.33 3kda s LEU 46 N 4.17 4.32 0.09 5.43 1.43 0.07 -1.12 118.68 133.07 3kda s LEU 46 Ca 0.42 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 3kda s LEU 46 Cb -0.09 -2.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 3kda s LEU 46 CO 0.29 0.26 0.43 -2.28 0.23 0.00 0.00 176.35 175.27 3kda s HIS 47 N -0.29 3.58 0.20 0.29 5.65 -1.26 -1.50 115.29 121.96 3kda s HIS 47 Ca 0.15 0.84 -0.16 0.00 0.25 0.00 0.00 55.06 56.14 3kda s HIS 47 Cb -0.13 -2.20 0.02 0.00 -1.18 0.00 0.00 32.58 29.09 3kda s HIS 47 CO 0.04 0.50 0.49 1.52 -0.65 0.00 0.00 174.74 176.63 3kda s TYR 48 N -1.42 0.01 -0.08 3.88 1.13 -0.57 -0.98 117.35 119.31 3kda s TYR 48 Ca 0.34 -0.36 0.04 0.00 -1.41 0.00 0.00 57.07 55.68 3kda s TYR 48 Cb -0.14 0.31 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3kda s TYR 48 CO 0.18 -0.90 -0.21 0.08 -2.51 0.00 0.00 175.55 172.19 3kda s VAL 49 N -3.90 1.81 0.00 -3.49 1.01 -0.61 -1.38 120.40 113.84 3kda s VAL 49 Ca 0.12 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3kda s VAL 49 Cb -0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3kda s VAL 49 CO -0.01 0.51 -0.03 -0.75 0.00 0.00 0.00 175.10 174.81 3kda s LYS 50 N 0.30 0.25 0.18 2.72 2.20 -0.51 -0.90 119.74 123.99 3kda s LYS 50 Ca -0.14 -0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.03 3kda s LYS 50 Cb -0.16 -0.19 0.06 0.00 -1.51 0.00 0.00 37.83 36.03 3kda s LYS 50 CO 0.06 0.05 0.94 0.20 -0.36 0.00 0.00 175.35 176.24 3kda s GLY 51 N -0.33 -0.16 0.00 5.54 0.00 -0.59 -0.79 107.32 110.99 3kda s GLY 51 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.69 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 -0.50 -3.63 3.17 0.20 0.00 -1.26 -0.10 105.19 103.08 3kda n GLY 52 Ca -0.06 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 3kda n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kda s GLN 53 N -0.92 0.63 0.00 1.61 -2.07 -1.03 -4.59 119.66 113.29 3kda s GLN 53 Ca 0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 3kda s GLN 53 Cb 0.00 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.18 3kda s GLN 53 CO 0.00 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.21 3kda n GLY 54 N 1.01 -0.30 3.72 2.60 0.00 -1.26 -2.55 105.19 108.41 3kda n GLY 54 Ca -0.20 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.24 3kda n GLY 54 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kda s PRO 55 N 0.00 2.10 0.04 1.61 0.02 -1.26 -3.15 135.00 134.37 3kda s PRO 55 Ca 0.00 1.75 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 3kda s PRO 55 Cb 0.00 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 3kda s PRO 55 CO 0.00 -1.86 0.79 -1.17 -0.33 0.00 0.00 177.00 174.43 3kda s LEU 56 N -5.20 4.44 -0.15 -5.54 2.96 -1.26 -0.89 118.68 113.05 3kda s LEU 56 Ca 0.74 1.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3kda s LEU 56 Cb -0.29 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.15 3kda s LEU 56 CO 0.46 -0.01 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.57 3kda s VAL 57 N 0.04 2.05 -0.19 1.68 1.01 0.49 -0.64 120.40 124.85 3kda s VAL 57 Ca 0.40 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3kda s VAL 57 Cb -0.21 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3kda s VAL 57 CO 0.23 0.55 0.10 -0.32 0.00 0.00 0.00 175.10 175.66 3kda s MET 58 N 0.92 4.06 -0.18 2.72 1.75 -0.18 -1.31 119.30 127.09 3kda s MET 58 Ca -0.04 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.10 3kda s MET 58 Cb -0.15 -3.31 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 3kda s MET 58 CO -0.04 0.31 -0.10 -0.51 -0.65 0.00 0.00 175.02 174.02 3kda s LEU 59 N 0.31 2.73 -0.21 4.11 1.43 -0.14 -1.12 118.68 125.79 3kda s LEU 59 Ca 0.06 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3kda s LEU 59 Cb -0.12 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3kda s LEU 59 CO -0.01 0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.78 3kda s VAL 60 N 1.01 2.13 1.10 -1.59 1.01 0.42 -3.74 120.40 120.73 3kda s VAL 60 Ca -0.01 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.56 3kda s VAL 60 Cb -0.15 -2.05 0.24 0.00 0.00 0.00 0.00 36.38 34.43 3kda s VAL 60 CO -0.01 0.29 1.18 -1.38 0.00 0.00 0.00 175.10 175.18 3kda s HIS 61 N 1.21 1.06 0.00 5.22 -3.43 -1.26 -1.67 115.29 116.42 3kda s HIS 61 Ca -0.01 0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 3kda s HIS 61 Cb -0.16 -3.65 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 3kda s HIS 61 CO -0.09 -3.33 0.00 0.41 -2.00 0.00 0.00 174.74 169.72 3kda n GLY 62 N -1.94 6.29 3.77 -1.38 0.00 -1.20 -2.75 105.19 107.98 3kda n GLY 62 Ca 0.13 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 0.64 2.78 0.00 1.61 5.36 -1.26 -2.60 117.98 124.51 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 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 3kda s PHE 63 CO 0.00 -2.37 0.00 0.41 -1.46 0.00 0.00 175.22 171.80 3kda n GLY 64 N 0.64 1.58 1.37 13.12 0.00 -1.26 -4.97 105.19 115.68 3kda n GLY 64 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.43 -2.45 1.61 6.02 -1.07 -4.85 117.38 115.06 3kda n GLN 65 Ca 0.00 -1.42 -0.05 0.00 -0.01 0.00 0.00 57.00 55.52 3kda n GLN 65 Cb 0.00 0.99 -0.01 0.00 1.02 0.00 0.00 30.24 32.24 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 -0.32 0.00 -0.31 5.09 -2.24 -1.26 -4.68 114.28 110.56 3kda n THR 66 Ca 0.01 -0.64 0.35 0.00 -2.27 0.00 0.00 64.05 61.49 3kda n THR 66 Cb 0.25 0.38 0.73 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.35 0.00 0.00 4.78 5.08 -1.86 -2.25 115.95 123.04 3kda h TRP 67 Ca -0.09 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.88 3kda h TRP 67 Cb 0.40 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3kda h TRP 67 CO 0.00 0.00 -0.02 -0.92 -1.28 0.00 0.00 178.44 176.22 3kda h TYR 68 N 0.00 0.00 -0.01 0.12 3.20 -1.94 -1.61 116.97 116.73 3kda h TYR 68 Ca 0.56 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.43 3kda h TYR 68 Cb 2.37 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.64 3kda h TYR 68 CO 0.00 0.02 0.02 1.05 -1.64 0.00 0.00 178.16 177.61 3kda h GLU 69 N 0.00 0.00 -0.29 1.82 4.11 -1.81 -0.69 114.58 117.71 3kda h GLU 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kda h GLU 69 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 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 -3.47 0.38 0.29 2.06 7.02 -0.60 -4.54 117.44 118.58 3kda n TRP 70 Ca -0.03 -0.19 0.18 0.00 -1.02 0.00 0.00 57.50 56.44 3kda n TRP 70 Cb 0.10 0.00 0.87 0.00 -2.42 0.00 0.00 31.31 29.86 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 2.65 0.00 0.11 -5.99 2.07 -1.28 -0.52 115.15 112.19 3kda h HIS 71 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3kda h HIS 71 Cb 0.59 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.56 3kda h HIS 71 CO 0.19 0.03 -1.52 1.96 -3.07 0.00 0.00 177.93 175.53 3kda h GLN 72 N 0.00 0.23 -0.14 5.12 4.20 -1.82 -3.35 115.11 119.35 3kda h GLN 72 Ca -0.00 -0.39 -0.17 0.00 0.06 0.00 0.00 58.65 58.15 3kda h GLN 72 Cb 0.31 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3kda h GLN 72 CO 0.00 1.08 -0.64 1.25 -0.67 0.00 0.00 178.83 179.86 3kda h LEU 73 N 0.06 0.58 -0.20 1.46 5.85 -1.68 -3.38 115.31 118.00 3kda h LEU 73 Ca -0.24 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.19 3kda h LEU 73 Cb 2.00 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.82 3kda h LEU 73 CO 0.16 1.07 -0.11 0.24 -0.34 0.00 0.00 178.44 179.45 3kda h MET 74 N 0.37 -0.09 -0.30 1.25 2.86 -1.25 -0.97 114.93 116.79 3kda h MET 74 Ca -0.01 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3kda h MET 74 Cb 1.20 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 3kda h MET 74 CO 0.12 -0.06 -0.05 -1.35 1.06 0.00 0.00 176.91 176.62 3kda h PRO 75 N -0.10 0.47 -0.23 -0.22 0.11 -1.76 0.19 132.00 130.48 3kda h PRO 75 Ca 0.11 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 3kda h PRO 75 Cb 0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3kda h PRO 75 CO -0.26 0.54 -0.09 0.93 -0.21 0.00 0.00 178.00 178.91 3kda h GLU 76 N 0.45 0.47 -0.13 1.05 5.08 -1.60 -3.04 114.58 116.85 3kda h GLU 76 Ca 0.09 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3kda h GLU 76 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3kda h GLU 76 CO 0.02 0.73 -0.28 1.25 -1.00 0.00 0.00 179.01 179.72 3kda h LEU 77 N 0.19 0.24 -0.19 1.33 5.85 -0.95 -2.92 115.31 118.86 3kda h LEU 77 Ca 0.05 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kda h LEU 77 Cb 0.57 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3kda h LEU 77 CO 0.03 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 3kda n ALA 78 N -2.48 1.41 0.26 1.25 0.00 0.03 -1.39 120.51 119.60 3kda n ALA 78 Ca -0.01 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 3kda n ALA 78 Cb 0.38 -1.19 0.54 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.55 -3.34 116.57 113.24 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 0.03 -0.27 0.54 -0.57 0.00 0.00 179.45 179.18 3kda n ARG 80 N -3.12 3.32 -4.13 3.15 1.74 -0.69 -4.80 116.66 112.13 3kda n ARG 80 Ca 0.01 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 3kda n ARG 80 Cb 0.37 -0.52 -0.10 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.84 0.78 -0.06 -1.55 0.08 -0.49 -0.37 117.98 115.53 3kda s PHE 81 Ca 0.00 -0.86 -0.28 0.00 0.12 0.00 0.00 56.93 55.90 3kda s PHE 81 Cb 0.00 -0.47 -0.02 0.00 -0.57 0.00 0.00 43.02 41.96 3kda s PHE 81 CO 0.00 -0.18 0.92 0.99 -0.10 0.00 0.00 175.22 176.85 3kda s THR 82 N -3.26 4.88 -0.12 0.64 2.01 -0.07 -2.47 115.64 117.25 3kda s THR 82 Ca 0.07 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.98 3kda s THR 82 Cb 0.03 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 3kda s THR 82 CO -0.05 0.11 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.12 3kda s VAL 83 N 1.40 2.55 -0.07 3.82 1.01 0.86 -0.38 120.40 129.59 3kda s VAL 83 Ca 0.47 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3kda s VAL 83 Cb -0.19 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3kda s VAL 83 CO 0.21 0.54 -0.15 -0.51 0.00 0.00 0.00 175.10 175.20 3kda s ILE 84 N 0.41 1.32 -0.34 2.22 2.07 -0.43 -1.55 121.20 124.91 3kda s ILE 84 Ca -0.14 -0.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.54 3kda s ILE 84 Cb -0.17 -1.18 0.10 0.00 0.13 0.00 0.00 42.46 41.34 3kda s ILE 84 CO 0.06 0.40 0.08 0.00 -1.91 0.00 0.00 174.94 173.57 3kda s ALA 85 N 0.60 2.44 0.47 1.50 0.00 -0.08 -0.96 121.76 125.73 3kda s ALA 85 Ca -0.15 -2.28 -0.13 0.00 0.00 0.00 0.00 51.96 49.40 3kda s ALA 85 Cb -0.16 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 3kda s ALA 85 CO 0.05 -1.70 0.88 -1.25 0.00 0.00 0.00 175.76 173.74 3kda s PRO 86 N 1.08 3.84 0.00 0.00 0.04 -1.25 -1.57 135.00 137.14 3kda s PRO 86 Ca 0.11 0.70 -0.27 0.00 0.04 0.00 0.00 61.00 61.57 3kda s PRO 86 Cb -0.19 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3kda s PRO 86 CO -0.13 -0.18 0.87 -0.51 0.04 0.00 0.00 177.00 177.08 3kda s ASP 87 N -3.22 7.26 0.53 6.66 1.01 -0.16 -4.31 116.67 124.44 3kda s ASP 87 Ca 0.55 1.51 -0.22 0.00 0.71 0.00 0.00 52.55 55.10 3kda s ASP 87 Cb -0.10 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3kda s ASP 87 CO 0.33 -0.15 1.21 0.18 0.21 0.00 0.00 175.17 176.95 3kda n LEU 88 N 3.55 4.53 -4.60 1.23 4.77 -1.26 -4.60 117.00 120.62 3kda n LEU 88 Ca 0.02 0.96 -0.54 0.00 -0.03 0.00 0.00 56.01 56.43 3kda n LEU 88 Cb 0.51 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 3kda n LEU 88 CO 0.50 -1.00 0.92 -2.65 -1.33 0.00 0.00 177.39 173.83 3kda n PRO 89 N -0.72 1.01 0.00 3.23 -0.02 -1.26 -0.92 135.00 136.32 3kda n PRO 89 Ca 0.10 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3kda n PRO 89 Cb 0.44 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.63 2.91 3.85 -1.23 0.00 -0.50 -4.64 105.19 108.21 3kda n GLY 90 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 3.53 0.00 0.99 1.43 -0.10 -3.74 118.68 120.79 3kda s LEU 91 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3kda s LEU 91 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3kda s LEU 91 CO 0.00 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.77 3kda n GLY 92 N -1.40 3.17 1.07 -3.19 0.00 -1.26 -1.44 105.19 102.14 3kda n GLY 92 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 3.23 -3.29 1.61 6.02 -1.26 -4.98 117.38 132.72 3kda n GLN 93 Ca 0.00 -2.61 -0.39 0.00 -0.01 0.00 0.00 57.00 53.99 3kda n GLN 93 Cb 0.00 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 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 -1.26 7.05 0.64 1.08 0.01 -0.52 -4.30 113.70 116.41 3kda s SER 94 Ca 0.39 1.24 -0.17 0.00 1.31 0.00 0.00 55.95 58.73 3kda s SER 94 Cb 0.27 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 3kda s SER 94 CO 0.17 0.27 1.19 -1.61 0.41 0.00 0.00 173.24 173.67 3kda s GLU 95 N -1.08 2.71 0.77 12.44 2.02 -0.28 -1.94 118.70 133.34 3kda s GLU 95 Ca 0.29 1.71 -0.15 0.00 0.02 0.00 0.00 54.97 56.84 3kda s GLU 95 Cb -0.19 -1.91 0.06 0.00 0.10 0.00 0.00 34.13 32.18 3kda s GLU 95 CO 0.19 -1.38 1.21 -2.30 0.02 0.00 0.00 175.26 172.99 3kda n PRO 96 N -2.07 0.43 -2.15 0.39 -0.02 -1.26 -1.41 135.00 128.91 3kda n PRO 96 Ca 0.13 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.46 3kda n PRO 96 Cb 0.50 -2.44 0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3kda n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kda s PRO 97 N -3.88 3.51 0.01 0.52 0.04 -1.26 -4.73 135.00 129.22 3kda s PRO 97 Ca 0.76 1.84 0.23 0.00 0.04 0.00 0.00 61.00 63.86 3kda s PRO 97 Cb -0.32 -2.28 0.09 0.00 0.04 0.00 0.00 34.50 32.04 3kda s PRO 97 CO 0.48 -0.77 1.10 1.63 0.04 0.00 0.00 177.00 179.48 3kda n LYS 98 N -0.80 0.11 -0.03 4.56 5.02 -1.26 -4.54 118.16 121.20 3kda n LYS 98 Ca 0.09 -0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.35 3kda n LYS 98 Cb 0.48 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3kda n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kda n THR 99 N -1.66 0.57 -0.85 -0.18 -2.24 -1.26 -5.12 114.28 103.53 3kda n THR 99 Ca 0.04 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 3kda n THR 99 Cb 0.37 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3kda n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kda n GLY 100 N 1.58 -1.13 0.68 3.38 0.00 -1.26 -5.04 105.19 103.40 3kda n GLY 100 Ca -0.04 -0.95 0.07 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 0.01 0.34 -1.44 1.61 4.02 -1.26 -4.24 117.16 116.20 3kda n TYR 101 Ca 0.00 -0.30 -0.33 0.00 -0.01 0.00 0.00 57.90 57.26 3kda n TYR 101 Cb 0.00 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.05 4.51 0.23 7.72 1.04 -1.26 -4.66 113.70 120.23 3kda s SER 102 Ca 0.23 2.05 -0.07 0.00 0.48 0.00 0.00 55.95 58.64 3kda s SER 102 Cb 0.13 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 64.02 3kda s SER 102 CO 0.18 -2.03 1.79 1.23 0.98 0.00 0.00 173.24 175.39 3kda h GLY 103 N -0.55 1.08 1.55 7.32 0.00 -1.86 -0.93 103.07 109.67 3kda h GLY 103 Ca -0.46 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 3kda h GLY 103 CO 0.51 0.09 -0.32 -2.09 0.00 0.00 0.00 176.54 174.73 3kda h GLU 104 N 0.65 0.51 -0.14 4.80 4.81 -1.92 -0.58 114.58 122.73 3kda h GLU 104 Ca 0.35 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3kda h GLU 104 Cb 0.33 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 3kda h GLU 104 CO -0.25 0.78 -0.17 1.96 -0.73 0.00 0.00 179.01 180.60 3kda h GLN 105 N 0.44 0.36 -0.18 1.92 4.20 -1.68 -3.20 115.11 116.96 3kda h GLN 105 Ca 0.05 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 3kda h GLN 105 Cb 0.78 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3kda h GLN 105 CO 0.06 0.77 -0.44 0.28 -0.67 0.00 0.00 178.83 178.83 3kda h VAL 106 N -0.03 1.31 -0.06 -0.54 2.07 -1.08 -2.90 116.25 115.02 3kda h VAL 106 Ca 0.02 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 3kda h VAL 106 Cb 0.72 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3kda h VAL 106 CO 0.04 0.50 0.02 0.00 0.02 0.00 0.00 177.57 178.15 3kda h ALA 107 N 1.17 1.93 -0.57 1.67 0.00 -1.01 -1.37 119.26 121.08 3kda h ALA 107 Ca 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kda h ALA 107 Cb 0.92 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3kda h ALA 107 CO 0.08 0.06 0.34 0.28 0.00 0.00 0.00 179.25 180.01 3kda h VAL 108 N 0.08 1.06 -0.45 0.00 2.07 -1.50 0.84 116.25 118.36 3kda h VAL 108 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kda h VAL 108 Cb 0.02 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3kda h VAL 108 CO -0.00 0.12 0.21 1.88 0.02 0.00 0.00 177.57 179.80 3kda h TYR 109 N 0.68 0.65 -0.41 1.57 0.05 -1.37 -1.06 116.97 117.08 3kda h TYR 109 Ca 0.23 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 3kda h TYR 109 Cb 0.02 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3kda h TYR 109 CO -0.06 0.53 -0.31 -0.07 -1.05 0.00 0.00 178.16 177.20 3kda h LEU 110 N 0.58 0.97 -0.07 3.88 3.38 -1.29 -1.22 115.31 121.53 3kda h LEU 110 Ca 0.15 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kda h LEU 110 Cb 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kda h LEU 110 CO -0.02 1.19 0.03 -0.74 0.09 0.00 0.00 178.44 179.00 3kda h HIS 111 N 0.78 0.11 -0.53 1.13 2.76 -0.68 -1.59 115.15 117.12 3kda h HIS 111 Ca 0.08 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 3kda h HIS 111 Cb 0.89 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 3kda h HIS 111 CO 0.06 0.23 0.05 0.87 -1.30 0.00 0.00 177.93 177.83 3kda h LYS 112 N -0.04 0.88 -0.12 5.26 1.57 -1.15 -1.17 116.57 121.80 3kda h LYS 112 Ca 0.02 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3kda h LYS 112 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3kda h LYS 112 CO -0.00 0.84 0.07 1.25 -0.57 0.00 0.00 179.45 181.04 3kda h LEU 113 N 0.82 0.12 -0.70 2.94 5.85 -1.10 -1.88 115.31 121.36 3kda h LEU 113 Ca 0.16 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3kda h LEU 113 Cb 0.43 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3kda h LEU 113 CO 0.01 0.09 0.43 0.00 -0.34 0.00 0.00 178.44 178.63 3kda h ALA 114 N 1.05 0.94 0.00 1.25 0.00 -0.91 -2.13 119.26 119.46 3kda h ALA 114 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kda h ALA 114 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kda h ALA 114 CO -0.02 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.35 3kda h ARG 115 N 0.81 0.00 -0.05 0.00 3.08 -0.90 0.62 114.38 117.94 3kda h ARG 115 Ca 0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3kda h ARG 115 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kda h ARG 115 CO -0.14 0.04 -0.07 1.96 -1.07 0.00 0.00 179.97 180.69 3kda h GLN 116 N 0.00 0.08 0.00 0.04 4.20 -0.64 -2.45 115.11 116.34 3kda h GLN 116 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3kda h GLN 116 Cb 0.50 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3kda h GLN 116 CO 0.01 0.16 -1.81 1.19 -0.67 0.00 0.00 178.83 177.71 3kda n PHE 117 N -4.40 0.00 -3.13 2.96 3.72 -0.46 -4.65 117.46 111.50 3kda n PHE 117 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 3kda n PHE 117 Cb 0.18 -0.41 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 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 -2.12 1.88 0.20 4.37 2.88 0.08 -4.94 113.62 115.97 3kda n SER 118 Ca -0.04 -3.19 0.06 0.00 -1.33 0.00 0.00 58.87 54.37 3kda n SER 118 Cb 0.47 -0.61 0.43 0.00 -0.75 0.00 0.00 64.21 63.75 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 3.09 0.00 -0.13 -1.46 0.13 -1.69 -3.30 132.00 128.64 3kda h PRO 119 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kda h PRO 119 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3kda h PRO 119 CO 0.59 0.32 0.00 -0.25 -0.23 0.00 0.00 178.00 178.44 3kda n ASP 120 N -3.73 2.21 -3.97 1.44 8.00 -1.26 -4.98 116.55 114.25 3kda n ASP 120 Ca -0.01 -1.64 -0.09 0.00 0.71 0.00 0.00 54.79 53.76 3kda n ASP 120 Cb 0.42 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 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 -0.89 0.33 0.62 -1.24 0.52 -1.24 -5.14 118.95 111.90 3kda s ARG 121 Ca 0.15 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.60 3kda s ARG 121 Cb 0.09 0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 3kda s ARG 121 CO 0.13 -0.06 1.13 -2.14 0.02 0.00 0.00 175.30 174.38 3kda s PRO 122 N -1.47 2.94 0.30 3.54 0.02 -1.26 -4.87 135.00 134.20 3kda s PRO 122 Ca -0.16 1.52 0.11 0.00 0.02 0.00 0.00 61.00 62.49 3kda s PRO 122 Cb -0.10 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 3kda s PRO 122 CO -0.01 -1.16 -0.13 -0.59 -0.33 0.00 0.00 177.00 174.78 3kda s PHE 123 N -2.07 2.39 0.28 6.54 -0.12 0.27 -4.63 117.98 120.64 3kda s PHE 123 Ca 0.70 -0.36 -0.11 0.00 -0.05 0.00 0.00 56.93 57.11 3kda s PHE 123 Cb -0.23 -1.14 -0.08 0.00 -0.63 0.00 0.00 43.02 40.94 3kda s PHE 123 CO 0.36 0.66 0.62 -0.51 -0.05 0.00 0.00 175.22 176.30 3kda s ASP 124 N -3.57 6.65 -0.06 1.98 1.01 0.19 -0.82 116.67 122.06 3kda s ASP 124 Ca 0.31 1.04 0.02 0.00 0.71 0.00 0.00 52.55 54.62 3kda s ASP 124 Cb -0.03 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.64 3kda s ASP 124 CO 0.16 -0.15 -0.09 -0.22 0.21 0.00 0.00 175.17 175.09 3kda s LEU 125 N -2.99 1.48 -0.10 1.23 2.96 -0.70 -1.01 118.68 119.55 3kda s LEU 125 Ca 0.50 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3kda s LEU 125 Cb -0.11 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.94 3kda s LEU 125 CO 0.21 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.37 3kda s VAL 126 N 0.82 1.60 0.02 1.68 1.01 -0.28 -0.50 120.40 124.75 3kda s VAL 126 Ca -0.12 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3kda s VAL 126 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kda s VAL 126 CO 0.02 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.53 3kda s ALA 127 N 0.76 0.31 -0.03 5.51 0.00 -0.15 -0.43 121.76 127.73 3kda s ALA 127 Ca -0.11 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3kda s ALA 127 Cb -0.16 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3kda s ALA 127 CO 0.02 -0.04 -0.17 -1.58 0.00 0.00 0.00 175.76 173.99 3kda s HIS 128 N -0.99 1.61 0.00 0.00 2.46 -0.67 -1.11 115.29 116.59 3kda s HIS 128 Ca -0.08 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.03 3kda s HIS 128 Cb -0.07 -1.07 0.00 0.00 -0.13 0.00 0.00 32.58 31.30 3kda s HIS 128 CO -0.00 -0.12 0.00 -3.47 -2.47 0.00 0.00 174.74 168.68 3kda n ASP 129 N 3.01 0.00 0.00 9.88 -0.08 -0.86 -0.91 116.55 127.59 3kda n ASP 129 Ca -0.17 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.15 3kda n ASP 129 Cb 0.53 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.20 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 1.19 0.04 5.18 -5.35 -1.26 -0.78 119.36 118.38 3kda n ILE 130 Ca 0.00 0.30 0.13 0.00 -0.27 0.00 0.00 62.75 62.91 3kda n ILE 130 Cb 0.00 -1.14 0.60 0.00 -1.74 0.00 0.00 39.64 37.35 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 1.53 0.23 0.85 3.28 0.00 -0.83 -1.48 103.07 106.66 3kda h GLY 131 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3kda h GLY 131 CO 0.00 0.05 0.04 -2.22 0.00 0.00 0.00 176.54 174.40 3kda h ILE 132 N 0.17 1.22 -0.76 2.60 2.04 -1.09 -2.56 117.51 119.14 3kda h ILE 132 Ca 0.19 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3kda h ILE 132 Cb 0.54 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3kda h ILE 132 CO -0.03 0.23 0.50 -0.50 0.00 0.00 0.00 178.15 178.35 3kda h TRP 133 N 0.15 0.86 -0.07 1.37 4.06 -1.45 -1.40 115.95 119.48 3kda h TRP 133 Ca 0.07 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.04 3kda h TRP 133 Cb 0.31 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 3kda h TRP 133 CO 0.02 0.48 0.00 0.09 -3.56 0.00 0.00 178.44 175.47 3kda n ASN 134 N -4.47 1.70 0.00 -3.49 3.02 -0.64 -4.14 115.26 107.24 3kda n ASN 134 Ca 0.10 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3kda n ASN 134 Cb 0.17 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.33 0.00 -0.23 3.41 -2.24 -0.94 -3.02 114.28 111.58 3kda n THR 135 Ca 0.18 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.99 3kda n THR 135 Cb 0.37 -0.59 0.16 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.33 -0.63 4.78 3.20 -1.43 -1.58 116.97 121.65 3kda h TYR 136 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3kda h TYR 136 Cb 0.69 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 3kda h TYR 136 CO 0.00 -0.01 0.24 -1.35 -1.64 0.00 0.00 178.16 175.40 3kda h PRO 137 N 0.33 0.93 0.00 1.82 0.11 -1.84 -0.90 132.00 132.45 3kda h PRO 137 Ca 0.38 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 3kda h PRO 137 Cb 0.58 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3kda h PRO 137 CO -0.43 0.77 -0.53 0.00 -0.21 0.00 0.00 178.00 177.60 3kda h MET 138 N 0.92 0.00 -0.07 1.05 -0.00 -1.64 -1.78 114.93 113.41 3kda h MET 138 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.90 3kda h MET 138 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.79 3kda h MET 138 CO -0.02 0.53 0.00 0.28 -0.00 0.00 0.00 176.91 177.70 3kda h VAL 139 N 0.00 1.24 0.00 -0.10 2.07 -0.74 -1.87 116.25 116.85 3kda h VAL 139 Ca -0.01 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3kda h VAL 139 Cb 1.19 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3kda h VAL 139 CO 0.07 0.21 -0.43 1.62 0.02 0.00 0.00 177.57 179.06 3kda h VAL 140 N -0.15 1.03 0.00 2.57 3.04 -1.11 -2.98 116.25 118.66 3kda h VAL 140 Ca 0.02 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 3kda h VAL 140 Cb 0.32 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3kda h VAL 140 CO 0.00 0.42 -0.69 0.11 -1.01 0.00 0.00 177.57 176.40 3kda h LYS 141 N 0.00 0.00 -1.41 4.17 1.57 -1.33 -3.38 116.57 116.19 3kda h LYS 141 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.33 3kda h LYS 141 Cb 0.92 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.83 3kda h LYS 141 CO 0.06 0.00 -1.08 0.09 -0.57 0.00 0.00 179.45 177.95 3kda n ASN 142 N -2.27 2.10 0.05 0.86 3.02 -0.71 -4.95 115.26 113.36 3kda n ASN 142 Ca 0.03 -3.03 0.03 0.00 -0.03 0.00 0.00 54.58 51.58 3kda n ASN 142 Cb 0.47 -0.54 0.42 0.00 -0.61 0.00 0.00 39.78 39.51 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 2.93 0.43 0.00 3.52 4.20 -1.72 0.32 115.11 124.79 3kda h GLN 143 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kda h GLN 143 Cb 1.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3kda h GLN 143 CO 0.58 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 179.11 3kda h ALA 144 N 1.71 1.00 0.00 3.87 0.00 -1.92 -1.42 119.26 122.49 3kda h ALA 144 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kda h ALA 144 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kda h ALA 144 CO -0.01 0.00 -0.44 -0.25 0.00 0.00 0.00 179.25 178.55 3kda n ASP 145 N -2.70 0.49 -4.26 0.00 9.92 0.10 -4.53 116.55 115.57 3kda n ASP 145 Ca -0.01 0.01 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 3kda n ASP 145 Cb 0.14 0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.55 3kda n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kda s ILE 146 N -3.06 3.27 -0.03 0.53 -1.09 -0.54 -0.56 121.20 119.72 3kda s ILE 146 Ca 0.10 -0.81 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 3kda s ILE 146 Cb 0.16 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 3kda s ILE 146 CO 0.68 0.23 0.22 0.00 -1.23 0.00 0.00 174.94 174.83 3kda h ALA 147 N 8.09 -0.20 -2.96 9.38 0.00 -1.24 -3.46 119.26 128.87 3kda h ALA 147 Ca -0.35 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 3kda h ALA 147 Cb 1.13 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 3kda h ALA 147 CO 0.59 -0.19 -0.74 1.03 0.00 0.00 0.00 179.25 179.93 3kda s ARG 148 N -1.79 0.77 -0.06 0.00 0.52 -1.26 -4.12 118.95 113.01 3kda s ARG 148 Ca -0.02 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.19 3kda s ARG 148 Cb 0.00 -0.53 0.01 0.00 0.52 0.00 0.00 34.95 34.95 3kda s ARG 148 CO 0.05 0.09 -0.13 -1.17 0.02 0.00 0.00 175.30 174.16 3kda s LEU 149 N -2.12 1.73 -0.13 2.53 2.96 -0.49 -1.72 118.68 121.44 3kda s LEU 149 Ca 0.01 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3kda s LEU 149 Cb -0.06 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.80 3kda s LEU 149 CO 0.00 0.06 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.28 3kda s VAL 150 N 0.49 1.42 -0.08 1.68 1.01 0.35 -0.66 120.40 124.61 3kda s VAL 150 Ca -0.12 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3kda s VAL 150 Cb -0.14 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3kda s VAL 150 CO 0.03 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.05 3kda s TYR 151 N 1.47 2.58 -0.01 5.22 2.02 -0.57 -0.98 117.35 127.08 3kda s TYR 151 Ca 0.03 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3kda s TYR 151 Cb -0.13 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 3kda s TYR 151 CO -0.09 -0.15 -0.02 0.00 -1.57 0.00 0.00 175.55 173.72 3kda s MET 152 N -0.12 0.31 -1.16 -0.62 0.23 -0.26 -1.69 119.30 115.99 3kda s MET 152 Ca -0.03 -0.05 -0.06 0.00 -1.03 0.00 0.00 55.69 54.51 3kda s MET 152 Cb -0.14 -0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 32.77 3kda s MET 152 CO 0.04 -0.00 0.86 0.39 -2.03 0.00 0.00 175.02 174.28 3kda n GLU 153 N 3.43 -3.61 -3.64 3.16 -0.58 -0.96 -2.03 120.64 116.42 3kda n GLU 153 Ca -0.18 0.74 -0.04 0.00 -0.42 0.00 0.00 57.16 57.26 3kda n GLU 153 Cb 0.56 -5.39 -0.05 0.00 -0.57 0.00 0.00 31.44 25.98 3kda n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kda s ALA 154 N -3.46 -2.12 0.35 0.62 0.00 -1.26 -2.96 121.76 112.93 3kda s ALA 154 Ca 0.26 1.79 -0.27 0.00 0.00 0.00 0.00 51.96 53.74 3kda s ALA 154 Cb -0.05 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.49 3kda s ALA 154 CO 0.78 -0.21 1.14 -1.25 0.00 0.00 0.00 175.76 176.22 3kda s PRO 155 N -0.65 4.29 0.23 0.00 0.04 -1.26 -4.92 135.00 132.73 3kda s PRO 155 Ca 0.07 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3kda s PRO 155 Cb -0.02 -2.86 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3kda s PRO 155 CO -0.09 -0.11 1.49 0.42 0.04 0.00 0.00 177.00 178.75 3kda s ILE 156 N -1.34 2.59 -0.13 0.56 1.01 -1.26 -4.74 121.20 117.89 3kda s ILE 156 Ca 0.52 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 3kda s ILE 156 Cb -0.31 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3kda s ILE 156 CO 0.39 0.06 2.08 -2.84 0.00 0.00 0.00 174.94 174.64 3kda s PRO 157 N 0.04 3.55 0.22 2.79 0.02 -1.26 -4.89 135.00 135.46 3kda s PRO 157 Ca 0.63 2.21 -0.08 0.00 0.02 0.00 0.00 61.00 63.78 3kda s PRO 157 Cb -0.43 -4.27 0.03 0.00 0.02 0.00 0.00 34.50 29.85 3kda s PRO 157 CO 0.40 -1.62 0.42 -0.40 -0.33 0.00 0.00 177.00 175.47 3kda n ASP 158 N 9.92 -1.23 0.21 2.53 5.68 -1.26 -4.39 116.55 128.02 3kda n ASP 158 Ca 0.25 -1.89 0.15 0.00 -0.50 0.00 0.00 54.79 52.80 3kda n ASP 158 Cb 0.44 2.05 0.73 0.00 -1.14 0.00 0.00 41.12 43.20 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 1.98 1.00 -0.20 2.12 0.00 -1.91 -2.08 119.26 120.17 3kda h ALA 159 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3kda h ALA 159 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kda h ALA 159 CO 0.23 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.63 3kda h ARG 160 N 0.00 0.00 0.00 0.00 3.08 -1.96 -1.98 114.38 113.52 3kda h ARG 160 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kda h ARG 160 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3kda h ARG 160 CO 0.00 0.00 0.00 -0.84 -1.07 0.00 0.00 179.97 178.06 3kda h ILE 161 N 0.00 0.00 -0.01 2.04 3.07 -1.72 -1.76 117.51 119.13 3kda h ILE 161 Ca 0.10 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.22 3kda h ILE 161 Cb 0.40 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3kda h ILE 161 CO -0.00 0.00 -0.02 -1.22 -1.05 0.00 0.00 178.15 175.86 3kda n TYR 162 N -2.83 0.00 0.23 0.16 4.01 -0.75 -3.40 117.16 114.58 3kda n TYR 162 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 3kda n TYR 162 Cb 0.21 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.57 0.52 -1.98 -0.72 1.74 -0.66 -4.94 116.66 110.05 3kda n ARG 163 Ca 0.21 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 3kda n ARG 163 Cb 0.23 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 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 -3.35 2.90 0.45 -1.55 0.08 -1.22 -4.96 117.98 110.33 3kda s PHE 164 Ca -0.01 1.17 -0.21 0.00 0.12 0.00 0.00 56.93 58.00 3kda s PHE 164 Cb 0.12 -3.84 -0.10 0.00 -0.57 0.00 0.00 43.02 38.64 3kda s PHE 164 CO 0.83 -2.55 1.00 -1.25 -0.10 0.00 0.00 175.22 173.15 3kda s PRO 165 N -1.27 4.03 0.33 0.24 0.04 -1.26 -4.96 135.00 132.15 3kda s PRO 165 Ca 0.55 1.28 0.15 0.00 0.04 0.00 0.00 61.00 63.01 3kda s PRO 165 Cb -0.43 -2.19 0.54 0.00 0.04 0.00 0.00 34.50 32.47 3kda s PRO 165 CO 0.52 -0.22 1.69 0.00 0.04 0.00 0.00 177.00 179.02 3kda h ALA 166 N 1.83 1.00 -2.40 8.56 0.00 -1.97 -3.43 119.26 122.86 3kda h ALA 166 Ca -0.49 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 53.88 3kda h ALA 166 Cb 1.20 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 3kda h ALA 166 CO 0.60 0.60 -0.16 0.12 0.00 0.00 0.00 179.25 180.41 3kda s PHE 167 N -3.63 -0.32 0.27 0.00 5.36 -1.26 -4.30 117.98 114.10 3kda s PHE 167 Ca -0.01 0.54 0.06 0.00 -0.96 0.00 0.00 56.93 56.56 3kda s PHE 167 Cb 0.12 0.18 -0.06 0.00 -0.34 0.00 0.00 43.02 42.92 3kda s PHE 167 CO 0.72 -0.43 -0.04 0.95 -1.46 0.00 0.00 175.22 174.96 3kda s THR 168 N -1.18 1.47 -1.22 0.12 -4.23 -0.89 -4.90 115.64 104.80 3kda s THR 168 Ca -0.12 -2.09 0.15 0.00 -1.18 0.00 0.00 61.69 58.45 3kda s THR 168 Cb -0.04 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.54 3kda s THR 168 CO 0.05 -0.28 1.44 0.00 -0.54 0.00 0.00 174.62 175.30 3kda n ALA 169 N -0.56 1.76 0.68 3.99 0.00 -1.26 -2.01 120.51 123.12 3kda n ALA 169 Ca -0.05 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3kda n ALA 169 Cb 0.64 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.39 1.38 0.00 0.00 3.00 -1.26 -5.11 117.38 114.01 3kda n GLN 170 Ca 0.05 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 3kda n GLN 170 Cb 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3kda n GLN 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kda n GLY 171 N 0.97 0.33 3.75 1.08 0.00 -0.85 -5.07 105.19 105.39 3kda n GLY 171 Ca 0.09 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 2.18 -2.28 1.61 0.28 -1.26 -2.09 120.64 119.08 3kda n GLU 172 Ca 0.00 0.78 -0.26 0.00 -0.16 0.00 0.00 57.16 57.52 3kda n GLU 172 Cb 0.00 -2.57 0.09 0.00 1.43 0.00 0.00 31.44 30.40 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 -0.48 4.46 0.16 -1.84 1.04 -1.26 -4.77 113.70 111.01 3kda s SER 173 Ca 0.61 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.13 3kda s SER 173 Cb -0.46 -0.71 0.04 0.00 0.10 0.00 0.00 66.02 64.99 3kda s SER 173 CO 0.58 -1.81 1.63 -0.07 0.98 0.00 0.00 173.24 174.54 3kda h LEU 174 N -0.70 0.91 -3.11 2.42 3.38 -1.93 -3.36 115.31 112.91 3kda h LEU 174 Ca -0.42 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 3kda h LEU 174 Cb 1.29 -0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 3kda h LEU 174 CO 0.51 0.97 -0.72 1.33 0.09 0.00 0.00 178.44 180.62 3kda n VAL 175 N -4.30 1.42 0.24 1.22 0.24 -1.26 -4.67 118.33 111.22 3kda n VAL 175 Ca 0.02 -2.50 0.15 0.00 -2.04 0.00 0.00 64.34 59.97 3kda n VAL 175 Cb 0.30 0.20 0.83 0.00 -1.47 0.00 0.00 33.84 33.70 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 1.10 0.00 0.00 6.34 5.08 -1.84 -1.23 115.95 125.41 3kda h TRP 176 Ca -0.07 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.90 3kda h TRP 176 Cb 1.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.51 3kda h TRP 176 CO 0.55 0.00 -0.00 1.12 -1.28 0.00 0.00 178.44 178.83 3kda h HIS 177 N 0.00 0.00 -0.56 0.12 2.07 -1.89 -2.04 115.15 112.85 3kda h HIS 177 Ca 0.04 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.61 3kda h HIS 177 Cb 0.23 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.16 3kda h HIS 177 CO 0.00 0.00 0.29 0.74 -3.07 0.00 0.00 177.93 175.89 3kda h PHE 178 N 0.00 0.53 -0.14 6.12 -1.00 -1.59 0.14 116.94 121.00 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 0.07 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.47 3kda h PHE 178 CO 0.00 0.26 -0.27 0.77 -1.61 0.00 0.00 178.31 177.46 3kda h SER 179 N 0.56 0.48 -0.29 2.17 0.02 -1.56 -1.74 113.55 113.19 3kda h SER 179 Ca 0.25 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.70 3kda h SER 179 Cb 0.15 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 3kda h SER 179 CO -0.17 0.94 0.01 0.15 -1.14 0.00 0.00 176.83 176.62 3kda h PHE 180 N 0.04 -0.00 -0.02 3.45 3.57 -1.29 -1.17 116.94 121.52 3kda h PHE 180 Ca 0.01 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 3kda h PHE 180 Cb 0.86 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3kda h PHE 180 CO 0.10 -0.04 -0.69 0.74 -2.23 0.00 0.00 178.31 176.19 3kda h PHE 181 N 0.09 0.14 0.00 0.41 0.04 -0.78 -3.16 116.94 113.69 3kda h PHE 181 Ca 0.14 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.85 3kda h PHE 181 Cb 0.18 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3kda h PHE 181 CO -0.21 0.76 -0.08 0.00 -0.60 0.00 0.00 178.31 178.17 3kda h ALA 182 N 1.23 0.95 -2.78 2.45 0.00 -1.08 -3.40 119.26 116.63 3kda h ALA 182 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 3kda h ALA 182 Cb 1.22 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.18 3kda h ALA 182 CO 0.10 0.00 0.06 0.00 0.00 0.00 0.00 179.25 179.40 3kda n ALA 183 N -1.99 -0.07 -1.22 0.00 0.00 -0.46 -4.65 120.51 112.12 3kda n ALA 183 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kda n ALA 183 Cb 0.49 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 -0.85 0.00 -1.31 0.00 5.75 -1.26 -4.31 116.55 114.56 3kda n ASP 184 Ca 0.14 -0.40 -0.16 0.00 -0.01 0.00 0.00 54.79 54.35 3kda n ASP 184 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.50 3kda n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kda n ASP 185 N -1.20 -5.05 -4.08 -1.12 8.00 -1.26 -1.69 116.55 110.15 3kda n ASP 185 Ca 0.00 0.40 -0.31 0.00 0.71 0.00 0.00 54.79 55.59 3kda n ASP 185 Cb 0.00 -4.25 -0.02 0.00 -0.02 0.00 0.00 41.12 36.82 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 -1.77 -3.39 -0.03 -1.24 1.74 -1.26 -4.86 116.66 105.85 3kda n ARG 186 Ca -0.16 0.40 -0.08 0.00 -0.77 0.00 0.00 57.85 57.24 3kda n ARG 186 Cb 0.60 -4.85 -0.02 0.00 -1.02 0.00 0.00 32.46 27.17 3kda n ARG 186 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kda h LEU 187 N -1.71 -0.53 -0.20 0.55 5.85 -1.51 -0.57 115.31 117.19 3kda h LEU 187 Ca -0.61 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3kda h LEU 187 Cb 1.38 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 3kda h LEU 187 CO 0.70 -0.21 -0.04 0.00 -0.34 0.00 0.00 178.44 178.55 3kda h ALA 188 N 0.95 0.28 -0.77 1.25 0.00 -1.86 -1.95 119.26 117.16 3kda h ALA 188 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kda h ALA 188 Cb 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kda h ALA 188 CO -0.31 0.05 0.50 0.93 0.00 0.00 0.00 179.25 180.42 3kda h GLU 189 N 0.11 1.02 -0.55 0.00 3.07 -1.88 -0.39 114.58 115.96 3kda h GLU 189 Ca 0.05 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 3kda h GLU 189 Cb 0.48 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3kda h GLU 189 CO 0.02 0.69 0.04 1.15 -1.40 0.00 0.00 179.01 179.50 3kda h THR 190 N 1.04 1.26 0.02 1.13 2.02 -0.97 -0.41 112.91 117.00 3kda h THR 190 Ca 0.28 -1.05 -0.21 0.00 0.77 0.00 0.00 66.41 66.20 3kda h THR 190 Cb -0.10 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3kda h THR 190 CO -0.06 0.38 -0.93 -0.07 0.37 0.00 0.00 175.52 175.21 3kda h LEU 191 N 0.83 0.28 0.00 2.58 3.38 -1.23 -3.35 115.31 117.80 3kda h LEU 191 Ca 0.16 -0.24 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 3kda h LEU 191 Cb 0.48 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3kda h LEU 191 CO 0.02 1.06 -1.42 0.40 0.09 0.00 0.00 178.44 178.59 3kda h ILE 192 N 0.11 0.92 -2.30 1.22 2.04 -0.99 -3.44 117.51 115.06 3kda h ILE 192 Ca -0.05 -2.63 -0.59 0.00 1.00 0.00 0.00 64.86 62.58 3kda h ILE 192 Cb 1.58 2.40 0.06 0.00 -0.74 0.00 0.00 36.82 40.13 3kda h ILE 192 CO 0.14 0.53 0.73 0.00 0.00 0.00 0.00 178.15 179.55 3kda n ALA 193 N -2.45 1.11 0.00 1.87 0.00 -0.17 -0.21 120.51 120.66 3kda n ALA 193 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kda n ALA 193 Cb 0.96 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 3.08 1.98 1.50 0.00 0.00 -1.26 -4.80 105.19 105.68 3kda n GLY 194 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 0.60 -0.17 1.61 4.76 0.71 -4.92 118.16 118.76 3kda n LYS 195 Ca 0.00 -2.48 -0.09 0.00 -2.87 0.00 0.00 58.31 52.87 3kda n LYS 195 Cb 0.00 -0.55 0.01 0.00 -1.84 0.00 0.00 35.03 32.64 3kda n LYS 195 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kda h GLU 196 N 1.22 0.81 -0.28 1.97 3.07 -1.75 0.01 114.58 119.62 3kda h GLU 196 Ca -0.16 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.44 3kda h GLU 196 Cb 1.65 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 3kda h GLU 196 CO 0.11 0.80 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.38 3kda h ARG 197 N 0.69 0.53 -0.26 2.33 9.65 -1.89 -0.89 114.38 124.54 3kda h ARG 197 Ca 0.15 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3kda h ARG 197 Cb 0.37 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 3kda h ARG 197 CO 0.01 0.72 0.11 0.35 2.80 0.00 0.00 179.97 183.96 3kda h PHE 198 N 0.29 0.20 -0.35 2.20 3.57 -1.91 -1.38 116.94 119.57 3kda h PHE 198 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3kda h PHE 198 Cb 0.51 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3kda h PHE 198 CO 0.05 0.11 0.04 0.35 -2.23 0.00 0.00 178.31 176.62 3kda h PHE 199 N 0.24 0.63 -0.70 0.41 3.57 -0.88 -2.14 116.94 118.08 3kda h PHE 199 Ca 0.11 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3kda h PHE 199 Cb 0.05 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3kda h PHE 199 CO -0.11 0.67 0.22 1.25 -2.23 0.00 0.00 178.31 178.11 3kda h LEU 200 N 0.42 1.00 -0.39 0.59 5.85 -1.02 0.88 115.31 122.64 3kda h LEU 200 Ca 0.10 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kda h LEU 200 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kda h LEU 200 CO 0.01 0.93 0.20 -0.08 -0.34 0.00 0.00 178.44 179.16 3kda h GLU 201 N 1.03 0.56 -0.48 1.25 4.81 -1.15 0.71 114.58 121.31 3kda h GLU 201 Ca 0.23 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3kda h GLU 201 Cb 0.29 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3kda h GLU 201 CO -0.01 0.47 0.26 1.25 -0.73 0.00 0.00 179.01 180.26 3kda h HIS 202 N 0.50 0.67 -0.30 0.92 2.76 -0.80 -1.14 115.15 117.76 3kda h HIS 202 Ca 0.14 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 3kda h HIS 202 Cb 0.09 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3kda h HIS 202 CO -0.02 0.50 0.14 0.35 -1.30 0.00 0.00 177.93 177.60 3kda h PHE 203 N 0.64 0.44 0.17 5.26 3.04 -0.53 0.34 116.94 126.30 3kda h PHE 203 Ca 0.17 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 3kda h PHE 203 Cb 0.06 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.43 3kda h PHE 203 CO -0.02 0.41 -0.08 0.82 -2.02 0.00 0.00 178.31 177.42 3kda h ILE 204 N 0.35 0.93 -0.12 1.41 2.04 -0.79 -2.88 117.51 118.46 3kda h ILE 204 Ca 0.10 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3kda h ILE 204 Cb 0.14 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3kda h ILE 204 CO -0.01 0.11 -0.20 0.11 0.00 0.00 0.00 178.15 178.16 3kda h LYS 205 N -0.46 0.19 0.00 2.37 1.57 -1.14 -1.29 116.57 117.81 3kda h LYS 205 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kda h LYS 205 Cb 0.36 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kda h LYS 205 CO 0.04 0.39 0.00 0.66 -0.57 0.00 0.00 179.45 179.97 3kda h SER 206 N 0.18 0.00 -0.34 0.86 4.64 -0.87 -2.59 113.55 115.43 3kda h SER 206 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3kda h SER 206 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3kda h SER 206 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 3kda n HIS 207 N -2.46 0.52 -4.17 4.77 8.25 -0.54 -4.66 115.22 116.92 3kda n HIS 207 Ca 0.02 -0.54 -0.29 0.00 -0.26 0.00 0.00 57.72 56.65 3kda n HIS 207 Cb 0.26 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.20 3.20 -0.19 -1.41 0.00 -0.87 -1.00 121.76 120.30 3kda s ALA 208 Ca 0.25 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3kda s ALA 208 Cb 0.15 -1.07 -0.21 0.00 0.00 0.00 0.00 23.12 21.98 3kda s ALA 208 CO 0.15 0.62 0.15 0.43 0.00 0.00 0.00 175.76 177.12 3kda n SER 209 N 0.37 2.00 -4.23 0.00 7.64 -1.09 -4.63 113.62 113.68 3kda n SER 209 Ca -0.11 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.59 3kda n SER 209 Cb 0.53 -0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 62.83 3kda n SER 209 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kda s ASN 210 N -6.97 5.92 0.28 6.43 0.01 -1.26 -4.88 114.94 114.46 3kda s ASN 210 Ca -0.28 -2.19 0.22 0.00 -0.71 0.00 0.00 52.86 49.90 3kda s ASN 210 Cb 0.08 -2.06 0.11 0.00 0.41 0.00 0.00 41.25 39.79 3kda s ASN 210 CO 0.66 -0.65 1.24 0.71 -1.51 0.00 0.00 177.10 177.55 3kda h THR 211 N 5.70 0.09 0.00 1.60 1.35 -1.93 -3.35 112.91 116.37 3kda h THR 211 Ca -0.13 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 3kda h THR 211 Cb 1.05 1.76 -0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3kda h THR 211 CO 0.85 0.05 -0.06 -0.08 -0.25 0.00 0.00 175.52 176.03 3kda h GLU 212 N 0.00 0.00 0.00 4.72 4.57 -2.01 -1.45 114.58 120.41 3kda h GLU 212 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3kda h GLU 212 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3kda h GLU 212 CO 0.01 0.06 0.00 -0.24 -1.18 0.00 0.00 179.01 177.66 3kda h VAL 213 N 0.00 0.00 -2.60 0.32 3.04 -1.93 -3.36 116.25 111.72 3kda h VAL 213 Ca -0.00 -0.39 -0.74 0.00 -1.01 0.00 0.00 66.70 64.56 3kda h VAL 213 Cb 0.13 1.31 -0.20 0.00 -2.01 0.00 0.00 31.29 30.52 3kda h VAL 213 CO 0.01 0.00 0.95 -0.36 -1.01 0.00 0.00 177.57 177.16 3kda s PHE 214 N -3.61 3.53 0.83 3.17 0.08 -0.55 -4.99 117.98 116.45 3kda s PHE 214 Ca 0.01 -1.99 -0.11 0.00 0.12 0.00 0.00 56.93 54.96 3kda s PHE 214 Cb 0.09 -4.19 0.09 0.00 -0.57 0.00 0.00 43.02 38.45 3kda s PHE 214 CO 0.49 -1.32 1.10 -1.54 -0.10 0.00 0.00 175.22 173.85 3kda s SER 215 N 2.77 3.92 0.26 1.36 1.04 -1.26 -4.78 113.70 117.01 3kda s SER 215 Ca 0.36 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.58 3kda s SER 215 Cb -0.05 -2.45 0.45 0.00 0.10 0.00 0.00 66.02 64.06 3kda s SER 215 CO -0.05 -2.41 1.84 -0.33 0.98 0.00 0.00 173.24 173.28 3kda h GLU 216 N -1.39 0.97 -0.13 4.02 4.39 -1.95 -0.53 114.58 119.96 3kda h GLU 216 Ca -0.45 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3kda h GLU 216 Cb 1.25 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3kda h GLU 216 CO 0.50 0.64 0.06 -0.09 -1.16 0.00 0.00 179.01 178.96 3kda h ARG 217 N 1.00 0.19 -0.48 2.33 9.65 -1.99 0.47 114.38 125.55 3kda h ARG 217 Ca 0.44 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.29 3kda h ARG 217 Cb 0.33 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3kda h ARG 217 CO -0.22 0.27 0.30 1.25 2.80 0.00 0.00 179.97 184.37 3kda h LEU 218 N 0.06 0.57 -0.92 3.80 5.85 -1.79 -0.71 115.31 122.17 3kda h LEU 218 Ca 0.04 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kda h LEU 218 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kda h LEU 218 CO -0.00 0.45 0.31 -0.07 -0.34 0.00 0.00 178.44 178.78 3kda h LEU 219 N 0.65 1.00 -0.41 2.25 3.38 -1.00 -1.69 115.31 119.49 3kda h LEU 219 Ca 0.17 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3kda h LEU 219 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3kda h LEU 219 CO -0.03 0.88 0.24 0.44 0.09 0.00 0.00 178.44 180.06 3kda h ASP 220 N 1.07 0.40 -0.09 -0.43 3.32 -0.32 -0.14 116.42 120.24 3kda h ASP 220 Ca 0.25 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3kda h ASP 220 Cb 0.18 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kda h ASP 220 CO -0.02 0.29 0.04 -0.07 -1.72 0.00 0.00 179.24 177.75 3kda h LEU 221 N 0.49 0.11 -0.70 1.55 3.38 -0.69 -0.91 115.31 118.56 3kda h LEU 221 Ca 0.16 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3kda h LEU 221 Cb 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kda h LEU 221 CO -0.07 0.21 0.02 1.88 0.09 0.00 0.00 178.44 180.57 3kda h TYR 222 N 0.01 1.11 -0.47 1.13 0.05 -1.23 -2.69 116.97 114.89 3kda h TYR 222 Ca 0.03 -0.18 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 3kda h TYR 222 Cb 0.13 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 3kda h TYR 222 CO -0.03 0.97 -0.02 0.00 -1.05 0.00 0.00 178.16 178.03 3kda h ALA 223 N 1.07 0.63 -0.83 3.88 0.00 -0.87 -2.12 119.26 121.03 3kda h ALA 223 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kda h ALA 223 Cb 0.51 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3kda h ALA 223 CO 0.02 0.46 0.47 0.00 0.00 0.00 0.00 179.25 180.20 3kda h ARG 224 N 0.69 1.14 0.20 0.00 3.08 -1.11 -0.79 114.38 117.60 3kda h ARG 224 Ca 0.13 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3kda h ARG 224 Cb 0.54 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3kda h ARG 224 CO 0.03 0.82 -0.10 1.03 -1.07 0.00 0.00 179.97 180.69 3kda h SER 225 N 1.15 -0.23 0.97 7.04 0.87 -1.18 -3.17 113.55 119.00 3kda h SER 225 Ca 0.29 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3kda h SER 225 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3kda h SER 225 CO -0.05 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.32 3kda n TYR 226 N -5.09 0.07 0.43 2.24 -0.00 -0.82 -2.80 117.16 111.19 3kda n TYR 226 Ca -0.09 0.02 0.13 0.00 -0.00 0.00 0.00 57.90 57.96 3kda n TYR 226 Cb 0.22 -0.54 0.39 0.00 -0.00 0.00 0.00 39.34 39.41 3kda n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kda h ALA 227 N 2.91 1.00 -2.04 -3.48 0.00 -1.12 -1.75 119.26 114.78 3kda h ALA 227 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3kda h ALA 227 Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.33 3kda h ALA 227 CO 0.00 0.00 0.67 1.63 0.00 0.00 0.00 179.25 181.55 3kda n LYS 228 N -2.61 1.77 -0.31 0.00 5.02 -1.12 -4.69 118.16 116.22 3kda n LYS 228 Ca 0.04 0.64 0.07 0.00 -2.02 0.00 0.00 58.31 57.04 3kda n LYS 228 Cb 0.41 -2.36 0.23 0.00 -0.02 0.00 0.00 35.03 33.29 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 5.48 0.69 0.00 1.97 0.11 -1.92 0.19 132.00 138.51 3kda h PRO 229 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3kda h PRO 229 Cb 1.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3kda h PRO 229 CO 0.85 0.46 -0.34 1.12 -0.21 0.00 0.00 178.00 179.88 3kda h HIS 230 N 0.71 0.00 0.11 0.65 2.07 -1.92 -2.08 115.15 114.69 3kda h HIS 230 Ca 0.47 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.73 3kda h HIS 230 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3kda h HIS 230 CO -0.07 0.34 -1.19 0.77 -3.07 0.00 0.00 177.93 174.71 3kda h SER 231 N 0.00 0.43 -0.21 3.10 0.02 -0.86 -1.01 113.55 115.03 3kda h SER 231 Ca -0.00 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 3kda h SER 231 Cb 0.79 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3kda h SER 231 CO 0.04 1.32 0.11 0.25 -1.14 0.00 0.00 176.83 177.41 3kda h LEU 232 N 0.10 0.26 -0.26 5.07 5.85 0.13 -0.85 115.31 125.61 3kda h LEU 232 Ca -0.12 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3kda h LEU 232 Cb 1.90 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 3kda h LEU 232 CO 0.20 0.29 0.11 -1.13 -0.34 0.00 0.00 178.44 177.56 3kda h ASN 233 N 0.22 0.36 -0.81 1.25 -0.73 -1.44 -2.96 115.58 111.46 3kda h ASN 233 Ca 0.07 -0.16 0.09 0.00 1.87 0.00 0.00 56.30 58.17 3kda h ASN 233 Cb 0.09 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 38.52 3kda h ASN 233 CO -0.01 0.42 0.46 0.00 -0.37 0.00 0.00 177.43 177.93 3kda h ALA 234 N 0.95 1.15 -0.67 1.57 0.00 -1.02 -0.68 119.26 120.56 3kda h ALA 234 Ca 0.09 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3kda h ALA 234 Cb 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 3kda h ALA 234 CO -0.01 0.10 0.17 0.77 0.00 0.00 0.00 179.25 180.29 3kda h SER 235 N 0.79 0.06 1.24 0.00 0.02 -0.98 -2.17 113.55 112.51 3kda h SER 235 Ca 0.39 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.34 3kda h SER 235 Cb 0.34 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3kda h SER 235 CO -0.24 0.02 -0.79 -0.26 -1.14 0.00 0.00 176.83 174.42 3kda h PHE 236 N 0.30 0.00 -0.07 3.45 0.04 -1.25 -3.24 116.94 116.16 3kda h PHE 236 Ca 0.36 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 3kda h PHE 236 Cb 0.56 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 3kda h PHE 236 CO -0.24 0.49 0.00 0.93 -0.60 0.00 0.00 178.31 178.90 3kda h GLU 237 N 0.00 0.09 -0.81 1.51 4.39 -0.50 0.44 114.58 119.70 3kda h GLU 237 Ca -0.05 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.66 3kda h GLU 237 Cb 1.42 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 30.01 3kda h GLU 237 CO 0.06 0.10 0.53 1.88 -1.16 0.00 0.00 179.01 180.42 3kda h TYR 238 N 0.09 0.99 0.01 4.33 0.05 -1.54 -1.53 116.97 119.38 3kda h TYR 238 Ca 0.02 0.02 -0.21 0.00 0.05 0.00 0.00 58.73 58.61 3kda h TYR 238 Cb 0.06 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.46 3kda h TYR 238 CO 0.00 0.60 -0.93 1.88 -1.05 0.00 0.00 178.16 178.66 3kda h TYR 239 N 1.05 0.45 0.00 4.88 0.05 -1.14 -2.99 116.97 119.26 3kda h TYR 239 Ca 0.31 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3kda h TYR 239 Cb -0.05 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 3kda h TYR 239 CO -0.00 1.07 -0.08 0.00 -1.05 0.00 0.00 178.16 178.10 3kda h ARG 240 N 0.16 0.00 -0.06 4.88 3.08 -0.74 -1.73 114.38 119.98 3kda h ARG 240 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kda h ARG 240 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.62 3kda h ARG 240 CO 0.15 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 3kda n ALA 241 N -2.17 2.52 -0.18 0.04 0.00 -0.61 -4.57 120.51 115.55 3kda n ALA 241 Ca -0.01 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.79 3kda n ALA 241 Cb 0.27 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 3.24 0.67 -1.00 0.00 5.85 -1.17 -0.24 115.31 122.66 3kda h LEU 242 Ca 0.00 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3kda h LEU 242 Cb 0.69 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3kda h LEU 242 CO 0.00 0.59 0.17 0.78 -0.34 0.00 0.00 178.44 179.64 3kda h ASN 243 N 0.69 0.83 -0.67 1.25 -0.26 -1.80 0.61 115.58 116.23 3kda h ASN 243 Ca 0.18 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3kda h ASN 243 Cb 0.09 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 3kda h ASN 243 CO -0.02 0.79 0.35 -0.08 -1.06 0.00 0.00 177.43 177.41 3kda h GLU 244 N 0.87 0.94 -0.64 0.81 4.81 -1.72 -1.73 114.58 117.92 3kda h GLU 244 Ca 0.19 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kda h GLU 244 Cb 0.27 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3kda h GLU 244 CO -0.01 0.72 0.38 0.77 -0.73 0.00 0.00 179.01 180.15 3kda h SER 245 N 0.92 0.77 -0.51 1.04 0.02 -0.12 0.25 113.55 115.92 3kda h SER 245 Ca 0.23 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3kda h SER 245 Cb 0.07 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 3kda h SER 245 CO -0.03 0.61 0.20 0.58 -1.14 0.00 0.00 176.83 177.05 3kda h VAL 246 N 0.87 0.85 -0.60 2.27 2.07 -0.70 0.67 116.25 121.67 3kda h VAL 246 Ca 0.23 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 3kda h VAL 246 Cb -0.02 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3kda h VAL 246 CO -0.04 0.07 0.11 0.03 0.02 0.00 0.00 177.57 177.76 3kda h ARG 247 N 0.39 0.99 -0.51 1.57 3.08 -0.71 -1.90 114.38 117.29 3kda h ARG 247 Ca 0.24 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3kda h ARG 247 Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3kda h ARG 247 CO -0.23 0.92 0.31 1.96 -1.07 0.00 0.00 179.97 181.86 3kda h GLN 248 N 0.90 0.59 0.00 0.04 4.20 -0.57 -2.86 115.11 117.41 3kda h GLN 248 Ca 0.19 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3kda h GLN 248 Cb 0.40 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3kda h GLN 248 CO 0.01 0.39 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.52 3kda h ASN 249 N 0.61 0.00 -0.49 1.46 2.35 -0.54 -2.16 115.58 116.81 3kda h ASN 249 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3kda h ASN 249 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3kda h ASN 249 CO -0.09 0.13 0.20 0.00 -1.65 0.00 0.00 177.43 176.02 3kda h ALA 250 N 1.87 1.33 0.04 -0.83 0.00 -1.11 0.16 119.26 120.72 3kda h ALA 250 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3kda h ALA 250 Cb 0.69 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3kda h ALA 250 CO 0.02 0.49 -0.44 1.49 0.00 0.00 0.00 179.25 180.81 3kda h GLU 251 N 0.78 0.22 -0.38 0.00 4.57 -1.51 -3.35 114.58 114.91 3kda h GLU 251 Ca 0.18 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3kda h GLU 251 Cb 0.18 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3kda h GLU 251 CO -0.01 1.07 0.15 -0.07 -1.18 0.00 0.00 179.01 178.97 3kda h LEU 252 N -0.48 0.48 0.00 1.64 3.38 -1.14 -2.72 115.31 116.47 3kda h LEU 252 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kda h LEU 252 Cb 1.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3kda h LEU 252 CO 0.09 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3kda n ALA 253 N -2.48 2.25 0.30 1.53 0.00 0.02 -2.11 120.51 120.03 3kda n ALA 253 Ca 0.02 -0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.50 3kda n ALA 253 Cb 0.14 -1.34 0.76 0.00 0.00 0.00 0.00 19.45 19.01 3kda n ALA 253 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kda h LYS 254 N 0.00 0.00 -4.82 0.00 1.57 -1.67 -3.39 116.57 108.27 3kda h LYS 254 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kda h LYS 254 Cb 0.03 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.09 3kda h LYS 254 CO 0.00 0.00 -0.61 0.99 -0.57 0.00 0.00 179.45 179.26 3kda s THR 255 N -3.69 4.11 0.49 -0.16 2.01 -0.90 -5.09 115.64 112.41 3kda s THR 255 Ca -0.00 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 3kda s THR 255 Cb 0.10 -3.09 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 3kda s THR 255 CO 0.42 0.11 1.16 -0.60 -0.69 0.00 0.00 174.62 175.02 3kda s ARG 256 N 1.53 3.59 0.11 4.92 3.52 -1.26 -5.01 118.95 126.36 3kda s ARG 256 Ca 0.03 1.74 -0.30 0.00 -0.13 0.00 0.00 55.73 57.08 3kda s ARG 256 Cb -0.17 -2.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.90 3kda s ARG 256 CO 0.03 -0.68 1.01 -0.51 -0.81 0.00 0.00 175.30 174.34 3kda s LEU 257 N -3.31 4.48 -0.01 -0.88 1.43 0.83 -4.95 118.68 116.27 3kda s LEU 257 Ca 0.67 1.86 0.12 0.00 -1.03 0.00 0.00 54.13 55.75 3kda s LEU 257 Cb -0.28 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.19 3kda s LEU 257 CO 0.33 -0.14 0.34 0.00 0.23 0.00 0.00 176.35 177.11 3kda n GLN 258 N 2.85 1.45 -2.06 1.70 1.13 -1.26 -1.47 117.38 119.72 3kda n GLN 258 Ca 0.03 -0.07 -0.32 0.00 -1.94 0.00 0.00 57.00 54.70 3kda n GLN 258 Cb 0.48 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.53 3.48 0.20 -1.09 0.23 -1.26 -4.70 119.30 113.62 3kda s MET 259 Ca -0.01 1.05 -0.32 0.00 -1.03 0.00 0.00 55.69 55.38 3kda s MET 259 Cb 0.08 -2.06 -0.12 0.00 -1.53 0.00 0.00 34.83 31.19 3kda s MET 259 CO 0.48 -0.67 1.69 -2.30 -2.03 0.00 0.00 175.02 172.19 3kda n PRO 260 N -2.12 2.64 -4.24 3.16 -0.02 -1.26 -4.52 135.00 128.65 3kda n PRO 260 Ca 0.08 0.95 -0.18 0.00 -2.02 0.00 0.00 63.50 62.32 3kda n PRO 260 Cb 0.53 -2.78 -0.13 0.00 -0.02 0.00 0.00 33.50 31.11 3kda n PRO 260 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3kda s THR 261 N 1.05 1.04 -0.02 3.45 -4.23 0.15 -1.40 115.64 115.69 3kda s THR 261 Ca 0.75 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3kda s THR 261 Cb -0.54 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 3kda s THR 261 CO 0.34 -0.14 -0.13 -0.32 -0.54 0.00 0.00 174.62 173.84 3kda s MET 262 N -1.43 1.13 0.04 3.99 1.75 0.17 -1.67 119.30 123.28 3kda s MET 262 Ca -0.01 -0.44 0.05 0.00 -1.25 0.00 0.00 55.69 54.03 3kda s MET 262 Cb -0.09 -1.06 -0.04 0.00 2.84 0.00 0.00 34.83 36.48 3kda s MET 262 CO 0.02 0.23 -0.07 0.95 -0.65 0.00 0.00 175.02 175.49 3kda s THR 263 N -0.12 3.56 0.03 10.11 -4.23 -0.26 -1.51 115.64 123.23 3kda s THR 263 Ca 0.02 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 3kda s THR 263 Cb -0.07 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3kda s THR 263 CO 0.00 0.28 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.44 3kda s LEU 264 N -1.73 2.15 -0.00 4.79 1.43 -0.68 -1.51 118.68 123.13 3kda s LEU 264 Ca 0.19 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 3kda s LEU 264 Cb -0.11 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.38 3kda s LEU 264 CO 0.10 0.09 0.30 0.00 0.23 0.00 0.00 176.35 177.07 3kda s ALA 265 N -0.77 -0.73 0.15 4.21 0.00 -0.70 -2.27 121.76 121.64 3kda s ALA 265 Ca 0.04 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 3kda s ALA 265 Cb -0.08 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 3kda s ALA 265 CO 0.01 -0.28 1.01 0.20 0.00 0.00 0.00 175.76 176.70 3kda s GLY 266 N -1.46 2.96 0.00 0.00 0.00 -1.24 -0.35 107.32 107.24 3kda s GLY 266 Ca -0.12 0.66 0.24 0.00 0.00 0.00 0.00 44.72 45.50 3kda s GLY 266 CO 0.03 1.50 1.24 0.61 0.00 0.00 0.00 173.10 176.48 3kda n GLY 267 N 2.10 -1.17 0.26 0.20 0.00 0.37 -1.17 105.19 105.78 3kda n GLY 267 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 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 1.49 0.94 3.68 -0.02 0.00 0.50 -4.70 105.19 107.08 3kda n GLY 268 Ca 0.05 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.99 1.57 0.00 4.61 0.00 -1.26 -1.72 120.51 120.72 3kda n ALA 269 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3kda n ALA 269 Cb 0.04 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 3.44 2.04 3.93 0.00 0.00 -1.26 -2.68 105.19 110.66 3kda n GLY 270 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.26 1.67 0.23 -0.02 0.00 -0.70 -3.42 107.32 102.82 3kda s GLY 271 Ca 0.00 -0.89 0.24 0.00 0.00 0.00 0.00 44.72 44.07 3kda s GLY 271 CO 0.00 -0.55 1.48 -0.33 0.00 0.00 0.00 173.10 173.70 3kda h MET 272 N -0.35 0.00 0.00 2.90 2.86 -1.85 -3.47 114.93 115.02 3kda h MET 272 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3kda h MET 272 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3kda h MET 272 CO 0.59 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.97 3kda n GLY 273 N 1.25 3.08 0.07 8.32 0.00 -0.32 -2.50 105.19 115.10 3kda n GLY 273 Ca 0.04 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.70 -0.38 2.61 -2.24 -1.26 -3.47 114.28 110.24 3kda n THR 274 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3kda n THR 274 Cb 0.00 -0.90 0.14 0.00 -2.10 0.00 0.00 70.33 67.47 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 1.24 0.18 4.78 3.04 -1.92 -2.15 116.94 122.12 3kda h PHE 275 Ca 0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3kda h PHE 275 Cb 0.43 -0.41 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 3kda h PHE 275 CO 0.00 0.72 -0.21 0.37 -2.02 0.00 0.00 178.31 177.17 3kda h GLN 276 N 1.28 -0.42 -0.38 1.11 5.75 -1.75 -0.43 115.11 120.27 3kda h GLN 276 Ca 0.40 0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.77 3kda h GLN 276 Cb -0.01 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3kda h GLN 276 CO -0.12 -0.28 -0.37 1.25 -2.65 0.00 0.00 178.83 176.66 3kda h LEU 277 N -0.44 0.97 -0.85 -2.39 5.85 -1.79 -2.21 115.31 114.45 3kda h LEU 277 Ca 0.01 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3kda h LEU 277 Cb 0.42 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3kda h LEU 277 CO -0.07 1.23 0.27 -0.33 -0.34 0.00 0.00 178.44 179.20 3kda h GLU 278 N 0.75 1.12 -0.23 1.25 4.39 -1.10 -0.93 114.58 119.83 3kda h GLU 278 Ca 0.07 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3kda h GLU 278 Cb 0.96 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3kda h GLU 278 CO 0.09 0.93 0.03 0.37 -1.16 0.00 0.00 179.01 179.27 3kda h GLN 279 N 1.09 0.39 -0.09 2.33 4.15 -1.07 -3.20 115.11 118.71 3kda h GLN 279 Ca 0.25 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3kda h GLN 279 Cb 0.24 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3kda h GLN 279 CO -0.02 0.53 -0.04 1.98 -1.93 0.00 0.00 178.83 179.36 3kda h MET 280 N 0.19 0.13 -0.25 1.69 4.05 -0.82 -0.30 114.93 119.62 3kda h MET 280 Ca 0.07 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 3kda h MET 280 Cb 0.33 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 3kda h MET 280 CO 0.01 0.18 0.20 0.87 0.23 0.00 0.00 176.91 178.39 3kda h LYS 281 N 0.13 0.00 0.00 0.39 1.57 -1.18 0.18 116.57 117.66 3kda h LYS 281 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kda h LYS 281 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kda h LYS 281 CO 0.01 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.88 3kda h ALA 282 N 1.84 0.99 0.00 3.86 0.00 -1.15 -3.35 119.26 121.46 3kda h ALA 282 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3kda h ALA 282 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3kda h ALA 282 CO -0.00 0.00 -1.97 0.66 0.00 0.00 0.00 179.25 177.94 3kda n TYR 283 N -2.34 0.00 -5.00 0.00 4.02 0.26 -5.01 117.16 109.08 3kda n TYR 283 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.67 3kda n TYR 283 Cb 0.44 -0.70 -0.16 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.35 1.75 0.15 -0.72 0.00 0.38 -0.12 121.76 120.85 3kda s ALA 284 Ca -0.07 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3kda s ALA 284 Cb 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3kda s ALA 284 CO 0.58 0.37 1.37 1.49 0.00 0.00 0.00 175.76 179.57 3kda h GLU 285 N 5.94 0.48 -3.26 0.00 4.57 -1.57 -3.41 114.58 117.33 3kda h GLU 285 Ca -0.35 -0.43 -0.63 0.00 -1.18 0.00 0.00 59.36 56.76 3kda h GLU 285 Cb 1.16 0.10 -0.41 0.00 -0.16 0.00 0.00 28.75 29.44 3kda h GLU 285 CO 0.48 1.07 -0.63 0.34 -1.18 0.00 0.00 179.01 179.08 3kda s ASP 286 N -7.04 4.31 -0.01 1.04 2.15 -1.26 -5.07 116.67 110.79 3kda s ASP 286 Ca -0.07 -3.15 0.01 0.00 0.43 0.00 0.00 52.55 49.77 3kda s ASP 286 Cb 0.10 -1.56 0.00 0.00 -0.30 0.00 0.00 42.92 41.16 3kda s ASP 286 CO 0.86 -0.20 -0.03 0.54 -0.17 0.00 0.00 175.17 176.17 3kda s VAL 287 N -0.47 0.28 0.13 1.11 0.11 -1.26 -0.68 120.40 119.63 3kda s VAL 287 Ca 0.19 -0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.21 3kda s VAL 287 Cb -0.21 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3kda s VAL 287 CO -0.04 0.10 -0.19 -1.83 -3.33 0.00 0.00 175.10 169.82 3kda s GLU 288 N 0.20 1.16 0.05 1.54 -1.05 -0.67 -5.00 118.70 114.94 3kda s GLU 288 Ca -0.02 -1.26 -0.00 0.00 -0.15 0.00 0.00 54.97 53.54 3kda s GLU 288 Cb -0.05 -1.31 -0.04 0.00 -0.44 0.00 0.00 34.13 32.30 3kda s GLU 288 CO -0.00 0.28 -0.04 0.20 0.95 0.00 0.00 175.26 176.65 3kda s GLY 289 N -2.25 0.50 0.01 -3.83 0.00 -1.26 -1.10 107.32 99.38 3kda s GLY 289 Ca 0.10 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.68 3kda s GLY 289 CO 0.05 -1.26 -0.05 0.30 0.00 0.00 0.00 173.10 172.14 3kda s HIS 290 N -3.56 0.46 -0.16 1.90 3.76 -0.57 -4.95 115.29 112.18 3kda s HIS 290 Ca 0.05 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3kda s HIS 290 Cb 0.05 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.43 3kda s HIS 290 CO -0.08 -0.03 -0.07 0.08 -0.85 0.00 0.00 174.74 173.79 3kda s VAL 291 N -0.39 3.48 -0.48 -0.90 1.01 -1.26 -1.72 120.40 120.13 3kda s VAL 291 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3kda s VAL 291 Cb -0.04 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 33.91 3kda s VAL 291 CO -0.00 0.49 0.43 -0.76 0.00 0.00 0.00 175.10 175.26 3kda s LEU 292 N 0.55 5.62 0.53 3.92 1.02 0.53 -4.80 118.68 126.06 3kda s LEU 292 Ca -0.05 -1.34 -0.22 0.00 0.02 0.00 0.00 54.13 52.54 3kda s LEU 292 Cb -0.15 -2.21 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 3kda s LEU 292 CO 0.03 -0.70 1.37 -2.84 0.02 0.00 0.00 176.35 174.24 3kda s PRO 293 N 1.74 3.21 0.00 1.29 0.02 -1.26 -0.48 135.00 139.52 3kda s PRO 293 Ca 0.05 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3kda s PRO 293 Cb -0.24 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 31.96 3kda s PRO 293 CO 0.07 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 3kda n GLY 294 N 0.71 0.62 3.15 0.52 0.00 -1.26 -4.84 105.19 104.08 3kda n GLY 294 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 2.49 1.58 0.10 0.00 0.00 -1.26 -0.37 105.19 107.73 3kda n GLY 296 Ca -0.15 -1.47 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 0.11 -1.80 1.61 2.76 -1.09 -3.30 115.15 113.44 3kda h HIS 297 Ca 0.00 -0.06 -0.77 0.00 -2.20 0.00 0.00 60.37 57.33 3kda h HIS 297 Cb 0.00 -0.01 -0.20 0.00 1.55 0.00 0.00 27.41 28.75 3kda h HIS 297 CO 0.00 0.91 1.69 0.91 -1.30 0.00 0.00 177.93 180.14 3kda n TRP 298 N -3.57 2.64 -0.21 5.26 7.02 -1.26 -4.84 117.44 122.48 3kda n TRP 298 Ca -0.02 -2.70 0.00 0.00 -1.02 0.00 0.00 57.50 53.77 3kda n TRP 298 Cb 0.82 -1.59 0.12 0.00 -2.42 0.00 0.00 31.31 28.23 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 5.70 0.29 -1.96 -0.99 3.38 -1.95 0.17 115.31 119.95 3kda h LEU 299 Ca 0.50 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 3kda h LEU 299 Cb 0.43 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kda h LEU 299 CO 1.41 0.17 0.01 -0.65 0.09 0.00 0.00 178.44 179.47 3kda h PRO 300 N 0.46 0.03 0.03 1.13 0.11 -1.87 -1.06 132.00 130.84 3kda h PRO 300 Ca 0.32 -0.00 -0.38 0.00 0.11 0.00 0.00 66.00 66.05 3kda h PRO 300 Cb 0.38 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 3kda h PRO 300 CO -0.29 0.03 -2.18 0.39 -0.21 0.00 0.00 178.00 175.74 3kda n GLU 301 N -4.53 0.65 -0.07 1.05 4.71 -0.79 -3.67 120.64 118.00 3kda n GLU 301 Ca -0.03 0.27 -0.05 0.00 -0.01 0.00 0.00 57.16 57.35 3kda n GLU 301 Cb 0.09 -1.60 0.15 0.00 -1.01 0.00 0.00 31.44 29.07 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 -0.36 0.71 -1.31 3.49 5.08 -0.66 -3.34 114.58 118.19 3kda h GLU 302 Ca -0.53 -0.24 -0.40 0.00 -1.00 0.00 0.00 59.36 57.20 3kda h GLU 302 Cb 1.78 -0.06 -0.37 0.00 0.50 0.00 0.00 28.75 30.60 3kda h GLU 302 CO -0.14 0.81 -1.10 0.00 -1.00 0.00 0.00 179.01 177.58 3kda h ALA 304 N 2.94 0.41 0.46 0.00 0.00 -1.62 -1.77 119.26 119.67 3kda h ALA 304 Ca -0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kda h ALA 304 Cb 1.09 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kda h ALA 304 CO 0.44 -0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.15 3kda h ALA 305 N 1.29 -0.61 -0.22 0.00 0.00 -1.90 0.15 119.26 117.96 3kda h ALA 305 Ca 0.18 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kda h ALA 305 Cb 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kda h ALA 305 CO -0.24 -0.73 -0.28 -1.00 0.00 0.00 0.00 179.25 177.00 3kda h PRO 306 N -0.85 0.42 -0.43 0.00 0.13 -1.97 -1.03 132.00 128.29 3kda h PRO 306 Ca -0.06 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3kda h PRO 306 Cb 0.57 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3kda h PRO 306 CO 0.10 0.67 0.17 1.98 -0.23 0.00 0.00 178.00 180.70 3kda h MET 307 N 0.37 0.63 -0.33 0.86 4.05 -1.25 -0.70 114.93 118.57 3kda h MET 307 Ca 0.05 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3kda h MET 307 Cb 0.69 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3kda h MET 307 CO 0.05 0.58 0.18 -0.91 0.23 0.00 0.00 176.91 177.04 3kda h ASN 308 N 0.55 0.28 -0.25 1.39 2.35 -0.39 -1.44 115.58 118.05 3kda h ASN 308 Ca 0.14 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3kda h ASN 308 Cb 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3kda h ASN 308 CO -0.01 0.20 0.14 -0.09 -1.65 0.00 0.00 177.43 176.02 3kda h ARG 309 N 0.37 0.27 -0.62 0.81 9.65 -1.00 -0.11 114.38 123.74 3kda h ARG 309 Ca 0.13 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3kda h ARG 309 Cb 0.03 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3kda h ARG 309 CO -0.08 0.18 0.35 -0.07 2.80 0.00 0.00 179.97 183.16 3kda h LEU 310 N 0.28 0.77 0.02 3.80 3.38 -0.89 -0.65 115.31 122.02 3kda h LEU 310 Ca 0.10 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kda h LEU 310 Cb 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kda h LEU 310 CO -0.06 0.63 -0.01 0.58 0.09 0.00 0.00 178.44 179.68 3kda h VAL 311 N 0.85 1.15 -0.42 1.22 2.07 -1.10 -1.81 116.25 118.20 3kda h VAL 311 Ca 0.22 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kda h VAL 311 Cb 0.02 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3kda h VAL 311 CO -0.04 0.13 0.25 0.40 0.02 0.00 0.00 177.57 178.33 3kda h ILE 312 N -0.25 1.14 -0.31 4.57 2.04 -0.82 -0.98 117.51 122.90 3kda h ILE 312 Ca -0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kda h ILE 312 Cb 0.24 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kda h ILE 312 CO 0.00 0.14 0.19 -0.78 0.00 0.00 0.00 178.15 177.70 3kda h ASP 313 N 0.55 0.37 -0.65 1.72 3.58 -1.15 -0.35 116.42 120.49 3kda h ASP 313 Ca 0.15 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 3kda h ASP 313 Cb 0.01 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3kda h ASP 313 CO -0.03 0.31 0.31 0.15 -2.88 0.00 0.00 179.24 177.10 3kda h PHE 314 N 0.40 0.93 0.00 0.28 3.57 -0.96 -2.64 116.94 118.51 3kda h PHE 314 Ca 0.11 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 3kda h PHE 314 Cb 0.01 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3kda h PHE 314 CO -0.04 0.70 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.22 3kda h LEU 315 N 0.89 0.00 -0.06 0.59 3.38 -1.04 -3.12 115.31 115.95 3kda h LEU 315 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kda h LEU 315 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kda h LEU 315 CO -0.03 0.44 -0.02 -1.20 0.09 0.00 0.00 178.44 177.72 3kda n SER 316 N -3.42 0.11 0.26 -0.43 7.64 -0.16 -2.30 113.62 115.33 3kda n SER 316 Ca 0.00 -0.46 0.17 0.00 1.01 0.00 0.00 58.87 59.59 3kda n SER 316 Cb 0.60 -0.17 0.67 0.00 -1.01 0.00 0.00 64.21 64.30 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 0.15 0.00 -6.82 1.43 3.08 -1.46 -3.45 114.38 107.31 3kda h ARG 317 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3kda h ARG 317 Cb 0.23 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.33 3kda h ARG 317 CO 0.00 0.00 -0.04 0.20 -1.07 0.00 0.00 179.97 179.06 3kda s GLY 318 N -4.10 1.80 0.14 0.04 0.00 -0.97 -5.02 107.32 99.21 3kda s GLY 318 Ca 0.01 -1.71 -0.32 0.00 0.00 0.00 0.00 44.72 42.71 3kda s GLY 318 CO 0.52 -1.30 1.76 0.54 0.00 0.00 0.00 173.10 174.62 3kda n ARG 319 N -2.41 2.64 -4.11 2.90 1.74 -1.26 -4.97 116.66 111.19 3kda n ARG 319 Ca 0.12 0.96 -0.14 0.00 -0.77 0.00 0.00 57.85 58.02 3kda n ARG 319 Cb 0.60 -2.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.18 3kda n ARG 319 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kda s HIS 320 N 2.02 1.07 -0.19 -1.55 -3.43 -1.26 -4.78 115.29 107.17 3kda s HIS 320 Ca 0.80 -1.28 -0.29 0.00 -0.80 0.00 0.00 55.06 53.49 3kda s HIS 320 Cb -0.54 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.46 3kda s HIS 320 CO 0.37 -1.05 1.04 -1.58 -2.00 0.00 0.00 174.74 171.51 3kda s HIS 321 N -3.29 3.37 -2.80 0.38 2.46 0.50 -4.96 115.29 110.95 3kda s HIS 321 Ca 0.31 1.49 0.26 0.00 0.47 0.00 0.00 55.06 57.59 3kda s HIS 321 Cb 0.00 -3.26 0.53 0.00 -0.13 0.00 0.00 32.58 29.73 3kda s HIS 321 CO 0.19 -0.46 1.45 0.72 -2.47 0.00 0.00 174.74 174.18