#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgl n PRO 4 N 0.00 1.36 -0.89 -7.13 -0.04 -1.26 -4.86 135.00 122.19 3kgl n PRO 4 Ca 0.00 -0.64 -0.01 0.00 -0.04 0.00 0.00 63.50 62.82 3kgl n PRO 4 Cb 0.00 -1.29 0.17 0.00 -0.04 0.00 0.00 33.50 32.34 3kgl n PRO 4 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kgl n ASN 5 N 1.17 2.40 0.00 3.54 4.13 -1.26 -4.83 115.26 120.41 3kgl n ASN 5 Ca 0.14 -3.87 0.00 0.00 1.68 0.00 0.00 54.58 52.52 3kgl n ASN 5 Cb 0.55 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 3kgl n ASN 5 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3kgl n GLU 6 N -1.04 0.00 -0.14 3.52 0.28 -1.26 -0.58 120.64 121.42 3kgl n GLU 6 Ca 0.25 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.28 3kgl n GLU 6 Cb 0.76 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 32.18 3kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kgl s GLN 8 N -1.05 3.52 -0.19 0.00 2.00 0.25 -4.96 119.66 119.24 3kgl s GLN 8 Ca 0.09 -1.39 -0.03 0.00 -2.00 0.00 0.00 55.36 52.02 3kgl s GLN 8 Cb 0.08 -5.39 -0.02 0.00 0.80 0.00 0.00 33.01 28.48 3kgl s GLN 8 CO 0.01 -2.54 -0.04 -0.51 -0.50 0.00 0.00 175.29 171.70 3kgl s LEU 9 N 5.86 3.04 0.00 3.68 1.02 -1.26 -4.96 118.68 126.06 3kgl s LEU 9 Ca 0.54 -0.27 0.18 0.00 0.02 0.00 0.00 54.13 54.60 3kgl s LEU 9 Cb 0.01 -1.75 -0.19 0.00 0.02 0.00 0.00 46.19 44.28 3kgl s LEU 9 CO 0.01 0.08 0.77 0.47 0.02 0.00 0.00 176.35 177.69 3kgl n ASP 10 N 4.16 0.88 -3.63 2.29 8.00 -1.26 -4.96 116.55 122.03 3kgl n ASP 10 Ca -0.18 -0.94 -0.05 0.00 0.71 0.00 0.00 54.79 54.34 3kgl n ASP 10 Cb 0.52 0.98 -0.06 0.00 -0.02 0.00 0.00 41.12 42.53 3kgl n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3kgl s GLN 11 N -2.66 0.56 0.34 -1.24 0.74 -1.26 -4.58 119.66 111.56 3kgl s GLN 11 Ca 0.07 1.02 0.07 0.00 0.05 0.00 0.00 55.36 56.57 3kgl s GLN 11 Cb 0.14 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 3kgl s GLN 11 CO 0.72 -0.13 0.29 -0.51 -0.55 0.00 0.00 175.29 175.12 3kgl s LEU 12 N 1.65 3.59 -0.18 3.68 1.43 0.29 -4.87 118.68 124.27 3kgl s LEU 12 Ca -0.09 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.42 3kgl s LEU 12 Cb -0.05 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 44.03 3kgl s LEU 12 CO -0.18 -0.36 0.41 0.20 0.23 0.00 0.00 176.35 176.65 3kgl s ASN 13 N -4.00 -0.45 -0.35 2.29 0.02 -1.26 -4.67 114.94 106.52 3kgl s ASN 13 Ca 0.41 0.91 -0.39 0.00 -1.02 0.00 0.00 52.86 52.77 3kgl s ASN 13 Cb -0.06 0.90 -0.14 0.00 0.02 0.00 0.00 41.25 41.96 3kgl s ASN 13 CO 0.27 -0.20 2.00 0.00 0.02 0.00 0.00 177.10 179.19 3kgl n ALA 14 N 4.52 0.42 -2.86 0.60 0.00 -1.26 -4.75 120.51 117.18 3kgl n ALA 14 Ca -0.20 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 3kgl n ALA 14 Cb 0.54 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 3kgl n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kgl s LEU 15 N 5.60 3.98 0.19 0.00 1.43 0.46 -4.81 118.68 125.52 3kgl s LEU 15 Ca 1.07 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3kgl s LEU 15 Cb -1.06 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3kgl s LEU 15 CO 0.59 0.01 0.10 -1.61 0.23 0.00 0.00 176.35 175.67 3kgl s GLU 16 N -3.49 1.17 0.64 1.70 2.02 -1.26 -0.91 118.70 118.56 3kgl s GLU 16 Ca 0.33 -1.60 -0.18 0.00 0.02 0.00 0.00 54.97 53.54 3kgl s GLU 16 Cb -0.09 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.23 3kgl s GLU 16 CO 0.26 -0.32 0.97 -2.30 0.02 0.00 0.00 175.26 173.89 3kgl n PRO 17 N -0.26 0.80 0.00 0.39 -0.02 -1.26 -4.62 135.00 130.02 3kgl n PRO 17 Ca -0.01 0.32 0.02 0.00 -2.02 0.00 0.00 63.50 61.82 3kgl n PRO 17 Cb 0.65 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 3kgl n PRO 17 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kgl n SER 18 N -1.06 1.01 -3.69 2.55 7.64 0.58 -4.89 113.62 115.77 3kgl n SER 18 Ca 0.14 -1.01 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 3kgl n SER 18 Cb 0.48 0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.93 3kgl n SER 18 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3kgl s HIS 19 N -0.77 -0.65 -0.03 1.43 3.76 -0.99 -4.97 115.29 113.06 3kgl s HIS 19 Ca 0.05 1.43 0.07 0.00 -0.15 0.00 0.00 55.06 56.45 3kgl s HIS 19 Cb 0.04 0.30 -0.02 0.00 1.11 0.00 0.00 32.58 34.01 3kgl s HIS 19 CO 0.11 -0.34 -0.25 0.08 -0.85 0.00 0.00 174.74 173.48 3kgl s VAL 20 N 1.04 2.01 -0.29 -0.90 1.01 -1.26 -1.44 120.40 120.57 3kgl s VAL 20 Ca -0.06 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 3kgl s VAL 20 Cb -0.06 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3kgl s VAL 20 CO -0.09 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 3kgl s LEU 21 N -0.44 3.71 -0.26 3.92 1.43 -0.29 -4.96 118.68 121.78 3kgl s LEU 21 Ca 0.05 -0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 3kgl s LEU 21 Cb -0.11 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3kgl s LEU 21 CO 0.01 -0.19 0.56 -0.54 0.23 0.00 0.00 176.35 176.41 3kgl s LYS 22 N 1.42 4.09 0.26 1.70 1.02 -1.26 -1.13 119.74 125.84 3kgl s LYS 22 Ca 0.01 0.41 0.09 0.00 0.02 0.00 0.00 55.97 56.50 3kgl s LYS 22 Cb -0.17 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3kgl s LYS 22 CO 0.00 -0.36 0.01 0.00 -0.92 0.00 0.00 175.35 174.08 3kgl s ALA 23 N 2.34 3.19 0.23 5.17 0.00 0.21 -4.65 121.76 128.26 3kgl s ALA 23 Ca 0.23 -1.63 -0.07 0.00 0.00 0.00 0.00 51.96 50.49 3kgl s ALA 23 Cb -0.16 -0.81 0.40 0.00 0.00 0.00 0.00 23.12 22.56 3kgl s ALA 23 CO 0.09 0.27 1.68 1.49 0.00 0.00 0.00 175.76 179.29 3kgl h GLU 24 N 1.89 0.22 -0.05 0.00 4.81 0.30 -2.97 114.58 118.77 3kgl h GLU 24 Ca -0.45 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3kgl h GLU 24 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3kgl h GLU 24 CO 0.60 0.14 -0.27 0.00 -0.73 0.00 0.00 179.01 178.76 3kgl n ALA 25 N -2.70 3.26 0.00 2.92 0.00 0.22 -4.78 120.51 119.42 3kgl n ALA 25 Ca 0.12 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.54 3kgl n ALA 25 Cb 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kgl n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 26 N -1.19 -1.67 3.03 0.00 0.00 -1.12 -1.94 105.19 102.29 3kgl n GLY 26 Ca 0.20 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 3kgl n GLY 26 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kgl s ARG 27 N -1.52 0.47 -0.32 1.61 1.70 -1.04 0.67 118.95 120.52 3kgl s ARG 27 Ca 0.00 -0.61 -0.10 0.00 -0.47 0.00 0.00 55.73 54.55 3kgl s ARG 27 Cb 0.00 -0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.12 3kgl s ARG 27 CO 0.00 0.05 0.16 0.42 -1.08 0.00 0.00 175.30 174.85 3kgl s ILE 28 N -1.12 4.63 -0.29 4.99 1.09 -0.28 -1.51 121.20 128.70 3kgl s ILE 28 Ca -0.08 -0.44 -0.06 0.00 -1.10 0.00 0.00 60.65 58.97 3kgl s ILE 28 Cb -0.08 -3.37 0.02 0.00 -1.06 0.00 0.00 42.46 37.96 3kgl s ILE 28 CO 0.00 0.05 0.06 -1.61 -0.10 0.00 0.00 174.94 173.33 3kgl s GLU 29 N 1.61 2.94 -0.11 2.79 2.02 0.88 -1.14 118.70 127.69 3kgl s GLU 29 Ca 0.04 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.08 3kgl s GLU 29 Cb -0.17 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3kgl s GLU 29 CO 0.06 -0.48 -0.08 0.14 0.02 0.00 0.00 175.26 174.92 3kgl s VAL 30 N 1.44 3.50 0.71 2.63 -7.23 -0.52 0.54 120.40 121.47 3kgl s VAL 30 Ca 0.01 -0.52 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 3kgl s VAL 30 Cb -0.18 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 3kgl s VAL 30 CO 0.01 0.54 1.07 0.26 -0.31 0.00 0.00 175.10 176.68 3kgl s TRP 31 N -0.05 3.22 -0.31 2.82 0.51 -0.10 -0.30 118.94 124.73 3kgl s TRP 31 Ca -0.01 1.21 -0.25 0.00 -2.12 0.00 0.00 56.10 54.93 3kgl s TRP 31 Cb -0.14 -2.97 0.00 0.00 -0.81 0.00 0.00 33.47 29.56 3kgl s TRP 31 CO 0.03 -1.24 0.85 0.34 -0.51 0.00 0.00 176.95 176.43 3kgl s ASP 32 N -4.08 6.71 0.00 2.95 2.15 -1.26 -4.65 116.67 118.49 3kgl s ASP 32 Ca 0.58 0.73 0.19 0.00 0.43 0.00 0.00 52.55 54.48 3kgl s ASP 32 Cb -0.13 -2.44 0.52 0.00 -0.30 0.00 0.00 42.92 40.58 3kgl s ASP 32 CO 0.54 -0.68 1.43 0.00 -0.17 0.00 0.00 175.17 176.29 3kgl n HIS 33 N 6.36 0.55 1.25 -5.34 1.44 -1.26 -2.72 115.22 115.50 3kgl n HIS 33 Ca 0.05 -0.27 0.13 0.00 -2.01 0.00 0.00 57.72 55.62 3kgl n HIS 33 Cb 0.48 0.00 0.32 0.00 0.12 0.00 0.00 29.99 30.91 3kgl n HIS 33 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3kgl n HIS 34 N 1.00 0.00 -1.88 -1.40 8.25 -1.26 -4.00 115.22 115.92 3kgl n HIS 34 Ca 0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3kgl n HIS 34 Cb 0.46 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 3kgl n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kgl s ALA 35 N -2.24 3.76 0.22 -1.41 0.00 -1.10 -4.79 121.76 116.19 3kgl s ALA 35 Ca 0.29 1.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.46 3kgl s ALA 35 Cb 0.20 -3.67 0.26 0.00 0.00 0.00 0.00 23.12 19.90 3kgl s ALA 35 CO 0.43 -0.97 1.61 -1.35 0.00 0.00 0.00 175.76 175.48 3kgl h PRO 36 N 7.59 -0.01 -0.50 0.00 0.11 -1.91 0.66 132.00 137.94 3kgl h PRO 36 Ca -0.43 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.79 3kgl h PRO 36 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3kgl h PRO 36 CO 0.93 -0.01 0.34 0.37 -0.21 0.00 0.00 178.00 179.42 3kgl h GLN 37 N -0.01 0.17 0.00 1.05 4.15 -1.89 -2.28 115.11 116.29 3kgl h GLN 37 Ca 0.33 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 3kgl h GLN 37 Cb 0.51 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3kgl h GLN 37 CO -0.71 0.11 -1.70 1.28 -1.93 0.00 0.00 178.83 175.88 3kgl n LEU 38 N -4.44 0.46 -0.12 -2.39 4.77 0.11 -3.76 117.00 111.62 3kgl n LEU 38 Ca 0.08 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3kgl n LEU 38 Cb 0.44 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3kgl n LEU 38 CO 0.35 0.12 0.65 -0.09 -1.33 0.00 0.00 177.39 177.09 3kgl h ARG 39 N 0.00 0.79 -0.36 3.23 2.43 0.50 -2.85 114.38 118.12 3kgl h ARG 39 Ca -0.17 -0.35 0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3kgl h ARG 39 Cb 1.46 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.93 3kgl h ARG 39 CO 0.02 0.97 0.02 0.00 -1.51 0.00 0.00 179.97 179.48 3kgl n SER 41 N -5.15 0.58 -1.34 0.00 7.64 -1.16 -4.87 113.62 109.31 3kgl n SER 41 Ca 0.02 0.66 -0.13 0.00 1.01 0.00 0.00 58.87 60.42 3kgl n SER 41 Cb 0.18 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 3kgl n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgl n GLY 42 N -0.22 0.43 3.11 0.23 0.00 -0.80 -4.85 105.19 103.09 3kgl n GLY 42 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3kgl n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kgl s VAL 43 N -2.61 0.45 0.48 1.61 -7.23 -1.23 -1.42 120.40 110.44 3kgl s VAL 43 Ca 0.00 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 3kgl s VAL 43 Cb 0.00 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.61 3kgl s VAL 43 CO 0.00 -0.81 0.36 -0.55 -0.31 0.00 0.00 175.10 173.78 3kgl s SER 44 N -2.64 4.72 -0.14 4.85 0.15 -0.09 -4.76 113.70 115.80 3kgl s SER 44 Ca 0.04 -1.05 -0.09 0.00 0.70 0.00 0.00 55.95 55.55 3kgl s SER 44 Cb 0.03 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.31 3kgl s SER 44 CO -0.06 -0.86 0.34 0.12 1.20 0.00 0.00 173.24 173.99 3kgl s PHE 45 N -2.64 -0.44 0.02 3.44 5.36 -1.26 -1.70 117.98 120.76 3kgl s PHE 45 Ca 0.40 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3kgl s PHE 45 Cb -0.01 0.15 -0.02 0.00 -0.34 0.00 0.00 43.02 42.80 3kgl s PHE 45 CO 0.24 -0.25 -0.04 0.54 -1.46 0.00 0.00 175.22 174.25 3kgl s VAL 46 N 0.90 0.19 -0.11 3.12 0.11 -0.43 -0.92 120.40 123.26 3kgl s VAL 46 Ca -0.06 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.26 3kgl s VAL 46 Cb -0.07 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3kgl s VAL 46 CO -0.07 -0.36 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.55 3kgl s ARG 47 N -1.17 2.61 -0.09 1.54 3.52 0.19 -0.82 118.95 124.72 3kgl s ARG 47 Ca -0.11 -0.72 -0.15 0.00 -0.13 0.00 0.00 55.73 54.62 3kgl s ARG 47 Cb -0.08 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 3kgl s ARG 47 CO -0.01 0.04 0.38 0.71 -0.81 0.00 0.00 175.30 175.61 3kgl s TYR 48 N 0.69 3.57 -0.46 5.12 2.02 0.43 -0.09 117.35 128.64 3kgl s TYR 48 Ca -0.12 0.81 0.03 0.00 -0.37 0.00 0.00 57.07 57.43 3kgl s TYR 48 Cb -0.16 -2.37 0.12 0.00 -0.40 0.00 0.00 41.96 39.16 3kgl s TYR 48 CO 0.03 0.38 0.21 0.42 -1.57 0.00 0.00 175.55 175.01 3kgl s ILE 49 N -0.08 2.13 -0.21 2.71 1.01 -0.57 -2.47 121.20 123.73 3kgl s ILE 49 Ca 0.22 -2.84 -0.16 0.00 0.00 0.00 0.00 60.65 57.86 3kgl s ILE 49 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3kgl s ILE 49 CO 0.09 -0.78 0.40 -0.63 0.00 0.00 0.00 174.94 174.02 3kgl s ILE 50 N 0.19 5.19 0.87 2.92 1.01 -0.35 -2.49 121.20 128.55 3kgl s ILE 50 Ca 0.16 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.37 3kgl s ILE 50 Cb -0.24 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.63 3kgl s ILE 50 CO -0.03 0.24 1.22 -1.61 0.00 0.00 0.00 174.94 174.76 3kgl s GLU 51 N 1.39 1.45 0.44 2.79 2.02 -0.82 -0.66 118.70 125.31 3kgl s GLU 51 Ca 0.19 -0.04 -0.24 0.00 0.02 0.00 0.00 54.97 54.89 3kgl s GLU 51 Cb -0.15 -1.91 -0.08 0.00 0.10 0.00 0.00 34.13 32.10 3kgl s GLU 51 CO 0.08 -1.92 1.21 0.45 0.02 0.00 0.00 175.26 175.10 3kgl s SER 52 N -4.63 6.20 0.00 -0.19 0.15 -1.26 -1.99 113.70 111.98 3kgl s SER 52 Ca 0.66 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.75 3kgl s SER 52 Cb -0.09 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3kgl s SER 52 CO 0.51 -0.90 0.00 0.29 1.20 0.00 0.00 173.24 174.33 3kgl n LYS 53 N -0.26 -0.33 -3.71 5.44 5.02 -0.57 -4.94 118.16 118.81 3kgl n LYS 53 Ca 0.06 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.06 3kgl n LYS 53 Cb 0.46 -3.36 -0.06 0.00 -0.02 0.00 0.00 35.03 32.05 3kgl n LYS 53 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kgl s GLY 54 N -2.00 2.28 -0.15 0.72 0.00 -0.84 -0.12 107.32 107.21 3kgl s GLY 54 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3kgl s GLY 54 CO 0.00 -0.12 -0.14 -2.27 0.00 0.00 0.00 173.10 170.57 3kgl s LEU 55 N -0.92 1.71 -0.48 0.66 2.96 0.02 -0.46 118.68 122.17 3kgl s LEU 55 Ca 0.18 -0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 3kgl s LEU 55 Cb -0.14 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.39 3kgl s LEU 55 CO 0.07 -0.06 1.18 -0.47 -1.32 0.00 0.00 176.35 175.76 3kgl s TYR 56 N 1.48 2.73 0.50 5.38 5.04 0.55 -1.24 117.35 131.80 3kgl s TYR 56 Ca 0.05 0.68 -0.22 0.00 -2.44 0.00 0.00 57.07 55.14 3kgl s TYR 56 Cb -0.13 -4.44 -0.06 0.00 0.35 0.00 0.00 41.96 37.68 3kgl s TYR 56 CO -0.11 -1.40 1.19 -0.51 -1.34 0.00 0.00 175.55 173.38 3kgl s LEU 57 N 4.65 3.92 -0.38 6.97 1.43 -0.01 -2.07 118.68 133.19 3kgl s LEU 57 Ca 0.49 2.35 -0.44 0.00 -1.03 0.00 0.00 54.13 55.51 3kgl s LEU 57 Cb -0.08 -4.33 -0.18 0.00 0.03 0.00 0.00 46.19 41.63 3kgl s LEU 57 CO 0.31 -1.11 1.63 -2.65 0.23 0.00 0.00 176.35 174.76 3kgl n PRO 58 N -0.78 0.47 -4.39 1.29 -0.02 -1.25 -4.82 135.00 125.49 3kgl n PRO 58 Ca 0.09 0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.54 3kgl n PRO 58 Cb 0.48 -1.74 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 3kgl n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kgl s SER 59 N 3.02 2.65 0.12 2.55 1.04 -0.81 -1.63 113.70 120.64 3kgl s SER 59 Ca 1.01 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3kgl s SER 59 Cb -1.31 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.62 3kgl s SER 59 CO 0.74 -0.27 0.00 0.72 0.98 0.00 0.00 173.24 175.41 3kgl s PHE 60 N -3.01 0.92 0.24 5.02 -0.12 -0.57 -1.13 117.98 119.33 3kgl s PHE 60 Ca 0.26 -1.09 0.08 0.00 -0.05 0.00 0.00 56.93 56.13 3kgl s PHE 60 Cb 0.02 -0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 41.82 3kgl s PHE 60 CO 0.10 -0.34 -0.11 -0.06 -0.05 0.00 0.00 175.22 174.75 3kgl s PHE 61 N -3.84 1.85 -1.37 3.49 0.08 -1.26 -0.83 117.98 116.09 3kgl s PHE 61 Ca 0.19 -0.61 0.22 0.00 0.12 0.00 0.00 56.93 56.85 3kgl s PHE 61 Cb 0.07 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.59 3kgl s PHE 61 CO -0.01 0.35 1.07 -1.13 -0.10 0.00 0.00 175.22 175.40 3kgl n SER 62 N -0.48 1.25 -4.42 1.36 3.41 -1.23 -0.81 113.62 112.70 3kgl n SER 62 Ca -0.07 -1.05 -0.23 0.00 -0.26 0.00 0.00 58.87 57.26 3kgl n SER 62 Cb 0.62 0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 65.14 3kgl n SER 62 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kgl s THR 63 N -2.80 2.22 0.79 6.66 -4.23 -1.26 -3.46 115.64 113.56 3kgl s THR 63 Ca 0.13 -2.26 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 3kgl s THR 63 Cb 0.17 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.92 3kgl s THR 63 CO 0.73 -0.40 1.16 0.00 -0.54 0.00 0.00 174.62 175.58 3kgl s ALA 64 N -2.44 1.95 0.01 3.99 0.00 -1.26 -4.18 121.76 119.83 3kgl s ALA 64 Ca 0.25 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3kgl s ALA 64 Cb -0.05 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3kgl s ALA 64 CO 0.11 -2.11 -0.06 0.21 0.00 0.00 0.00 175.76 173.92 3kgl s LYS 65 N -4.34 0.47 -0.24 0.00 2.20 -0.63 -2.39 119.74 114.80 3kgl s LYS 65 Ca 0.69 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 3kgl s LYS 65 Cb -0.24 -0.40 0.08 0.00 -1.51 0.00 0.00 37.83 35.76 3kgl s LYS 65 CO 0.51 0.10 0.08 -1.17 -0.36 0.00 0.00 175.35 174.51 3kgl s LEU 66 N -0.50 1.17 0.27 5.43 0.20 -1.02 -1.64 118.68 122.58 3kgl s LEU 66 Ca -0.01 -1.10 -0.00 0.00 0.69 0.00 0.00 54.13 53.71 3kgl s LEU 66 Cb -0.04 -0.55 -0.04 0.00 -0.43 0.00 0.00 46.19 45.13 3kgl s LEU 66 CO -0.00 -0.37 0.46 -0.44 -0.29 0.00 0.00 176.35 175.71 3kgl s SER 67 N 1.90 6.35 -0.05 3.68 0.01 -0.37 -2.37 113.70 122.85 3kgl s SER 67 Ca 0.04 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.70 3kgl s SER 67 Cb -0.17 -2.02 0.04 0.00 0.21 0.00 0.00 66.02 64.08 3kgl s SER 67 CO -0.19 -0.15 0.11 0.12 0.41 0.00 0.00 173.24 173.54 3kgl s PHE 68 N -2.07 -0.11 -0.53 2.43 5.36 0.15 -1.70 117.98 121.52 3kgl s PHE 68 Ca 0.39 0.38 -0.23 0.00 -0.96 0.00 0.00 56.93 56.51 3kgl s PHE 68 Cb -0.10 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.49 3kgl s PHE 68 CO 0.32 -0.14 0.85 0.14 -1.46 0.00 0.00 175.22 174.92 3kgl s VAL 69 N 1.15 4.53 -1.56 3.12 -7.23 -0.87 0.30 120.40 119.84 3kgl s VAL 69 Ca -0.09 0.14 0.26 0.00 -1.81 0.00 0.00 61.98 60.48 3kgl s VAL 69 Cb -0.12 -4.46 0.17 0.00 0.56 0.00 0.00 36.38 32.53 3kgl s VAL 69 CO -0.05 -0.99 1.47 0.00 -0.31 0.00 0.00 175.10 175.22 3kgl n ALA 70 N 7.08 3.29 0.00 1.32 0.00 0.94 -1.49 120.51 131.65 3kgl n ALA 70 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3kgl n ALA 70 Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3kgl n ALA 70 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3kgl n LYS 71 N -0.84 0.00 0.00 0.00 2.85 -1.22 -4.92 118.16 114.03 3kgl n LYS 71 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3kgl n LYS 71 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 3kgl n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kgl n GLY 72 N -0.40 -1.96 3.21 2.58 0.00 -1.25 0.35 105.19 107.71 3kgl n GLY 72 Ca 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 3kgl n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kgl s GLU 73 N -0.23 0.69 0.00 1.61 2.12 -1.26 -3.03 118.70 118.60 3kgl s GLU 73 Ca 0.00 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3kgl s GLU 73 Cb 0.00 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.69 3kgl s GLU 73 CO 0.00 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3kgl n GLY 74 N 0.91 -0.73 3.67 -1.50 0.00 0.22 -4.14 105.19 103.62 3kgl n GLY 74 Ca -0.20 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3kgl n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 75 N 0.00 3.41 0.07 0.99 1.43 -0.64 0.12 118.68 124.06 3kgl s LEU 75 Ca 0.00 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3kgl s LEU 75 Cb 0.00 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3kgl s LEU 75 CO 0.00 0.22 -0.07 -0.32 0.23 0.00 0.00 176.35 176.40 3kgl s MET 76 N -1.99 0.68 -0.04 1.70 -2.45 -0.68 -1.43 119.30 115.10 3kgl s MET 76 Ca 0.23 -1.03 -0.02 0.00 -1.25 0.00 0.00 55.69 53.62 3kgl s MET 76 Cb -0.12 -0.27 0.03 0.00 1.25 0.00 0.00 34.83 35.73 3kgl s MET 76 CO 0.14 0.02 0.07 0.20 1.05 0.00 0.00 175.02 176.50 3kgl s GLY 77 N -2.26 0.18 0.08 2.11 0.00 -0.54 -1.68 107.32 105.20 3kgl s GLY 77 Ca 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 44.72 44.88 3kgl s GLY 77 CO -0.02 1.35 0.38 0.50 0.00 0.00 0.00 173.10 175.30 3kgl s ARG 78 N 2.07 3.71 -0.13 2.90 0.52 -1.26 -2.03 118.95 124.72 3kgl s ARG 78 Ca 0.03 0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3kgl s ARG 78 Cb -0.12 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.40 3kgl s ARG 78 CO -0.03 0.56 -0.04 0.08 0.02 0.00 0.00 175.30 175.89 3kgl s VAL 79 N -1.42 0.87 0.43 3.52 1.01 -0.68 -4.61 120.40 119.53 3kgl s VAL 79 Ca 0.33 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3kgl s VAL 79 Cb -0.14 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.22 3kgl s VAL 79 CO 0.19 0.19 0.60 0.68 0.00 0.00 0.00 175.10 176.76 3kgl s VAL 80 N 1.75 3.19 -0.34 2.92 -7.23 -1.26 -2.98 120.40 116.45 3kgl s VAL 80 Ca 0.03 -0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 59.02 3kgl s VAL 80 Cb -0.14 -3.11 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 3kgl s VAL 80 CO -0.07 -0.05 1.87 -2.84 -0.31 0.00 0.00 175.10 173.70 3kgl s PRO 81 N -4.42 3.22 0.02 4.82 0.02 -1.26 -4.47 135.00 132.94 3kgl s PRO 81 Ca 0.53 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.99 3kgl s PRO 81 Cb -0.10 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.18 3kgl s PRO 81 CO 0.34 -1.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3kgl n GLY 82 N 5.50 -5.66 3.50 0.52 0.00 -1.26 -5.09 105.19 102.70 3kgl n GLY 82 Ca 0.24 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 3kgl n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgl s ALA 84 N -2.37 -0.23 -0.24 0.00 0.00 -1.26 -5.02 121.76 112.64 3kgl s ALA 84 Ca -0.02 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.38 3kgl s ALA 84 Cb -0.01 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3kgl s ALA 84 CO -0.03 -3.90 0.02 -1.21 0.00 0.00 0.00 175.76 170.64 3kgl s GLU 85 N -4.85 3.47 0.00 0.00 8.01 -1.26 -4.71 118.70 119.36 3kgl s GLU 85 Ca 0.68 -0.58 0.00 0.00 0.01 0.00 0.00 54.97 55.08 3kgl s GLU 85 Cb -0.18 -3.20 0.00 0.00 -4.31 0.00 0.00 34.13 26.44 3kgl s GLU 85 CO 0.60 -0.22 0.00 2.41 0.01 0.00 0.00 175.26 178.06 3kgl n THR 86 N 4.86 0.00 -1.84 3.63 -1.04 -1.21 -4.97 114.28 113.72 3kgl n THR 86 Ca -0.17 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 3kgl n THR 86 Cb 0.51 -0.04 0.14 0.00 -1.82 0.00 0.00 70.33 69.12 3kgl n THR 86 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3kgl s PHE 87 N 0.00 2.24 0.11 -1.42 0.08 -1.19 -4.96 117.98 112.84 3kgl s PHE 87 Ca 0.00 0.57 -0.04 0.00 0.12 0.00 0.00 56.93 57.58 3kgl s PHE 87 Cb 0.00 -3.74 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 3kgl s PHE 87 CO 0.00 -2.29 0.11 -1.14 -0.10 0.00 0.00 175.22 171.80 3kgl s GLN 88 N -5.67 0.88 -0.40 0.44 0.74 -1.26 -3.55 119.66 110.84 3kgl s GLN 88 Ca 0.67 -1.24 0.02 0.00 0.05 0.00 0.00 55.36 54.87 3kgl s GLN 88 Cb -0.08 0.28 0.15 0.00 1.10 0.00 0.00 33.01 34.46 3kgl s GLN 88 CO 0.51 -0.26 0.27 -0.51 -0.55 0.00 0.00 175.29 174.76 3kgl s ASP 89 N -2.96 2.70 0.00 6.67 -0.00 -0.18 -3.91 116.67 118.98 3kgl s ASP 89 Ca 0.15 -2.62 0.00 0.00 -0.00 0.00 0.00 52.55 50.07 3kgl s ASP 89 Cb 0.06 -0.58 0.00 0.00 -0.00 0.00 0.00 42.92 42.40 3kgl s ASP 89 CO -0.04 -0.25 0.00 -1.54 -0.00 0.00 0.00 175.17 173.34 3kgl n SER 90 N 3.48 0.00 -2.79 0.27 3.41 -1.26 -3.17 113.62 113.55 3kgl n SER 90 Ca 0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 3kgl n SER 90 Cb 0.40 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.41 3kgl n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3kgl n SER 91 N 0.00 -2.11 -2.86 4.04 7.64 -1.26 -4.96 113.62 114.11 3kgl n SER 91 Ca 0.00 -3.53 -0.15 0.00 1.01 0.00 0.00 58.87 56.20 3kgl n SER 91 Cb 0.00 1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 64.78 3kgl n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3kgl n VAL 92 N 0.65 -0.14 -0.59 0.44 0.24 -1.26 -5.08 118.33 112.60 3kgl n VAL 92 Ca 0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3kgl n VAL 92 Cb 0.68 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 3kgl n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kgl n GLY 138 N -1.04 -2.85 3.66 7.63 0.00 -1.26 -5.05 105.19 106.29 3kgl n GLY 138 Ca -0.02 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3kgl n GLY 138 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kgl s PHE 139 N -0.75 3.36 0.00 1.61 5.36 -1.26 -5.03 117.98 121.26 3kgl s PHE 139 Ca 0.00 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 3kgl s PHE 139 Cb 0.00 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3kgl s PHE 139 CO 0.00 -0.42 0.00 2.89 -1.46 0.00 0.00 175.22 176.23 3kgl n ARG 140 N 6.06 2.38 -4.42 10.12 0.00 -1.26 -4.95 116.66 124.60 3kgl n ARG 140 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.67 3kgl n ARG 140 Cb 0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.76 3kgl n ARG 140 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3kgl s ASP 141 N 0.02 2.34 -0.11 2.89 2.15 -1.19 -4.92 116.67 117.85 3kgl s ASP 141 Ca 0.00 -0.40 -0.01 0.00 0.43 0.00 0.00 52.55 52.57 3kgl s ASP 141 Cb 0.00 -1.04 -0.03 0.00 -0.30 0.00 0.00 42.92 41.56 3kgl s ASP 141 CO 0.00 0.01 -0.06 0.00 -0.17 0.00 0.00 175.17 174.94 3kgl s MET 142 N 1.01 3.21 0.18 4.34 0.23 -1.26 -1.01 119.30 126.00 3kgl s MET 142 Ca -0.06 -0.55 -0.23 0.00 -1.03 0.00 0.00 55.69 53.82 3kgl s MET 142 Cb -0.15 -2.73 0.06 0.00 -1.53 0.00 0.00 34.83 30.48 3kgl s MET 142 CO -0.02 0.44 0.64 -3.38 -2.03 0.00 0.00 175.02 170.68 3kgl s HIS 143 N -0.20 -0.46 1.35 3.16 -3.43 -1.23 -5.06 115.29 109.42 3kgl s HIS 143 Ca 0.03 0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 54.29 3kgl s HIS 143 Cb -0.13 0.59 0.34 0.00 -1.43 0.00 0.00 32.58 31.95 3kgl s HIS 143 CO 0.03 -0.92 0.90 1.04 -2.00 0.00 0.00 174.74 173.78 3kgl n GLN 144 N -0.39 -3.86 -1.69 -0.38 6.02 -1.26 -3.14 117.38 112.68 3kgl n GLN 144 Ca -0.14 -1.13 -0.42 0.00 -0.01 0.00 0.00 57.00 55.30 3kgl n GLN 144 Cb 0.64 -2.00 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 3kgl n GLN 144 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 3kgl n LYS 145 N -5.33 2.03 -4.00 -1.09 2.85 -1.26 -4.25 118.16 107.11 3kgl n LYS 145 Ca 0.08 0.71 -0.31 0.00 -1.05 0.00 0.00 58.31 57.74 3kgl n LYS 145 Cb 0.57 -2.29 -0.15 0.00 -0.65 0.00 0.00 35.03 32.51 3kgl n LYS 145 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3kgl s VAL 146 N -1.11 2.02 0.47 0.58 1.01 -1.26 -4.28 120.40 117.84 3kgl s VAL 146 Ca 0.56 -1.87 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 3kgl s VAL 146 Cb -0.57 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3kgl s VAL 146 CO 0.62 -0.34 0.81 -1.61 0.00 0.00 0.00 175.10 174.58 3kgl s GLU 147 N 1.10 3.64 -0.00 2.72 2.02 -0.68 -4.90 118.70 122.59 3kgl s GLU 147 Ca 0.02 0.37 -0.07 0.00 0.02 0.00 0.00 54.97 55.30 3kgl s GLU 147 Cb -0.19 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 3kgl s GLU 147 CO -0.08 -0.19 0.27 -1.58 0.02 0.00 0.00 175.26 173.70 3kgl s HIS 148 N -2.67 3.59 -0.02 1.61 5.65 -1.26 -1.68 115.29 120.51 3kgl s HIS 148 Ca 0.50 0.61 0.04 0.00 0.25 0.00 0.00 55.06 56.46 3kgl s HIS 148 Cb -0.10 -2.02 -0.01 0.00 -1.18 0.00 0.00 32.58 29.27 3kgl s HIS 148 CO 0.41 0.62 -0.13 0.96 -0.65 0.00 0.00 174.74 175.95 3kgl s ILE 149 N -1.26 1.09 0.35 0.89 -4.36 0.12 -4.91 121.20 113.12 3kgl s ILE 149 Ca 0.26 -0.57 0.03 0.00 -0.26 0.00 0.00 60.65 60.12 3kgl s ILE 149 Cb -0.13 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 3kgl s ILE 149 CO 0.15 0.31 0.12 0.00 0.24 0.00 0.00 174.94 175.76 3kgl s ARG 150 N -0.17 1.75 0.40 0.37 1.70 -1.26 -0.61 118.95 121.14 3kgl s ARG 150 Ca 0.02 -2.03 -0.27 0.00 -0.47 0.00 0.00 55.73 52.98 3kgl s ARG 150 Cb -0.07 -0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 33.71 3kgl s ARG 150 CO 0.00 -0.40 1.46 2.41 -1.08 0.00 0.00 175.30 177.69 3kgl n THR 151 N -0.75 2.30 0.00 4.99 -1.04 -1.17 -2.59 114.28 116.03 3kgl n THR 151 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 3kgl n THR 151 Cb 0.65 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 3kgl n THR 151 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kgl n GLY 152 N 0.52 3.15 3.70 3.41 0.00 -0.56 -4.79 105.19 110.62 3kgl n GLY 152 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3kgl n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kgl n ASP 153 N 0.00 2.48 -3.98 1.61 8.00 -1.07 -1.89 116.55 121.70 3kgl n ASP 153 Ca 0.00 1.09 -0.27 0.00 0.71 0.00 0.00 54.79 56.31 3kgl n ASP 153 Cb 0.00 -1.50 -0.17 0.00 -0.02 0.00 0.00 41.12 39.43 3kgl n ASP 153 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kgl s THR 154 N -1.22 1.25 -0.09 -3.53 2.01 0.28 -2.04 115.64 112.30 3kgl s THR 154 Ca 0.62 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.20 3kgl s THR 154 Cb -0.50 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 3kgl s THR 154 CO 0.57 0.40 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.06 3kgl s ILE 155 N 1.33 2.38 0.02 1.82 1.09 -0.69 -1.07 121.20 126.07 3kgl s ILE 155 Ca -0.01 -0.92 -0.06 0.00 -1.10 0.00 0.00 60.65 58.56 3kgl s ILE 155 Cb -0.14 -1.92 -0.05 0.00 -1.06 0.00 0.00 42.46 39.30 3kgl s ILE 155 CO -0.05 0.56 0.26 0.00 -0.10 0.00 0.00 174.94 175.61 3kgl s ALA 156 N 0.10 3.86 -0.15 9.38 0.00 -0.40 -1.23 121.76 133.32 3kgl s ALA 156 Ca -0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 3kgl s ALA 156 Cb -0.16 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.98 3kgl s ALA 156 CO 0.06 0.67 0.08 0.99 0.00 0.00 0.00 175.76 177.55 3kgl s THR 157 N -1.33 -0.00 0.49 0.00 2.01 -0.65 -4.95 115.64 111.20 3kgl s THR 157 Ca 0.29 -0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.95 3kgl s THR 157 Cb -0.13 -0.55 -0.07 0.00 0.01 0.00 0.00 72.50 71.76 3kgl s THR 157 CO 0.17 -0.18 1.32 -1.00 -0.69 0.00 0.00 174.62 174.25 3kgl s HIS 158 N 2.11 2.52 0.48 4.92 3.76 -1.26 -1.60 115.29 126.21 3kgl s HIS 158 Ca 0.02 1.39 -0.22 0.00 -0.15 0.00 0.00 55.06 56.11 3kgl s HIS 158 Cb -0.15 -3.72 -0.10 0.00 1.11 0.00 0.00 32.58 29.72 3kgl s HIS 158 CO -0.08 -2.49 0.75 -2.30 -0.85 0.00 0.00 174.74 169.77 3kgl n PRO 159 N -0.57 0.86 0.00 8.40 -0.02 -1.26 -2.17 135.00 140.23 3kgl n PRO 159 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3kgl n PRO 159 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3kgl n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kgl n GLY 160 N 1.52 2.88 3.72 -1.23 0.00 0.01 -4.95 105.19 107.13 3kgl n GLY 160 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kgl n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgl s VAL 161 N -1.93 4.07 -0.00 1.61 1.01 -0.92 -4.85 120.40 119.38 3kgl s VAL 161 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 3kgl s VAL 161 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3kgl s VAL 161 CO 0.00 0.15 0.34 0.00 0.00 0.00 0.00 175.10 175.59 3kgl s ALA 162 N 0.77 3.76 0.08 5.51 0.00 -1.16 -4.23 121.76 126.48 3kgl s ALA 162 Ca 0.56 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3kgl s ALA 162 Cb -0.29 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 3kgl s ALA 162 CO 0.30 0.55 -0.08 -0.65 0.00 0.00 0.00 175.76 175.88 3kgl s GLN 163 N -1.36 0.72 -0.03 0.00 -0.21 -0.29 -1.68 119.66 116.81 3kgl s GLN 163 Ca 0.25 -1.06 -0.10 0.00 0.02 0.00 0.00 55.36 54.47 3kgl s GLN 163 Cb -0.15 -0.34 0.02 0.00 1.00 0.00 0.00 33.01 33.54 3kgl s GLN 163 CO 0.13 0.04 0.23 1.67 -2.12 0.00 0.00 175.29 175.24 3kgl s TRP 164 N -2.39 -0.13 -0.04 0.91 1.48 -0.86 -1.92 118.94 115.99 3kgl s TRP 164 Ca 0.01 0.26 0.03 0.00 -1.06 0.00 0.00 56.10 55.34 3kgl s TRP 164 Cb -0.03 0.05 0.00 0.00 -1.16 0.00 0.00 33.47 32.32 3kgl s TRP 164 CO -0.01 -0.28 -0.13 -0.06 -4.06 0.00 0.00 176.95 172.41 3kgl s PHE 165 N -0.90 1.37 -0.08 1.66 0.08 -0.88 -1.47 117.98 117.76 3kgl s PHE 165 Ca -0.10 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.58 3kgl s PHE 165 Cb -0.05 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 3kgl s PHE 165 CO 0.02 -0.14 -0.10 -0.47 -0.10 0.00 0.00 175.22 174.43 3kgl s TYR 166 N 0.13 1.43 -0.78 0.36 5.04 -0.51 0.21 117.35 123.22 3kgl s TYR 166 Ca -0.04 -0.60 -0.22 0.00 -2.44 0.00 0.00 57.07 53.76 3kgl s TYR 166 Cb -0.10 -1.11 0.08 0.00 0.35 0.00 0.00 41.96 41.17 3kgl s TYR 166 CO 0.01 -0.37 1.11 1.21 -1.34 0.00 0.00 175.55 176.18 3kgl s ASN 167 N 1.09 6.33 0.00 4.32 3.04 0.39 -1.62 114.94 128.49 3kgl s ASN 167 Ca -0.07 -1.25 0.31 0.00 0.04 0.00 0.00 52.86 51.90 3kgl s ASN 167 Cb -0.14 -2.45 1.69 0.00 -1.54 0.00 0.00 41.25 38.81 3kgl s ASN 167 CO -0.01 -1.41 2.13 -0.90 -3.04 0.00 0.00 177.10 173.87 3kgl n ASP 168 N 7.79 0.05 -4.12 -4.21 5.75 -1.26 -1.51 116.55 119.04 3kgl n ASP 168 Ca 0.09 -0.61 -0.16 0.00 -0.01 0.00 0.00 54.79 54.09 3kgl n ASP 168 Cb 0.48 -0.13 0.07 0.00 -1.03 0.00 0.00 41.12 40.51 3kgl n ASP 168 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgl n GLY 169 N 1.14 1.30 0.01 6.12 0.00 -1.26 -4.92 105.19 107.59 3kgl n GLY 169 Ca 0.19 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 3kgl n GLY 169 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3kgl h ASN 170 N -0.20 0.00 -3.67 1.61 -1.24 -1.92 -3.42 115.58 106.74 3kgl h ASN 170 Ca -0.23 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.31 3kgl h ASN 170 Cb 0.96 0.00 0.20 0.00 0.73 0.00 0.00 38.32 40.21 3kgl h ASN 170 CO 0.29 0.10 0.11 -1.10 -1.29 0.00 0.00 177.43 175.54 3kgl s GLN 171 N -1.15 -0.08 0.66 6.67 -1.52 -1.26 -4.56 119.66 118.42 3kgl s GLN 171 Ca -0.01 1.05 -0.15 0.00 -1.95 0.00 0.00 55.36 54.30 3kgl s GLN 171 Cb 0.00 -1.64 0.00 0.00 -0.22 0.00 0.00 33.01 31.16 3kgl s GLN 171 CO 0.02 -3.22 1.10 -2.14 -0.25 0.00 0.00 175.29 170.81 3kgl s PRO 172 N -4.58 2.80 -0.16 2.91 0.02 -1.26 -4.67 135.00 130.07 3kgl s PRO 172 Ca 0.67 1.35 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 3kgl s PRO 172 Cb -0.23 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 3kgl s PRO 172 CO 0.62 -1.24 0.26 -1.17 -0.33 0.00 0.00 177.00 175.13 3kgl s LEU 173 N -4.93 4.26 -0.24 -5.54 2.96 0.16 -3.87 118.68 111.48 3kgl s LEU 173 Ca 0.66 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 3kgl s LEU 173 Cb -0.20 -2.31 0.06 0.00 0.50 0.00 0.00 46.19 44.24 3kgl s LEU 173 CO 0.43 0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.87 3kgl s VAL 174 N 0.25 1.49 -0.18 1.68 1.01 0.15 -1.21 120.40 123.59 3kgl s VAL 174 Ca 0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 3kgl s VAL 174 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3kgl s VAL 174 CO 0.03 -0.12 0.07 -0.63 0.00 0.00 0.00 175.10 174.44 3kgl s ILE 175 N 1.41 4.83 0.01 2.22 1.09 -1.03 -0.04 121.20 129.69 3kgl s ILE 175 Ca -0.05 -0.02 0.07 0.00 -1.10 0.00 0.00 60.65 59.54 3kgl s ILE 175 Cb -0.19 -3.17 -0.03 0.00 -1.06 0.00 0.00 42.46 38.01 3kgl s ILE 175 CO -0.07 0.47 -0.19 0.54 -0.10 0.00 0.00 174.94 175.59 3kgl s VAL 176 N 0.32 2.68 -0.07 2.92 0.11 0.15 -0.43 120.40 126.07 3kgl s VAL 176 Ca 0.04 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 3kgl s VAL 176 Cb -0.12 -2.07 0.03 0.00 -1.53 0.00 0.00 36.38 32.69 3kgl s VAL 176 CO 0.00 0.43 0.18 -0.44 -3.33 0.00 0.00 175.10 171.94 3kgl s SER 177 N -1.13 -0.17 0.04 3.54 0.01 -0.00 0.32 113.70 116.31 3kgl s SER 177 Ca 0.13 0.36 -0.05 0.00 1.31 0.00 0.00 55.95 57.70 3kgl s SER 177 Cb -0.10 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 3kgl s SER 177 CO 0.03 -0.12 0.28 0.54 0.41 0.00 0.00 173.24 174.38 3kgl s VAL 178 N 0.80 5.29 -0.12 3.43 0.11 -1.00 -1.32 120.40 127.59 3kgl s VAL 178 Ca -0.06 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 3kgl s VAL 178 Cb -0.07 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 31.21 3kgl s VAL 178 CO -0.04 0.28 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.11 3kgl s LEU 179 N -2.02 1.60 -0.77 2.54 1.43 -0.69 -2.43 118.68 118.34 3kgl s LEU 179 Ca 0.31 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 3kgl s LEU 179 Cb -0.13 -1.06 0.08 0.00 0.03 0.00 0.00 46.19 45.11 3kgl s LEU 179 CO 0.19 -0.04 1.08 -0.62 0.23 0.00 0.00 176.35 177.20 3kgl s ASP 180 N 1.28 6.31 0.17 2.29 -1.08 -1.01 -0.91 116.67 123.73 3kgl s ASP 180 Ca -0.01 -1.24 0.06 0.00 -0.52 0.00 0.00 52.55 50.85 3kgl s ASP 180 Cb -0.14 -2.44 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 3kgl s ASP 180 CO -0.06 -1.40 1.40 -0.07 0.52 0.00 0.00 175.17 175.56 3kgl h LEU 181 N 11.43 0.10 -0.04 -1.34 4.07 -1.59 -3.31 115.31 124.63 3kgl h LEU 181 Ca -0.13 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3kgl h LEU 181 Cb 1.05 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.76 3kgl h LEU 181 CO 1.20 0.91 -0.31 0.00 -1.08 0.00 0.00 178.44 179.16 3kgl n ALA 182 N -2.41 3.11 -1.75 1.53 0.00 -0.77 -4.78 120.51 115.45 3kgl n ALA 182 Ca -0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 3kgl n ALA 182 Cb 0.81 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 19.05 3kgl n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kgl s SER 183 N -2.93 5.38 0.42 0.00 0.15 -1.24 -4.89 113.70 110.59 3kgl s SER 183 Ca 0.14 2.29 0.29 0.00 0.70 0.00 0.00 55.95 59.38 3kgl s SER 183 Cb 0.18 -2.59 1.45 0.00 -1.71 0.00 0.00 66.02 63.36 3kgl s SER 183 CO 0.62 -1.46 1.89 1.12 1.20 0.00 0.00 173.24 176.62 3kgl h HIS 184 N 0.96 0.00 0.00 3.44 2.07 -1.93 -2.36 115.15 117.33 3kgl h HIS 184 Ca -0.50 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 56.98 3kgl h HIS 184 Cb 1.28 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 3kgl h HIS 184 CO 0.49 0.00 -0.18 1.96 -3.07 0.00 0.00 177.93 177.13 3kgl h GLN 185 N 0.00 0.00 -5.71 5.12 4.20 -1.91 -3.37 115.11 113.43 3kgl h GLN 185 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 3kgl h GLN 185 Cb 0.17 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 3kgl h GLN 185 CO 0.00 0.18 0.56 1.21 -0.67 0.00 0.00 178.83 180.11 3kgl s ASN 186 N -6.81 6.27 0.00 1.46 2.47 -0.89 -4.74 114.94 112.70 3kgl s ASN 186 Ca -0.04 -0.59 0.30 0.00 0.42 0.00 0.00 52.86 52.95 3kgl s ASN 186 Cb 0.15 -2.43 1.64 0.00 -1.45 0.00 0.00 41.25 39.16 3kgl s ASN 186 CO 0.67 -1.32 2.07 0.00 -3.72 0.00 0.00 177.10 174.81 3kgl n GLN 187 N 7.59 1.17 0.00 0.43 1.13 -1.26 -4.67 117.38 121.77 3kgl n GLN 187 Ca -0.00 -0.24 0.00 0.00 -1.94 0.00 0.00 57.00 54.81 3kgl n GLN 187 Cb 0.47 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.34 3kgl n GLN 187 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kgl n LEU 188 N -0.69 0.00 -4.41 1.08 4.32 -1.26 -5.13 117.00 110.91 3kgl n LEU 188 Ca 0.22 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 56.01 3kgl n LEU 188 Cb 0.17 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.87 3kgl n LEU 188 CO 0.17 0.00 -0.24 -1.81 -1.22 0.00 0.00 177.39 174.29 3kgl s ASP 189 N -1.00 2.00 -0.12 -1.43 -0.00 -1.26 -5.01 116.67 109.85 3kgl s ASP 189 Ca 0.00 -1.46 -0.00 0.00 -0.00 0.00 0.00 52.55 51.09 3kgl s ASP 189 Cb 0.00 0.16 0.09 0.00 -0.00 0.00 0.00 42.92 43.17 3kgl s ASP 189 CO 0.00 -0.74 1.85 -1.14 -0.00 0.00 0.00 175.17 175.14 3kgl n ARG 190 N -0.65 1.30 -4.28 8.23 3.00 -1.26 -4.83 116.66 118.16 3kgl n ARG 190 Ca -0.02 -0.60 -0.23 0.00 -0.00 0.00 0.00 57.85 57.00 3kgl n ARG 190 Cb 0.66 -1.23 -0.12 0.00 0.00 0.00 0.00 32.46 31.76 3kgl n ARG 190 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3kgl s ASN 191 N 1.15 2.36 0.06 6.15 0.01 -1.26 -4.97 114.94 118.44 3kgl s ASN 191 Ca 0.12 -0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 51.30 3kgl s ASN 191 Cb 0.09 -0.13 -0.05 0.00 0.41 0.00 0.00 41.25 41.58 3kgl s ASN 191 CO 0.00 0.04 1.05 -2.16 -1.51 0.00 0.00 177.10 174.52 3kgl s PRO 192 N -1.83 4.56 -0.35 -0.60 0.05 -1.26 -4.98 135.00 130.59 3kgl s PRO 192 Ca 0.05 1.56 0.00 0.00 0.05 0.00 0.00 61.00 62.66 3kgl s PRO 192 Cb -0.10 -3.39 0.11 0.00 0.05 0.00 0.00 34.50 31.18 3kgl s PRO 192 CO 0.04 -0.03 0.15 1.03 0.05 0.00 0.00 177.00 178.24 3kgl s ARG 193 N 0.61 0.90 0.11 4.56 0.52 -1.26 -5.00 118.95 119.39 3kgl s ARG 193 Ca 0.52 -1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 3kgl s ARG 193 Cb -0.25 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.08 3kgl s ARG 193 CO 0.30 -1.06 1.11 -1.25 0.02 0.00 0.00 175.30 174.42 3kgl s PRO 194 N 1.17 4.54 -0.20 3.54 0.04 -1.26 -3.56 135.00 139.26 3kgl s PRO 194 Ca 0.13 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 3kgl s PRO 194 Cb -0.20 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 3kgl s PRO 194 CO -0.15 -0.05 0.01 -0.06 0.04 0.00 0.00 177.00 176.79 3kgl s PHE 195 N 0.40 3.05 -0.25 0.56 0.08 -0.01 -4.96 117.98 116.85 3kgl s PHE 195 Ca 0.53 -0.44 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 3kgl s PHE 195 Cb -0.28 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3kgl s PHE 195 CO 0.32 -0.23 0.33 0.71 -0.10 0.00 0.00 175.22 176.24 3kgl s TYR 196 N 1.01 3.29 0.11 0.36 2.02 -1.26 -1.51 117.35 121.37 3kgl s TYR 196 Ca 0.02 0.41 -0.15 0.00 -0.37 0.00 0.00 57.07 56.97 3kgl s TYR 196 Cb -0.14 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 38.87 3kgl s TYR 196 CO 0.02 -0.12 1.51 -0.07 -1.57 0.00 0.00 175.55 175.32 3kgl h LEU 197 N 8.15 0.67 0.00 -1.29 4.07 -1.65 0.13 115.31 125.39 3kgl h LEU 197 Ca -0.34 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.26 3kgl h LEU 197 Cb 1.17 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.72 3kgl h LEU 197 CO 0.66 0.87 -0.39 0.00 -1.08 0.00 0.00 178.44 178.50 3kgl n ALA 198 N -2.42 3.00 -1.65 1.53 0.00 -1.26 -4.22 120.51 115.49 3kgl n ALA 198 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3kgl n ALA 198 Cb 0.34 0.31 0.03 0.00 0.00 0.00 0.00 19.45 20.13 3kgl n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kgl n GLY 199 N 2.97 0.03 3.83 0.00 0.00 -1.26 -4.60 105.19 106.15 3kgl n GLY 199 Ca 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3kgl n GLY 199 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kgl s ASN 200 N -0.95 6.57 -0.29 1.61 2.47 -1.26 -3.40 114.94 119.69 3kgl s ASN 200 Ca 0.69 0.68 0.02 0.00 0.42 0.00 0.00 52.86 54.68 3kgl s ASN 200 Cb -0.47 -2.17 0.08 0.00 -1.45 0.00 0.00 41.25 37.25 3kgl s ASN 200 CO 0.52 0.31 -0.01 0.21 -3.72 0.00 0.00 177.10 174.40 3kgl s ASN 201 N -0.71 4.40 0.36 -4.21 2.47 -0.66 -2.68 114.94 113.91 3kgl s ASN 201 Ca 0.19 -1.68 0.23 0.00 0.42 0.00 0.00 52.86 52.01 3kgl s ASN 201 Cb -0.14 -1.42 0.22 0.00 -1.45 0.00 0.00 41.25 38.46 3kgl s ASN 201 CO 0.08 -0.30 1.43 -0.65 -3.72 0.00 0.00 177.10 173.93 3kgl h PRO 202 N 7.78 0.00 0.00 0.43 0.11 -1.85 1.26 132.00 139.73 3kgl h PRO 202 Ca -0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3kgl h PRO 202 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3kgl h PRO 202 CO 0.47 0.02 -0.24 1.96 -0.21 0.00 0.00 178.00 180.01 3kgl h GLN 203 N 0.00 0.00 0.00 1.05 4.20 -1.93 -3.34 115.11 115.09 3kgl h GLN 203 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kgl h GLN 203 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3kgl h GLN 203 CO 0.00 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.81 3kgl n GLY 204 N -0.14 -1.12 2.75 3.46 0.00 -1.10 -4.44 105.19 104.60 3kgl n GLY 204 Ca -0.01 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3kgl n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kgl n GLN 205 N -0.45 3.27 0.13 1.61 6.02 -1.26 -4.73 117.38 121.96 3kgl n GLN 205 Ca 0.00 -2.97 0.12 0.00 -0.01 0.00 0.00 57.00 54.14 3kgl n GLN 205 Cb 0.00 -3.09 0.49 0.00 1.02 0.00 0.00 30.24 28.65 3kgl n GLN 205 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3kgl n VAL 206 N 4.19 0.79 1.27 5.09 0.24 -1.26 -2.31 118.33 126.33 3kgl n VAL 206 Ca 0.49 0.15 0.14 0.00 -2.04 0.00 0.00 64.34 63.08 3kgl n VAL 206 Cb 0.36 -1.08 0.56 0.00 -1.47 0.00 0.00 33.84 32.22 3kgl n VAL 206 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 3kgl n TRP 207 N -2.28 0.00 -4.19 6.34 2.14 -1.26 -4.82 117.44 113.37 3kgl n TRP 207 Ca 0.03 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.34 3kgl n TRP 207 Cb 0.26 -0.25 -0.07 0.00 -0.81 0.00 0.00 31.31 30.44 3kgl n TRP 207 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 3kgl s ILE 208 N -2.65 3.83 -0.07 -1.67 1.01 -0.98 -4.86 121.20 115.81 3kgl s ILE 208 Ca 0.23 -1.43 -0.12 0.00 0.00 0.00 0.00 60.65 59.34 3kgl s ILE 208 Cb 0.19 -2.95 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 3kgl s ILE 208 CO 0.52 -0.15 0.47 -0.33 0.00 0.00 0.00 174.94 175.45 3kgl h GLU 209 N 2.53 -0.24 -0.51 2.79 5.08 -1.88 -3.35 114.58 119.00 3kgl h GLU 209 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3kgl h GLU 209 Cb 1.21 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3kgl h GLU 209 CO 0.59 -0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.99 3kgl n GLY 210 N 1.00 0.38 0.27 -3.84 0.00 -1.26 -4.29 105.19 97.45 3kgl n GLY 210 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.13 3kgl n GLY 210 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kgl h ARG 211 N 0.06 0.00 -6.46 1.61 2.47 -1.85 -3.47 114.38 106.75 3kgl h ARG 211 Ca 0.00 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.32 3kgl h ARG 211 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3kgl h ARG 211 CO 0.00 0.05 -0.86 0.39 0.56 0.00 0.00 179.97 180.11 3kgl n GLU 212 N -3.20 -1.11 -3.78 0.04 1.02 -1.26 -3.30 120.64 109.05 3kgl n GLU 212 Ca -0.00 0.50 -0.24 0.00 -0.02 0.00 0.00 57.16 57.41 3kgl n GLU 212 Cb 0.29 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.96 3kgl n GLU 212 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kgl n GLN 213 N -2.39 -0.81 -4.63 3.49 6.02 -1.26 -4.92 117.38 112.88 3kgl n GLN 213 Ca -0.24 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 56.45 3kgl n GLN 213 Cb 0.53 -2.00 -0.14 0.00 1.02 0.00 0.00 30.24 29.65 3kgl n GLN 213 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3kgl s GLN 214 N -6.11 1.57 0.82 -1.09 -2.07 -1.21 -5.05 119.66 106.53 3kgl s GLN 214 Ca 0.10 -1.23 -0.12 0.00 -1.82 0.00 0.00 55.36 52.29 3kgl s GLN 214 Cb -0.06 -1.91 0.09 0.00 -1.09 0.00 0.00 33.01 30.05 3kgl s GLN 214 CO 0.65 0.47 1.17 -2.14 -1.32 0.00 0.00 175.29 174.12 3kgl s PRO 215 N -1.66 1.59 -0.40 9.60 0.02 -1.25 -4.19 135.00 138.70 3kgl s PRO 215 Ca 0.13 1.62 0.02 0.00 0.02 0.00 0.00 61.00 62.79 3kgl s PRO 215 Cb -0.10 -1.78 0.11 0.00 0.02 0.00 0.00 34.50 32.75 3kgl s PRO 215 CO 0.04 -2.22 0.13 -1.14 -0.33 0.00 0.00 177.00 173.48 3kgl s GLN 216 N -4.35 1.71 0.72 5.54 0.74 0.43 -4.78 119.66 119.68 3kgl s GLN 216 Ca 0.70 -2.03 -0.11 0.00 0.05 0.00 0.00 55.36 53.96 3kgl s GLN 216 Cb -0.25 -3.32 0.02 0.00 1.10 0.00 0.00 33.01 30.56 3kgl s GLN 216 CO 0.52 -1.01 1.09 0.15 -0.55 0.00 0.00 175.29 175.50 3kgl s LYS 217 N 0.69 2.75 1.08 1.67 -0.14 -1.26 -1.65 119.74 122.88 3kgl s LYS 217 Ca 0.12 0.55 -0.13 0.00 -1.36 0.00 0.00 55.97 55.15 3kgl s LYS 217 Cb -0.21 -2.00 0.23 0.00 -1.68 0.00 0.00 37.83 34.17 3kgl s LYS 217 CO -0.06 -1.13 1.07 0.54 -0.76 0.00 0.00 175.35 175.01 3kgl s ASN 218 N -4.21 1.85 0.23 2.83 2.20 -1.22 -4.76 114.94 111.85 3kgl s ASN 218 Ca 0.58 1.25 -0.02 0.00 -0.94 0.00 0.00 52.86 53.74 3kgl s ASN 218 Cb -0.12 -1.95 0.23 0.00 -2.00 0.00 0.00 41.25 37.41 3kgl s ASN 218 CO 0.53 -3.62 1.62 0.40 -2.94 0.00 0.00 177.10 173.08 3kgl h ILE 219 N -2.23 1.29 0.00 0.54 2.04 -0.90 -2.50 117.51 115.75 3kgl h ILE 219 Ca -0.58 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 63.79 3kgl h ILE 219 Cb 1.34 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3kgl h ILE 219 CO 0.55 0.47 -0.11 -0.07 0.00 0.00 0.00 178.15 178.99 3kgl h LEU 220 N 0.51 0.00 -1.74 1.44 4.07 -1.82 -2.50 115.31 115.27 3kgl h LEU 220 Ca 0.06 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.06 3kgl h LEU 220 Cb 0.83 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3kgl h LEU 220 CO 0.07 0.11 0.26 -1.13 -1.08 0.00 0.00 178.44 176.67 3kgl h ASN 221 N 0.00 0.29 0.75 -0.43 -0.73 -1.67 -2.81 115.58 110.98 3kgl h ASN 221 Ca -0.00 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3kgl h ASN 221 Cb 0.22 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.74 3kgl h ASN 221 CO 0.01 0.20 0.00 0.61 -0.37 0.00 0.00 177.43 177.88 3kgl n GLY 222 N -1.52 -1.37 3.90 1.57 0.00 -0.94 -4.69 105.19 102.14 3kgl n GLY 222 Ca 0.04 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3kgl n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kgl s PHE 223 N -2.76 3.54 0.55 1.61 0.08 -1.06 -5.07 117.98 114.87 3kgl s PHE 223 Ca 0.22 0.42 -0.20 0.00 0.12 0.00 0.00 56.93 57.50 3kgl s PHE 223 Cb 0.19 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 3kgl s PHE 223 CO 0.49 0.59 1.18 0.95 -0.10 0.00 0.00 175.22 178.32 3kgl s THR 224 N -1.41 2.90 0.46 0.64 -4.23 -1.26 -4.89 115.64 107.84 3kgl s THR 224 Ca 0.31 0.58 0.32 0.00 -1.18 0.00 0.00 61.69 61.72 3kgl s THR 224 Cb -0.13 -3.24 0.34 0.00 1.34 0.00 0.00 72.50 70.81 3kgl s THR 224 CO 0.21 -0.10 2.15 -0.65 -0.54 0.00 0.00 174.62 175.69 3kgl h PRO 225 N 1.20 0.00 0.28 3.99 0.11 -1.92 -2.23 132.00 133.43 3kgl h PRO 225 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3kgl h PRO 225 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kgl h PRO 225 CO 0.57 0.06 -0.13 1.05 -0.21 0.00 0.00 178.00 179.33 3kgl h GLU 226 N 0.00 -0.36 -0.62 1.05 9.09 -1.90 -0.86 114.58 120.98 3kgl h GLU 226 Ca -0.00 0.02 0.05 0.00 0.05 0.00 0.00 59.36 59.49 3kgl h GLU 226 Cb 0.23 0.08 -0.04 0.00 -1.65 0.00 0.00 28.75 27.37 3kgl h GLU 226 CO 0.01 -0.04 0.41 -0.24 0.05 0.00 0.00 179.01 179.20 3kgl h VAL 227 N -0.96 1.02 -0.45 -1.06 3.04 -1.93 0.19 116.25 116.11 3kgl h VAL 227 Ca -0.04 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 3kgl h VAL 227 Cb 0.49 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 3kgl h VAL 227 CO 0.06 0.12 0.19 0.25 -1.01 0.00 0.00 177.57 177.18 3kgl h LEU 228 N 0.64 0.60 -0.73 3.16 5.85 -1.41 0.40 115.31 123.82 3kgl h LEU 228 Ca 0.26 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 3kgl h LEU 228 Cb 0.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3kgl h LEU 228 CO -0.08 0.59 -0.07 0.00 -0.34 0.00 0.00 178.44 178.54 3kgl h ALA 229 N 1.04 0.93 -0.34 1.25 0.00 0.27 -1.12 119.26 121.27 3kgl h ALA 229 Ca 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kgl h ALA 229 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kgl h ALA 229 CO -0.02 0.63 0.10 0.87 0.00 0.00 0.00 179.25 180.84 3kgl h LYS 230 N 0.82 0.54 -0.67 0.00 1.79 -0.28 0.39 116.57 119.15 3kgl h LYS 230 Ca 0.14 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3kgl h LYS 230 Cb 0.58 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 3kgl h LYS 230 CO 0.04 0.57 0.28 0.00 -1.08 0.00 0.00 179.45 179.26 3kgl h ALA 231 N 0.94 1.24 -0.01 3.86 0.00 -0.00 -2.87 119.26 122.42 3kgl h ALA 231 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kgl h ALA 231 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kgl h ALA 231 CO -0.00 0.57 -0.72 1.19 0.00 0.00 0.00 179.25 180.28 3kgl n PHE 232 N -4.31 0.00 -3.53 0.00 3.72 -0.44 -4.99 117.46 107.90 3kgl n PHE 232 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 3kgl n PHE 232 Cb 0.16 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.75 3kgl n PHE 232 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kgl n LYS 233 N -0.76 -4.71 -4.31 -1.08 5.02 0.13 -4.99 118.16 107.47 3kgl n LYS 233 Ca 0.07 0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 56.91 3kgl n LYS 233 Cb 0.40 -5.43 -0.10 0.00 -0.02 0.00 0.00 35.03 29.88 3kgl n LYS 233 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3kgl s ILE 234 N -3.50 0.33 -0.02 -0.18 -4.36 -0.88 -5.05 121.20 107.53 3kgl s ILE 234 Ca 0.12 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.21 3kgl s ILE 234 Cb -0.02 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 3kgl s ILE 234 CO 0.78 0.00 1.36 -0.62 0.24 0.00 0.00 174.94 176.70 3kgl s ASP 235 N -3.32 6.89 0.33 4.36 -1.08 -1.26 -4.68 116.67 117.90 3kgl s ASP 235 Ca 0.37 2.03 0.08 0.00 -0.52 0.00 0.00 52.55 54.51 3kgl s ASP 235 Cb 0.06 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.41 3kgl s ASP 235 CO 0.16 -0.70 1.09 0.52 0.52 0.00 0.00 175.17 176.76 3kgl n VAL 236 N 4.73 0.38 0.02 1.11 0.31 -1.26 0.57 118.33 124.19 3kgl n VAL 236 Ca 0.13 0.75 -0.21 0.00 -0.01 0.00 0.00 64.34 64.99 3kgl n VAL 236 Cb 0.44 -1.75 -0.14 0.00 -0.91 0.00 0.00 33.84 31.49 3kgl n VAL 236 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3kgl h ARG 237 N 0.00 0.26 -0.71 5.55 3.08 -1.93 -3.12 114.38 117.51 3kgl h ARG 237 Ca 0.00 -0.44 0.08 0.00 0.07 0.00 0.00 59.98 59.69 3kgl h ARG 237 Cb 0.93 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 3kgl h ARG 237 CO 0.00 1.21 0.47 1.15 -1.07 0.00 0.00 179.97 181.73 3kgl h THR 238 N -0.31 0.97 -0.96 2.04 2.02 -0.26 -2.27 112.91 114.14 3kgl h THR 238 Ca -0.28 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kgl h THR 238 Cb 1.75 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.36 3kgl h THR 238 CO 0.08 0.12 0.61 0.00 0.37 0.00 0.00 175.52 176.70 3kgl h ALA 239 N 1.63 1.22 -0.27 6.16 0.00 -1.20 -2.62 119.26 124.18 3kgl h ALA 239 Ca 0.32 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3kgl h ALA 239 Cb 0.39 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kgl h ALA 239 CO -0.11 0.64 -0.31 1.96 0.00 0.00 0.00 179.25 181.44 3kgl h GLN 240 N 1.31 0.56 -0.18 0.00 4.20 -1.35 -2.68 115.11 116.97 3kgl h GLN 240 Ca 0.35 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3kgl h GLN 240 Cb -0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3kgl h GLN 240 CO -0.07 0.80 -0.04 1.96 -0.67 0.00 0.00 178.83 180.82 3kgl h GLN 241 N 0.48 0.27 0.00 1.46 4.20 -1.26 -2.41 115.11 117.86 3kgl h GLN 241 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3kgl h GLN 241 Cb 0.77 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3kgl h GLN 241 CO 0.06 0.33 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.44 3kgl h LEU 242 N 0.27 0.00 -0.12 1.46 3.38 -1.14 -2.61 115.31 116.54 3kgl h LEU 242 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kgl h LEU 242 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kgl h LEU 242 CO 0.01 0.04 -0.18 0.00 0.09 0.00 0.00 178.44 178.41 3kgl n GLN 243 N -3.67 0.34 -3.78 1.13 6.02 -0.91 -4.73 117.38 111.78 3kgl n GLN 243 Ca -0.02 -0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.61 3kgl n GLN 243 Cb 0.14 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 3kgl n GLN 243 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kgl n ASN 244 N -1.23 -0.94 -4.65 1.08 5.03 -0.99 -4.51 115.26 109.06 3kgl n ASN 244 Ca 0.10 -0.79 -0.43 0.00 0.87 0.00 0.00 54.58 54.34 3kgl n ASN 244 Cb 0.31 -0.96 -0.03 0.00 -1.02 0.00 0.00 39.78 38.08 3kgl n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgl n GLN 245 N -3.33 2.66 -0.98 3.52 6.02 -1.26 -2.35 117.38 121.66 3kgl n GLN 245 Ca -0.13 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3kgl n GLN 245 Cb 0.38 -3.03 0.00 0.00 1.02 0.00 0.00 30.24 28.61 3kgl n GLN 245 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kgl n GLN 246 N 7.72 -0.35 -1.64 -1.09 1.13 -1.26 -4.98 117.38 116.91 3kgl n GLN 246 Ca 0.22 0.09 -0.46 0.00 -1.94 0.00 0.00 57.00 54.91 3kgl n GLN 246 Cb 0.41 -3.34 -0.04 0.00 0.11 0.00 0.00 30.24 27.38 3kgl n GLN 246 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kgl n ASP 247 N -0.17 3.52 -0.62 1.08 2.03 -0.99 -4.85 116.55 116.54 3kgl n ASP 247 Ca 0.00 0.78 0.11 0.00 0.52 0.00 0.00 54.79 56.20 3kgl n ASP 247 Cb 0.09 -1.44 0.36 0.00 -0.72 0.00 0.00 41.12 39.42 3kgl n ASP 247 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kgl n ASN 248 N 8.01 1.89 0.15 1.67 4.05 -1.26 -4.27 115.26 125.49 3kgl n ASN 248 Ca 0.25 -1.73 -0.00 0.00 0.45 0.00 0.00 54.58 53.55 3kgl n ASN 248 Cb 0.35 -0.11 0.25 0.00 1.23 0.00 0.00 39.78 41.50 3kgl n ASN 248 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 3kgl h ARG 249 N 2.55 0.06 0.00 1.20 3.08 -1.88 -3.44 114.38 115.95 3kgl h ARG 249 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kgl h ARG 249 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kgl h ARG 249 CO 0.00 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 179.84 3kgl n GLY 250 N -0.11 -1.95 0.04 0.04 0.00 -1.09 0.64 105.19 102.76 3kgl n GLY 250 Ca -0.02 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.67 3kgl n GLY 250 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kgl n ASN 251 N 0.70 0.85 -4.23 1.61 5.15 -1.24 -4.08 115.26 114.02 3kgl n ASN 251 Ca 0.00 -0.72 -0.37 0.00 -0.60 0.00 0.00 54.58 52.89 3kgl n ASN 251 Cb 0.00 0.63 -0.12 0.00 -0.53 0.00 0.00 39.78 39.76 3kgl n ASN 251 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kgl s ILE 252 N -2.95 3.66 0.29 -1.44 1.01 -1.26 -0.83 121.20 119.67 3kgl s ILE 252 Ca 0.11 -1.36 0.09 0.00 0.00 0.00 0.00 60.65 59.49 3kgl s ILE 252 Cb 0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3kgl s ILE 252 CO 0.77 -0.30 0.01 0.27 0.00 0.00 0.00 174.94 175.69 3kgl s ILE 253 N 1.34 3.23 0.15 2.92 -4.36 -0.37 -0.61 121.20 123.50 3kgl s ILE 253 Ca 0.00 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.18 3kgl s ILE 253 Cb -0.21 -2.83 -0.07 0.00 1.25 0.00 0.00 42.46 40.60 3kgl s ILE 253 CO 0.01 -0.32 1.00 -0.60 0.24 0.00 0.00 174.94 175.27 3kgl s ARG 254 N -3.70 4.69 -0.53 0.37 3.52 -1.26 -0.79 118.95 121.25 3kgl s ARG 254 Ca 0.33 1.54 -0.17 0.00 -0.13 0.00 0.00 55.73 57.31 3kgl s ARG 254 Cb -0.05 -3.33 0.11 0.00 -1.56 0.00 0.00 34.95 30.12 3kgl s ARG 254 CO 0.20 0.22 0.51 0.08 -0.81 0.00 0.00 175.30 175.50 3kgl s VAL 255 N -0.28 5.14 -0.26 7.11 1.01 0.83 -4.93 120.40 129.01 3kgl s VAL 255 Ca 0.47 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3kgl s VAL 255 Cb -0.26 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.82 3kgl s VAL 255 CO 0.32 -0.82 1.25 -1.10 0.00 0.00 0.00 175.10 174.75 3kgl s GLN 256 N 1.85 4.04 0.00 2.72 -1.52 -1.26 -4.93 119.66 120.55 3kgl s GLN 256 Ca 0.05 1.35 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 3kgl s GLN 256 Cb -0.27 -3.82 0.00 0.00 -0.22 0.00 0.00 33.01 28.70 3kgl s GLN 256 CO 0.05 -0.95 0.00 0.41 -0.25 0.00 0.00 175.29 174.55 3kgl n GLY 257 N 4.01 0.13 3.49 3.09 0.00 -1.26 -4.94 105.19 109.71 3kgl n GLY 257 Ca 0.14 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 3kgl n GLY 257 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgl s PRO 258 N -0.11 3.81 -0.78 1.61 0.05 -1.26 -4.92 135.00 133.40 3kgl s PRO 258 Ca 0.00 -1.95 -0.05 0.00 0.05 0.00 0.00 61.00 59.04 3kgl s PRO 258 Cb 0.00 -5.12 -0.07 0.00 0.05 0.00 0.00 34.50 29.36 3kgl s PRO 258 CO 0.00 -1.91 2.13 0.34 0.05 0.00 0.00 177.00 177.61 3kgl n PHE 259 N 6.89 1.16 -2.18 0.56 7.35 -1.26 -4.87 117.46 125.11 3kgl n PHE 259 Ca 0.33 -1.80 -0.41 0.00 -0.76 0.00 0.00 57.45 54.81 3kgl n PHE 259 Cb 0.47 -1.58 -0.03 0.00 0.35 0.00 0.00 39.48 38.69 3kgl n PHE 259 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3kgl s SER 260 N 3.26 5.74 0.00 -2.13 0.01 -1.26 -4.75 113.70 114.57 3kgl s SER 260 Ca 0.39 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.13 3kgl s SER 260 Cb 0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3kgl s SER 260 CO -0.03 -1.98 0.00 0.52 0.41 0.00 0.00 173.24 172.16 3kgl n VAL 261 N 7.09 0.00 -3.92 3.43 0.31 -1.26 -4.94 118.33 119.04 3kgl n VAL 261 Ca 0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.23 3kgl n VAL 261 Cb 0.50 -0.75 -0.17 0.00 -0.91 0.00 0.00 33.84 32.51 3kgl n VAL 261 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kgl s ILE 262 N -1.83 1.13 -0.13 2.52 1.01 -1.26 -4.73 121.20 117.91 3kgl s ILE 262 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3kgl s ILE 262 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 3kgl s ILE 262 CO 0.00 0.35 -0.24 0.54 0.00 0.00 0.00 174.94 175.60 3kgl n ARG 263 N 4.91 0.37 -3.86 2.79 5.12 -1.25 -4.80 116.66 119.93 3kgl n ARG 263 Ca -0.13 0.18 -0.34 0.00 -1.93 0.00 0.00 57.85 55.63 3kgl n ARG 263 Cb 0.50 -1.19 -0.13 0.00 -1.16 0.00 0.00 32.46 30.48 3kgl n ARG 263 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3kgl s PRO 264 N -2.31 1.86 -0.14 5.56 0.05 -1.26 -4.62 135.00 134.13 3kgl s PRO 264 Ca -0.20 -1.92 -0.29 0.00 0.05 0.00 0.00 61.00 58.65 3kgl s PRO 264 Cb 0.03 -3.46 -0.34 0.00 0.05 0.00 0.00 34.50 30.78 3kgl s PRO 264 CO 0.29 -1.04 1.61 -2.30 0.05 0.00 0.00 177.00 175.61 3kgl n PRO 265 N 4.35 0.01 -4.62 0.56 -0.02 -1.26 -4.79 135.00 129.23 3kgl n PRO 265 Ca 0.01 -1.04 -0.30 0.00 -2.02 0.00 0.00 63.50 60.14 3kgl n PRO 265 Cb 0.41 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 3kgl n PRO 265 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kgl s LEU 266 N 2.28 1.91 -0.13 2.45 0.05 -1.26 -5.12 118.68 118.86 3kgl s LEU 266 Ca 0.67 -0.51 -0.15 0.00 0.05 0.00 0.00 54.13 54.19 3kgl s LEU 266 Cb 0.12 -1.26 -0.05 0.00 -2.05 0.00 0.00 46.19 42.95 3kgl s LEU 266 CO 0.31 0.06 0.36 0.00 -0.55 0.00 0.00 176.35 176.52 3kgl s ARG 267 N 0.84 4.22 -0.10 1.48 1.70 -1.26 -5.17 118.95 120.66 3kgl s ARG 267 Ca -0.08 0.23 0.05 0.00 -0.47 0.00 0.00 55.73 55.45 3kgl s ARG 267 Cb -0.15 -3.40 -0.10 0.00 -0.57 0.00 0.00 34.95 30.73 3kgl s ARG 267 CO -0.01 0.28 -0.03 0.43 -1.08 0.00 0.00 175.30 174.89 3kgl n SER 268 N 3.37 2.89 0.00 -2.89 7.64 -1.26 -5.31 113.62 118.06 3kgl n SER 268 Ca -0.11 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.74 3kgl n SER 268 Cb 0.52 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 3kgl n SER 268 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3kgl n THR 281 N -2.58 0.00 -3.17 0.44 -2.24 -1.26 -5.38 114.28 100.09 3kgl n THR 281 Ca -0.18 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 3kgl n THR 281 Cb 0.76 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 3kgl n THR 281 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kgl n ILE 282 N 0.00 -0.19 0.13 2.28 5.41 -1.26 -4.93 119.36 120.81 3kgl n ILE 282 Ca 0.00 -4.41 0.19 0.00 1.00 0.00 0.00 62.75 59.53 3kgl n ILE 282 Cb 0.00 -0.25 0.77 0.00 -0.71 0.00 0.00 39.64 39.45 3kgl n ILE 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kgl n SER 284 N -3.71 5.26 -4.17 0.00 2.88 -1.26 -5.00 113.62 107.62 3kgl n SER 284 Ca 0.05 -3.15 -0.10 0.00 -1.33 0.00 0.00 58.87 54.34 3kgl n SER 284 Cb 0.53 -1.24 -0.10 0.00 -0.75 0.00 0.00 64.21 62.65 3kgl n SER 284 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kgl s ALA 285 N -1.65 0.96 -0.38 -1.46 0.00 -1.10 -5.12 121.76 113.01 3kgl s ALA 285 Ca 0.31 -1.40 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 3kgl s ALA 285 Cb -0.05 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3kgl s ALA 285 CO -0.06 -0.32 0.51 0.50 0.00 0.00 0.00 175.76 176.39 3kgl s ARG 286 N -3.90 3.46 0.00 0.00 3.52 -1.26 -4.92 118.95 115.84 3kgl s ARG 286 Ca 0.16 -0.32 0.13 0.00 -0.13 0.00 0.00 55.73 55.56 3kgl s ARG 286 Cb 0.06 -3.86 0.31 0.00 -1.56 0.00 0.00 34.95 29.90 3kgl s ARG 286 CO -0.03 -0.74 1.22 0.00 -0.81 0.00 0.00 175.30 174.95 3kgl s THR 288 N -1.02 1.36 0.13 0.00 2.01 -1.26 -1.27 115.64 115.59 3kgl s THR 288 Ca 0.25 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.71 3kgl s THR 288 Cb 0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 3kgl s THR 288 CO 0.18 0.41 -0.05 -0.62 -0.69 0.00 0.00 174.62 173.85 3kgl s ASP 289 N 1.00 1.30 -0.25 3.53 3.68 -0.24 -4.94 116.67 120.76 3kgl s ASP 289 Ca -0.07 -1.06 0.02 0.00 2.13 0.00 0.00 52.55 53.57 3kgl s ASP 289 Cb -0.15 0.08 0.05 0.00 -1.45 0.00 0.00 42.92 41.46 3kgl s ASP 289 CO -0.01 -0.47 -0.11 0.21 0.13 0.00 0.00 175.17 174.91 3kgl s ASN 290 N -3.11 4.20 0.14 -0.34 3.84 -1.26 1.00 114.94 119.41 3kgl s ASN 290 Ca 0.17 -1.28 0.25 0.00 0.21 0.00 0.00 52.86 52.21 3kgl s ASN 290 Cb 0.05 -1.49 0.53 0.00 -0.55 0.00 0.00 41.25 39.78 3kgl s ASN 290 CO -0.01 -0.17 1.49 0.18 -2.79 0.00 0.00 177.10 175.80 3kgl n LEU 291 N 4.48 0.72 0.00 3.21 4.77 -0.79 -3.22 117.00 126.17 3kgl n LEU 291 Ca -0.15 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 3kgl n LEU 291 Cb 0.43 -0.24 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 3kgl n LEU 291 CO 0.21 -0.09 0.58 0.47 -1.33 0.00 0.00 177.39 177.23 3kgl n ASP 292 N -2.13 0.00 -4.44 -1.43 8.00 -1.26 -4.66 116.55 110.63 3kgl n ASP 292 Ca 0.04 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 3kgl n ASP 292 Cb 0.43 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 3kgl n ASP 292 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kgl s ASP 293 N -1.53 6.01 0.00 -2.24 2.15 -1.20 -4.98 116.67 114.88 3kgl s ASP 293 Ca 0.14 -0.94 0.23 0.00 0.43 0.00 0.00 52.55 52.41 3kgl s ASP 293 Cb 0.06 -2.12 1.23 0.00 -0.30 0.00 0.00 42.92 41.79 3kgl s ASP 293 CO 0.11 -0.44 1.73 -2.65 -0.17 0.00 0.00 175.17 173.76 3kgl n PRO 294 N 5.11 0.48 0.07 4.34 -0.02 -1.26 -2.75 135.00 140.97 3kgl n PRO 294 Ca -0.11 0.05 0.13 0.00 -2.02 0.00 0.00 63.50 61.54 3kgl n PRO 294 Cb 0.47 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.82 3kgl n PRO 294 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3kgl n SER 295 N -1.17 0.64 -0.87 2.55 3.41 -1.26 -3.27 113.62 113.65 3kgl n SER 295 Ca 0.13 0.41 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 3kgl n SER 295 Cb 0.14 -0.46 0.24 0.00 -0.26 0.00 0.00 64.21 63.86 3kgl n SER 295 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kgl n ASN 296 N -2.06 3.46 -4.85 4.04 5.03 -1.11 -5.02 115.26 114.75 3kgl n ASN 296 Ca 0.05 -3.18 -0.32 0.00 0.87 0.00 0.00 54.58 52.00 3kgl n ASN 296 Cb 0.41 -0.55 -0.05 0.00 -1.02 0.00 0.00 39.78 38.56 3kgl n ASN 296 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kgl s ALA 297 N -2.92 3.22 0.11 5.41 0.00 -1.20 -4.45 121.76 121.92 3kgl s ALA 297 Ca 0.42 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 3kgl s ALA 297 Cb 0.35 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.43 3kgl s ALA 297 CO 0.06 0.14 1.27 -0.44 0.00 0.00 0.00 175.76 176.80 3kgl h ASP 298 N 1.80 0.69 -3.35 0.00 3.32 -1.64 -3.44 116.42 113.79 3kgl h ASP 298 Ca -0.48 -0.54 -0.39 0.00 0.02 0.00 0.00 57.03 55.64 3kgl h ASP 298 Cb 1.18 -0.21 -0.37 0.00 0.22 0.00 0.00 39.33 40.15 3kgl h ASP 298 CO 0.63 1.34 -0.76 0.54 -1.72 0.00 0.00 179.24 179.28 3kgl s VAL 299 N -3.32 0.22 -0.43 -1.35 0.11 -1.22 -5.06 120.40 109.34 3kgl s VAL 299 Ca -0.07 0.17 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 3kgl s VAL 299 Cb 0.08 -0.37 0.16 0.00 -1.53 0.00 0.00 36.38 34.72 3kgl s VAL 299 CO 0.89 0.21 0.33 -0.47 -3.33 0.00 0.00 175.10 172.73 3kgl s TYR 300 N 1.67 1.31 -0.20 1.54 5.04 -1.26 -1.95 117.35 123.51 3kgl s TYR 300 Ca -0.00 -2.33 -0.18 0.00 -2.44 0.00 0.00 57.07 52.11 3kgl s TYR 300 Cb -0.13 -1.13 -0.03 0.00 0.35 0.00 0.00 41.96 41.02 3kgl s TYR 300 CO -0.03 -0.80 0.51 0.15 -1.34 0.00 0.00 175.55 174.04 3kgl s LYS 301 N 0.06 4.19 0.45 4.97 1.02 -0.89 -4.99 119.74 124.56 3kgl s LYS 301 Ca 0.29 0.41 0.25 0.00 0.02 0.00 0.00 55.97 56.94 3kgl s LYS 301 Cb -0.02 -3.56 0.54 0.00 -0.52 0.00 0.00 37.83 34.27 3kgl s LYS 301 CO -0.16 -0.14 1.68 -1.35 -0.92 0.00 0.00 175.35 174.46 3kgl h PRO 302 N 7.44 0.00 0.07 -1.68 0.11 -1.99 0.67 132.00 136.62 3kgl h PRO 302 Ca -0.34 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.53 3kgl h PRO 302 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kgl h PRO 302 CO 0.74 0.03 -1.11 -0.56 -0.21 0.00 0.00 178.00 176.89 3kgl h GLN 303 N 0.00 0.17 0.03 1.05 -0.00 -2.04 -3.40 115.11 110.92 3kgl h GLN 303 Ca -0.00 -0.27 -0.36 0.00 -0.00 0.00 0.00 58.65 58.02 3kgl h GLN 303 Cb 0.92 0.10 -0.05 0.00 -0.00 0.00 0.00 27.48 28.45 3kgl h GLN 303 CO 0.00 1.11 -2.00 1.28 -0.00 0.00 0.00 178.83 179.22 3kgl n LEU 304 N -3.49 2.24 0.00 0.06 4.32 -1.11 -4.73 117.00 114.29 3kgl n LEU 304 Ca -0.05 0.26 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 3kgl n LEU 304 Cb 0.96 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3kgl n LEU 304 CO 0.51 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.88 3kgl n GLY 305 N 1.63 0.91 3.14 -0.72 0.00 0.23 -0.51 105.19 109.87 3kgl n GLY 305 Ca -0.41 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.58 3kgl n GLY 305 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kgl s TYR 306 N -2.39 0.54 -0.06 1.61 -0.85 -0.01 -2.09 117.35 114.10 3kgl s TYR 306 Ca 0.00 -1.01 0.01 0.00 -0.52 0.00 0.00 57.07 55.54 3kgl s TYR 306 Cb 0.00 -0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.03 3kgl s TYR 306 CO 0.00 -0.47 -0.05 0.42 -1.52 0.00 0.00 175.55 173.93 3kgl s ILE 307 N -3.95 0.67 0.27 -3.49 1.01 -0.82 -1.56 121.20 113.33 3kgl s ILE 307 Ca 0.12 -0.16 0.11 0.00 0.00 0.00 0.00 60.65 60.72 3kgl s ILE 307 Cb 0.07 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 3kgl s ILE 307 CO -0.06 0.27 -0.10 -0.44 0.00 0.00 0.00 174.94 174.61 3kgl s SER 308 N 1.18 4.07 -0.02 3.58 0.01 0.82 -1.55 113.70 121.78 3kgl s SER 308 Ca -0.06 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 3kgl s SER 308 Cb -0.14 -0.58 0.02 0.00 0.21 0.00 0.00 66.02 65.53 3kgl s SER 308 CO -0.01 0.03 0.04 -0.89 0.41 0.00 0.00 173.24 172.82 3kgl s THR 309 N -2.36 -0.03 -0.82 1.44 2.01 -1.26 -1.63 115.64 112.98 3kgl s THR 309 Ca 0.30 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 3kgl s THR 309 Cb -0.06 -0.09 0.21 0.00 0.01 0.00 0.00 72.50 72.58 3kgl s THR 309 CO 0.17 0.04 0.72 -0.22 -0.69 0.00 0.00 174.62 174.65 3kgl s LEU 310 N 0.53 5.99 0.78 4.42 0.20 -0.79 -4.95 118.68 124.87 3kgl s LEU 310 Ca -0.04 -3.09 -0.10 0.00 0.69 0.00 0.00 54.13 51.59 3kgl s LEU 310 Cb -0.06 -2.04 0.08 0.00 -0.43 0.00 0.00 46.19 43.74 3kgl s LEU 310 CO -0.02 -0.39 1.12 0.20 -0.29 0.00 0.00 176.35 176.97 3kgl s ASN 311 N 1.11 4.51 0.32 3.68 0.02 -1.26 -2.67 114.94 120.64 3kgl s ASN 311 Ca 0.21 0.57 0.24 0.00 -1.02 0.00 0.00 52.86 52.87 3kgl s ASN 311 Cb -0.13 -1.09 1.13 0.00 0.02 0.00 0.00 41.25 41.19 3kgl s ASN 311 CO -0.08 -1.85 1.73 0.77 0.02 0.00 0.00 177.10 177.69 3kgl h SER 312 N -0.90 0.00 -0.16 -1.22 4.64 -0.93 -1.11 113.55 113.87 3kgl h SER 312 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kgl h SER 312 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3kgl h SER 312 CO 0.61 0.00 0.09 1.88 -0.87 0.00 0.00 176.83 178.54 3kgl h TYR 313 N 0.00 0.22 0.00 4.77 0.05 -1.92 -3.11 116.97 116.98 3kgl h TYR 313 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3kgl h TYR 313 Cb 0.21 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 3kgl h TYR 313 CO 0.00 0.22 -0.02 -0.44 -1.05 0.00 0.00 178.16 176.87 3kgl h ASP 314 N 0.16 0.00 -3.74 3.88 5.19 -1.59 -3.39 116.42 116.93 3kgl h ASP 314 Ca 0.06 -0.78 -0.69 0.00 -0.62 0.00 0.00 57.03 55.00 3kgl h ASP 314 Cb 0.07 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 39.22 3kgl h ASP 314 CO -0.01 0.90 -0.26 -0.76 -3.12 0.00 0.00 179.24 175.99 3kgl s LEU 315 N -8.28 5.34 0.42 1.55 1.43 -0.78 -4.97 118.68 113.39 3kgl s LEU 315 Ca -0.15 -3.32 0.25 0.00 -1.03 0.00 0.00 54.13 49.89 3kgl s LEU 315 Cb -0.02 -1.86 1.30 0.00 0.03 0.00 0.00 46.19 45.64 3kgl s LEU 315 CO 0.54 -0.26 1.68 -0.65 0.23 0.00 0.00 176.35 177.88 3kgl h PRO 316 N 6.45 0.19 -0.65 1.29 0.11 -1.75 0.63 132.00 138.27 3kgl h PRO 316 Ca 0.07 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.36 3kgl h PRO 316 Cb 0.88 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3kgl h PRO 316 CO 0.77 0.13 0.57 0.97 -0.21 0.00 0.00 178.00 180.23 3kgl h ILE 317 N 0.20 0.43 0.00 4.15 6.09 -1.88 -1.12 117.51 125.37 3kgl h ILE 317 Ca 0.73 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 64.22 3kgl h ILE 317 Cb 2.16 0.57 -0.00 0.00 0.47 0.00 0.00 36.82 40.02 3kgl h ILE 317 CO -0.38 0.00 -0.03 -0.07 -3.07 0.00 0.00 178.15 174.60 3kgl h LEU 318 N 0.00 0.00 -2.04 2.19 3.38 -0.06 -2.06 115.31 116.72 3kgl h LEU 318 Ca 0.31 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.39 3kgl h LEU 318 Cb 1.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3kgl h LEU 318 CO -0.00 0.03 0.30 -0.09 0.09 0.00 0.00 178.44 178.77 3kgl h ARG 319 N 0.00 0.00 0.10 1.13 9.65 -1.39 -2.01 114.38 121.87 3kgl h ARG 319 Ca -0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.64 3kgl h ARG 319 Cb 0.12 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3kgl h ARG 319 CO 0.00 0.00 -1.23 0.74 2.80 0.00 0.00 179.97 182.29 3kgl h PHE 320 N 0.00 0.38 0.00 2.20 0.04 -1.58 -3.36 116.94 114.63 3kgl h PHE 320 Ca 0.18 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3kgl h PHE 320 Cb 0.78 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.92 3kgl h PHE 320 CO 0.00 1.48 0.00 -0.07 -0.60 0.00 0.00 178.31 179.12 3kgl h LEU 321 N -0.42 0.00 -1.59 1.54 4.07 -1.40 -3.47 115.31 114.04 3kgl h LEU 321 Ca -0.27 0.00 -0.44 0.00 0.08 0.00 0.00 57.88 57.26 3kgl h LEU 321 Cb 1.65 0.00 0.03 0.00 1.08 0.00 0.00 40.66 43.42 3kgl h LEU 321 CO 0.04 0.00 -0.81 0.54 -1.08 0.00 0.00 178.44 177.13 3kgl n ARG 322 N -2.63 -5.02 -3.69 1.13 1.74 -0.92 -4.89 116.66 102.38 3kgl n ARG 322 Ca -0.01 0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 57.54 3kgl n ARG 322 Cb 0.14 -5.23 -0.14 0.00 -1.02 0.00 0.00 32.46 26.21 3kgl n ARG 322 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kgl s LEU 323 N -6.84 0.07 0.29 0.55 1.43 -1.25 -3.09 118.68 109.83 3kgl s LEU 323 Ca 0.17 0.45 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 3kgl s LEU 323 Cb -0.08 0.52 -0.03 0.00 0.03 0.00 0.00 46.19 46.63 3kgl s LEU 323 CO 0.82 -0.21 0.22 -0.55 0.23 0.00 0.00 176.35 176.85 3kgl s SER 324 N 1.96 5.32 0.23 2.29 0.15 0.11 -4.41 113.70 119.35 3kgl s SER 324 Ca -0.02 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3kgl s SER 324 Cb -0.12 -1.16 -0.05 0.00 -1.71 0.00 0.00 66.02 62.98 3kgl s SER 324 CO -0.07 -0.17 0.06 0.00 1.20 0.00 0.00 173.24 174.26 3kgl s ALA 325 N -2.23 1.59 -0.30 5.45 0.00 -1.09 -0.90 121.76 124.29 3kgl s ALA 325 Ca 0.36 -1.77 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 3kgl s ALA 325 Cb -0.07 0.87 0.18 0.00 0.00 0.00 0.00 23.12 24.10 3kgl s ALA 325 CO 0.25 -0.41 0.59 -1.17 0.00 0.00 0.00 175.76 175.02 3kgl s LEU 326 N -3.26 -1.33 -0.03 0.00 0.20 0.09 -1.88 118.68 112.46 3kgl s LEU 326 Ca 0.33 0.87 -0.11 0.00 0.69 0.00 0.00 54.13 55.91 3kgl s LEU 326 Cb 0.07 2.11 -0.05 0.00 -0.43 0.00 0.00 46.19 47.89 3kgl s LEU 326 CO 0.10 -0.26 0.30 -0.60 -0.29 0.00 0.00 176.35 175.60 3kgl s ARG 327 N 2.84 3.70 0.01 1.98 6.06 -0.65 0.12 118.95 133.02 3kgl s ARG 327 Ca 0.19 0.15 -0.01 0.00 -2.50 0.00 0.00 55.73 53.56 3kgl s ARG 327 Cb -0.15 -3.17 -0.01 0.00 0.06 0.00 0.00 34.95 31.68 3kgl s ARG 327 CO -0.21 0.71 0.00 0.20 -2.50 0.00 0.00 175.30 173.50 3kgl s GLY 328 N -1.20 0.15 -0.20 8.12 0.00 -0.46 -0.13 107.32 113.61 3kgl s GLY 328 Ca 0.22 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 3kgl s GLY 328 CO 0.11 -0.42 0.32 -0.45 0.00 0.00 0.00 173.10 172.66 3kgl s SER 329 N -1.04 0.51 0.05 1.64 0.15 -0.60 -0.37 113.70 114.04 3kgl s SER 329 Ca -0.11 0.28 0.05 0.00 0.70 0.00 0.00 55.95 56.87 3kgl s SER 329 Cb -0.07 0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 3kgl s SER 329 CO -0.00 -0.29 -0.14 0.27 1.20 0.00 0.00 173.24 174.28 3kgl s ILE 330 N 2.47 1.13 0.61 6.45 -4.36 0.16 -0.83 121.20 126.83 3kgl s ILE 330 Ca 0.07 -1.09 -0.16 0.00 -0.26 0.00 0.00 60.65 59.21 3kgl s ILE 330 Cb -0.14 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.50 3kgl s ILE 330 CO -0.13 -0.05 1.08 -0.13 0.24 0.00 0.00 174.94 175.95 3kgl s ARG 331 N -1.31 3.14 0.29 0.37 1.81 0.33 -0.59 118.95 122.99 3kgl s ARG 331 Ca 0.01 1.31 -0.23 0.00 -1.72 0.00 0.00 55.73 55.10 3kgl s ARG 331 Cb -0.08 -2.00 -0.15 0.00 -0.45 0.00 0.00 34.95 32.26 3kgl s ARG 331 CO 0.02 -0.97 0.27 0.94 -0.68 0.00 0.00 175.30 174.88 3kgl n GLN 332 N -2.09 0.00 -0.11 3.54 7.27 0.39 -1.91 117.38 124.47 3kgl n GLN 332 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3kgl n GLN 332 Cb 0.52 -0.94 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3kgl n GLN 332 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3kgl n ASN 333 N 2.06 0.00 -4.77 1.69 3.02 -0.43 -4.94 115.26 111.88 3kgl n ASN 333 Ca 0.14 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 3kgl n ASN 333 Cb 0.31 -0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 38.82 3kgl n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kgl s ALA 334 N -2.29 3.17 -0.07 5.41 0.00 -0.80 -2.76 121.76 124.42 3kgl s ALA 334 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.09 3kgl s ALA 334 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3kgl s ALA 334 CO 0.00 -0.69 -0.22 1.41 0.00 0.00 0.00 175.76 176.26 3kgl s MET 335 N -2.31 2.56 -0.40 0.00 1.75 -0.50 -1.55 119.30 118.85 3kgl s MET 335 Ca 0.58 -0.80 -0.22 0.00 -1.25 0.00 0.00 55.69 54.01 3kgl s MET 335 Cb -0.34 -2.05 0.01 0.00 2.84 0.00 0.00 34.83 35.30 3kgl s MET 335 CO 0.43 0.23 0.70 0.08 -0.65 0.00 0.00 175.02 175.81 3kgl s VAL 336 N 0.18 4.79 0.46 10.11 1.01 0.65 -1.80 120.40 135.80 3kgl s VAL 336 Ca -0.12 0.48 -0.24 0.00 0.00 0.00 0.00 61.98 62.11 3kgl s VAL 336 Cb -0.16 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3kgl s VAL 336 CO 0.06 -0.50 1.10 0.18 0.00 0.00 0.00 175.10 175.94 3kgl n LEU 337 N 6.32 3.36 -4.56 3.92 4.77 -0.22 -2.83 117.00 127.76 3kgl n LEU 337 Ca 0.00 1.02 -0.54 0.00 -0.03 0.00 0.00 56.01 56.46 3kgl n LEU 337 Cb 0.48 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.08 3kgl n LEU 337 CO 0.53 -1.24 1.57 -2.65 -1.33 0.00 0.00 177.39 174.27 3kgl n PRO 338 N -0.13 1.11 -4.13 3.23 -0.02 -1.25 -4.83 135.00 128.98 3kgl n PRO 338 Ca 0.09 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3kgl n PRO 338 Cb 0.41 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 3kgl n PRO 338 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3kgl s GLN 339 N 4.89 0.78 0.05 -0.52 -2.07 -0.35 0.34 119.66 122.79 3kgl s GLN 339 Ca 1.04 -1.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.27 3kgl s GLN 339 Cb -0.99 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.02 3kgl s GLN 339 CO 0.58 -0.14 -0.07 1.67 -1.32 0.00 0.00 175.29 176.01 3kgl s TRP 340 N -3.89 0.67 -0.09 9.60 -2.14 -0.19 -0.97 118.94 121.93 3kgl s TRP 340 Ca 0.14 -0.64 -0.27 0.00 2.66 0.00 0.00 56.10 57.99 3kgl s TRP 340 Cb 0.07 -0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 30.01 3kgl s TRP 340 CO -0.05 -0.13 0.89 -0.80 -2.66 0.00 0.00 176.95 174.20 3kgl s ASN 341 N -2.01 7.15 0.12 -2.66 0.01 -1.26 -0.86 114.94 115.43 3kgl s ASN 341 Ca -0.04 1.40 -0.09 0.00 -0.71 0.00 0.00 52.86 53.41 3kgl s ASN 341 Cb -0.05 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.00 3kgl s ASN 341 CO -0.02 -0.32 1.32 0.00 -1.51 0.00 0.00 177.10 176.57 3kgl h ALA 342 N 7.01 0.36 -0.23 0.60 0.00 -0.14 -2.87 119.26 124.00 3kgl h ALA 342 Ca -0.35 -0.63 -0.22 0.00 0.00 0.00 0.00 54.91 53.71 3kgl h ALA 342 Cb 1.17 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.60 3kgl h ALA 342 CO 0.80 0.72 -0.97 0.27 0.00 0.00 0.00 179.25 180.07 3kgl n ASN 343 N -3.88 1.73 -3.56 0.00 6.94 -1.26 -4.80 115.26 110.43 3kgl n ASN 343 Ca -0.07 -2.46 -0.15 0.00 -0.02 0.00 0.00 54.58 51.88 3kgl n ASN 343 Cb 0.77 -0.40 -0.06 0.00 -2.36 0.00 0.00 39.78 37.73 3kgl n ASN 343 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kgl s ALA 344 N -2.14 -1.83 0.28 -2.53 0.00 -1.26 -4.66 121.76 109.62 3kgl s ALA 344 Ca 0.34 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 3kgl s ALA 344 Cb 0.37 -0.45 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3kgl s ALA 344 CO -0.09 -0.34 1.02 -0.80 0.00 0.00 0.00 175.76 175.55 3kgl s ASN 345 N -0.86 7.38 0.46 0.00 0.01 -1.26 -3.12 114.94 117.55 3kgl s ASN 345 Ca -0.06 2.10 0.05 0.00 -0.71 0.00 0.00 52.86 54.24 3kgl s ASN 345 Cb -0.01 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 3kgl s ASN 345 CO 0.05 -0.05 0.04 0.00 -1.51 0.00 0.00 177.10 175.64 3kgl s ALA 346 N -1.24 3.64 -0.17 0.60 0.00 -0.34 -0.70 121.76 123.56 3kgl s ALA 346 Ca 0.44 -1.47 -0.07 0.00 0.00 0.00 0.00 51.96 50.87 3kgl s ALA 346 Cb -0.28 0.03 0.08 0.00 0.00 0.00 0.00 23.12 22.95 3kgl s ALA 346 CO 0.35 -0.10 0.37 0.08 0.00 0.00 0.00 175.76 176.46 3kgl s VAL 347 N -2.77 -0.47 -0.20 0.00 1.01 0.20 -1.98 120.40 116.20 3kgl s VAL 347 Ca 0.24 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 3kgl s VAL 347 Cb 0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3kgl s VAL 347 CO 0.12 0.08 -0.03 -0.22 0.00 0.00 0.00 175.10 175.05 3kgl s LEU 348 N 2.32 3.07 -0.10 3.92 0.20 0.15 -0.99 118.68 127.25 3kgl s LEU 348 Ca -0.02 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3kgl s LEU 348 Cb -0.11 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 3kgl s LEU 348 CO -0.11 0.05 -0.16 -0.47 -0.29 0.00 0.00 176.35 175.37 3kgl s TYR 349 N 1.04 2.72 -0.22 5.38 5.04 -0.27 0.11 117.35 131.14 3kgl s TYR 349 Ca 0.01 -0.57 -0.17 0.00 -2.44 0.00 0.00 57.07 53.90 3kgl s TYR 349 Cb -0.15 -1.75 -0.03 0.00 0.35 0.00 0.00 41.96 40.38 3kgl s TYR 349 CO 0.01 -0.13 0.44 0.08 -1.34 0.00 0.00 175.55 174.61 3kgl s VAL 350 N 0.02 5.15 -0.13 3.14 1.01 -0.81 -1.41 120.40 127.38 3kgl s VAL 350 Ca -0.05 0.77 0.21 0.00 0.00 0.00 0.00 61.98 62.90 3kgl s VAL 350 Cb -0.15 -3.77 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 3kgl s VAL 350 CO 0.05 0.19 0.65 0.35 0.00 0.00 0.00 175.10 176.33 3kgl n THR 351 N 4.68 0.59 -3.66 3.92 -2.24 0.69 -0.20 114.28 118.06 3kgl n THR 351 Ca -0.07 -0.60 -0.08 0.00 -2.27 0.00 0.00 64.05 61.04 3kgl n THR 351 Cb 0.51 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 3kgl n THR 351 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kgl s ASP 352 N -5.13 -0.59 0.00 3.42 1.01 -0.77 -4.80 116.67 109.82 3kgl s ASP 352 Ca -0.05 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.35 3kgl s ASP 352 Cb 0.11 1.34 0.00 0.00 1.01 0.00 0.00 42.92 45.38 3kgl s ASP 352 CO 0.85 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.62 3kgl n GLY 353 N 4.90 -1.23 3.32 0.21 0.00 -1.26 -0.30 105.19 110.83 3kgl n GLY 353 Ca -0.15 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 3kgl n GLY 353 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgl s GLU 354 N 0.00 0.90 0.02 1.61 -1.05 -1.26 -1.84 118.70 117.08 3kgl s GLU 354 Ca 0.00 -0.33 -0.09 0.00 -0.15 0.00 0.00 54.97 54.40 3kgl s GLU 354 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3kgl s GLU 354 CO 0.00 -0.30 0.18 0.00 0.95 0.00 0.00 175.26 176.09 3kgl s ALA 355 N -2.32 -0.38 -0.20 -0.84 0.00 -0.89 -0.96 121.76 116.16 3kgl s ALA 355 Ca -0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 3kgl s ALA 355 Cb -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 3kgl s ALA 355 CO -0.01 -0.29 0.42 -1.58 0.00 0.00 0.00 175.76 174.29 3kgl s HIS 356 N -2.00 3.37 0.10 0.00 2.46 -0.28 -1.64 115.29 117.30 3kgl s HIS 356 Ca -0.10 0.63 0.07 0.00 0.47 0.00 0.00 55.06 56.14 3kgl s HIS 356 Cb -0.04 -2.55 -0.03 0.00 -0.13 0.00 0.00 32.58 29.82 3kgl s HIS 356 CO -0.01 -0.04 -0.17 0.14 -2.47 0.00 0.00 174.74 172.19 3kgl s VAL 357 N 1.40 1.48 -0.05 0.89 -7.23 -0.91 -0.85 120.40 115.12 3kgl s VAL 357 Ca 0.20 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3kgl s VAL 357 Cb -0.15 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3kgl s VAL 357 CO 0.08 -0.21 -0.15 -1.10 -0.31 0.00 0.00 175.10 173.41 3kgl s GLN 358 N -2.11 1.76 -0.13 4.82 -0.21 -0.40 -2.83 119.66 120.55 3kgl s GLN 358 Ca 0.06 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.92 3kgl s GLN 358 Cb -0.08 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.43 3kgl s GLN 358 CO 0.04 0.16 -0.17 0.08 -2.12 0.00 0.00 175.29 173.27 3kgl s VAL 359 N 0.28 2.59 -0.21 1.09 1.01 -0.75 -1.03 120.40 123.38 3kgl s VAL 359 Ca -0.08 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 3kgl s VAL 359 Cb -0.13 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kgl s VAL 359 CO 0.03 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 174.84 3kgl s VAL 360 N 0.52 2.50 0.00 2.92 1.01 0.18 -0.64 120.40 126.90 3kgl s VAL 360 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.93 3kgl s VAL 360 Cb -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3kgl s VAL 360 CO 0.04 0.39 0.00 -0.46 0.00 0.00 0.00 175.10 175.07 3kgl n ASN 361 N 4.65 -0.26 -0.01 3.32 0.23 -1.07 -1.53 115.26 120.59 3kgl n ASN 361 Ca -0.19 -0.75 0.15 0.00 -0.53 0.00 0.00 54.58 53.27 3kgl n ASN 361 Cb 0.49 0.00 0.84 0.00 -2.08 0.00 0.00 39.78 39.03 3kgl n ASN 361 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kgl n ASP 362 N -2.64 0.02 -0.20 0.53 5.75 -1.26 -2.34 116.55 116.40 3kgl n ASP 362 Ca 0.00 -0.54 0.11 0.00 -0.01 0.00 0.00 54.79 54.35 3kgl n ASP 362 Cb 0.00 -0.15 0.07 0.00 -1.03 0.00 0.00 41.12 40.01 3kgl n ASP 362 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kgl n ASN 363 N -1.14 1.25 0.00 -1.12 5.15 -1.26 -4.93 115.26 113.20 3kgl n ASN 363 Ca 0.19 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 3kgl n ASN 363 Cb 0.18 0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 3kgl n ASN 363 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kgl n GLY 364 N 1.45 0.62 3.85 8.20 0.00 -0.99 -5.04 105.19 113.27 3kgl n GLY 364 Ca 0.07 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3kgl n GLY 364 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgl s ASP 365 N -2.03 6.79 -0.35 1.61 1.01 -1.26 -4.91 116.67 117.52 3kgl s ASP 365 Ca 0.00 1.26 -0.27 0.00 0.71 0.00 0.00 52.55 54.25 3kgl s ASP 365 Cb 0.00 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.58 3kgl s ASP 365 CO 0.00 -0.16 0.97 -0.60 0.21 0.00 0.00 175.17 175.59 3kgl s ARG 366 N -2.84 3.91 0.00 8.23 3.52 -1.26 -2.60 118.95 127.92 3kgl s ARG 366 Ca 0.52 0.72 0.21 0.00 -0.13 0.00 0.00 55.73 57.06 3kgl s ARG 366 Cb -0.11 -3.78 0.09 0.00 -1.56 0.00 0.00 34.95 29.59 3kgl s ARG 366 CO 0.18 -0.93 1.11 1.33 -0.81 0.00 0.00 175.30 176.18 3kgl n VAL 367 N 5.94 0.00 -3.64 7.11 0.24 0.18 -4.90 118.33 123.27 3kgl n VAL 367 Ca 0.08 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 3kgl n VAL 367 Cb 0.48 1.35 -0.07 0.00 -1.47 0.00 0.00 33.84 34.13 3kgl n VAL 367 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3kgl s PHE 368 N -2.05 -0.75 -0.49 6.34 5.36 -1.17 0.10 117.98 125.32 3kgl s PHE 368 Ca 0.21 1.69 0.06 0.00 -0.96 0.00 0.00 56.93 57.94 3kgl s PHE 368 Cb 0.17 0.39 0.23 0.00 -0.34 0.00 0.00 43.02 43.47 3kgl s PHE 368 CO 0.39 -0.37 0.81 -3.47 -1.46 0.00 0.00 175.22 171.13 3kgl n ASP 369 N 3.11 -2.84 -1.18 6.13 2.03 -1.26 -1.80 116.55 120.74 3kgl n ASP 369 Ca -0.16 -3.15 -0.01 0.00 0.52 0.00 0.00 54.79 51.99 3kgl n ASP 369 Cb 0.57 1.63 0.00 0.00 -0.72 0.00 0.00 41.12 42.60 3kgl n ASP 369 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kgl n GLY 370 N 2.01 2.02 3.83 0.27 0.00 -1.13 -4.99 105.19 107.21 3kgl n GLY 370 Ca 0.13 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 3kgl n GLY 370 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kgl s GLN 371 N -2.02 4.12 -0.02 1.61 2.00 -1.26 -2.15 119.66 121.93 3kgl s GLN 371 Ca 0.02 0.87 0.00 0.00 -2.00 0.00 0.00 55.36 54.25 3kgl s GLN 371 Cb -0.00 -2.37 0.02 0.00 0.80 0.00 0.00 33.01 31.46 3kgl s GLN 371 CO 0.01 0.10 0.00 0.54 -0.50 0.00 0.00 175.29 175.44 3kgl s VAL 372 N -2.03 0.13 0.24 1.34 0.11 -0.65 -4.90 120.40 114.64 3kgl s VAL 372 Ca 0.57 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.70 3kgl s VAL 372 Cb -0.10 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3kgl s VAL 372 CO 0.16 0.11 0.18 -0.94 -3.33 0.00 0.00 175.10 171.29 3kgl s SER 373 N 0.82 0.61 -0.32 3.54 1.04 -1.26 -2.09 113.70 116.04 3kgl s SER 373 Ca -0.08 -1.50 -0.35 0.00 0.48 0.00 0.00 55.95 54.51 3kgl s SER 373 Cb -0.11 0.44 -0.15 0.00 0.10 0.00 0.00 66.02 66.29 3kgl s SER 373 CO -0.02 -0.91 1.15 1.67 0.98 0.00 0.00 173.24 176.11 3kgl n GLN 374 N -0.38 0.00 -0.24 4.02 7.27 -0.77 -1.37 117.38 125.91 3kgl n GLN 374 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3kgl n GLN 374 Cb 0.65 -1.14 0.00 0.00 2.41 0.00 0.00 30.24 32.16 3kgl n GLN 374 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 375 N 2.72 1.16 3.89 1.69 0.00 0.73 -4.98 105.19 110.39 3kgl n GLY 375 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3kgl n GLY 375 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgl s GLN 376 N -0.49 3.71 -0.07 1.61 -0.21 -0.47 -4.79 119.66 118.94 3kgl s GLN 376 Ca 0.00 0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.70 3kgl s GLN 376 Cb 0.00 -2.48 0.01 0.00 1.00 0.00 0.00 33.01 31.54 3kgl s GLN 376 CO 0.00 0.04 -0.15 -1.17 -2.12 0.00 0.00 175.29 171.89 3kgl s LEU 377 N -3.80 1.76 -0.09 2.90 2.96 -0.09 -1.93 118.68 120.39 3kgl s LEU 377 Ca 0.48 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3kgl s LEU 377 Cb -0.10 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.63 3kgl s LEU 377 CO 0.32 0.07 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.98 3kgl s LEU 378 N 0.57 1.98 -0.04 -0.68 2.96 0.30 -0.40 118.68 123.36 3kgl s LEU 378 Ca -0.15 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 3kgl s LEU 378 Cb -0.16 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 3kgl s LEU 378 CO 0.05 0.13 0.52 -0.55 -1.32 0.00 0.00 176.35 175.18 3kgl s SER 379 N 0.38 6.86 -0.40 3.68 0.15 -1.26 0.29 113.70 123.40 3kgl s SER 379 Ca -0.17 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.52 3kgl s SER 379 Cb -0.17 -2.32 0.14 0.00 -1.71 0.00 0.00 66.02 61.97 3kgl s SER 379 CO 0.07 0.12 0.24 -0.63 1.20 0.00 0.00 173.24 174.25 3kgl s ILE 380 N -0.15 0.66 0.83 6.45 1.01 -0.84 -4.96 121.20 124.20 3kgl s ILE 380 Ca 0.28 -2.18 -0.11 0.00 0.00 0.00 0.00 60.65 58.63 3kgl s ILE 380 Cb -0.17 -1.47 0.09 0.00 0.01 0.00 0.00 42.46 40.92 3kgl s ILE 380 CO 0.14 -0.99 1.14 -2.84 0.00 0.00 0.00 174.94 172.40 3kgl s PRO 381 N 0.63 1.67 -0.15 2.79 0.02 -1.26 -1.19 135.00 137.51 3kgl s PRO 381 Ca 0.20 1.48 -0.39 0.00 0.02 0.00 0.00 61.00 62.31 3kgl s PRO 381 Cb -0.19 -1.81 -0.16 0.00 0.02 0.00 0.00 34.50 32.36 3kgl s PRO 381 CO -0.02 -2.14 1.61 0.94 -0.33 0.00 0.00 177.00 177.06 3kgl n GLN 382 N -3.65 1.18 0.00 5.54 7.27 -1.18 -2.00 117.38 124.54 3kgl n GLN 382 Ca 0.11 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.61 3kgl n GLN 382 Cb 0.52 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.06 3kgl n GLN 382 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgl n GLY 383 N 3.63 2.84 3.72 1.69 0.00 -1.08 -4.98 105.19 111.01 3kgl n GLY 383 Ca 0.24 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3kgl n GLY 383 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kgl n PHE 384 N 0.00 2.56 -4.15 1.61 3.01 -0.85 -4.86 117.46 114.78 3kgl n PHE 384 Ca 0.00 0.37 -0.35 0.00 1.01 0.00 0.00 57.45 58.48 3kgl n PHE 384 Cb 0.00 -2.52 -0.09 0.00 -0.01 0.00 0.00 39.48 36.86 3kgl n PHE 384 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3kgl s SER 385 N 0.27 5.64 0.06 4.37 0.01 -0.58 -4.36 113.70 119.11 3kgl s SER 385 Ca 0.63 0.22 0.05 0.00 1.31 0.00 0.00 55.95 58.16 3kgl s SER 385 Cb -0.56 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 3kgl s SER 385 CO 0.52 0.34 -0.14 -0.69 0.41 0.00 0.00 173.24 173.68 3kgl s VAL 386 N -0.61 1.08 -0.01 3.43 1.01 -0.14 0.52 120.40 125.67 3kgl s VAL 386 Ca 0.11 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.90 3kgl s VAL 386 Cb -0.12 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3kgl s VAL 386 CO 0.02 -0.18 -0.06 0.54 0.00 0.00 0.00 175.10 175.43 3kgl s VAL 387 N -1.17 0.51 -0.03 2.92 0.11 -0.20 -1.21 120.40 121.34 3kgl s VAL 387 Ca -0.02 -0.23 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3kgl s VAL 387 Cb -0.09 -0.46 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 3kgl s VAL 387 CO 0.02 0.16 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.19 3kgl s LYS 388 N 0.13 1.97 -0.16 1.54 1.02 -1.13 -1.28 119.74 121.83 3kgl s LYS 388 Ca -0.01 -0.80 -0.01 0.00 0.02 0.00 0.00 55.97 55.16 3kgl s LYS 388 Cb -0.06 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.48 3kgl s LYS 388 CO -0.00 0.43 -0.01 0.50 -0.92 0.00 0.00 175.35 175.35 3kgl s ARG 389 N -0.37 0.98 0.52 1.68 3.52 -0.03 -0.25 118.95 125.01 3kgl s ARG 389 Ca 0.04 -0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 55.04 3kgl s ARG 389 Cb -0.10 -1.88 -0.07 0.00 -1.56 0.00 0.00 34.95 31.34 3kgl s ARG 389 CO 0.01 -0.50 1.14 0.00 -0.81 0.00 0.00 175.30 175.14 3kgl n ALA 390 N 4.98 0.77 0.00 6.12 0.00 -0.60 -1.12 120.51 130.67 3kgl n ALA 390 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kgl n ALA 390 Cb 0.48 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3kgl n ALA 390 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kgl n THR 391 N -1.06 0.00 -2.51 0.00 -1.04 -0.13 -1.32 114.28 108.23 3kgl n THR 391 Ca 0.11 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 3kgl n THR 391 Cb 0.44 -0.37 0.10 0.00 -1.82 0.00 0.00 70.33 68.67 3kgl n THR 391 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3kgl n SER 392 N -1.22 1.06 -0.16 8.00 3.41 -1.03 -4.86 113.62 118.81 3kgl n SER 392 Ca 0.00 -1.91 -0.04 0.00 -0.26 0.00 0.00 58.87 56.66 3kgl n SER 392 Cb 0.22 -0.55 0.06 0.00 -0.26 0.00 0.00 64.21 63.68 3kgl n SER 392 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kgl h GLU 393 N 0.00 0.42 -3.96 4.33 5.08 -1.93 -3.14 114.58 115.38 3kgl h GLU 393 Ca -0.27 -0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 57.70 3kgl h GLU 393 Cb 1.00 -0.10 -0.32 0.00 0.50 0.00 0.00 28.75 29.83 3kgl h GLU 393 CO 0.29 0.28 -0.76 -1.14 -1.00 0.00 0.00 179.01 176.68 3kgl s GLN 394 N -6.13 0.50 -0.21 2.33 0.74 -1.26 -0.46 119.66 115.17 3kgl s GLN 394 Ca -0.13 -0.05 -0.08 0.00 0.05 0.00 0.00 55.36 55.15 3kgl s GLN 394 Cb 0.14 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 3kgl s GLN 394 CO 0.73 -0.05 0.09 0.12 -0.55 0.00 0.00 175.29 175.63 3kgl s PHE 395 N 0.68 3.22 -0.04 1.67 5.36 0.24 -4.09 117.98 125.02 3kgl s PHE 395 Ca -0.08 0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 3kgl s PHE 395 Cb -0.11 -2.16 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 3kgl s PHE 395 CO -0.01 0.02 -0.02 1.03 -1.46 0.00 0.00 175.22 174.78 3kgl s ARG 396 N 0.82 0.59 0.24 10.12 0.52 0.59 -0.67 118.95 131.17 3kgl s ARG 396 Ca 0.05 -0.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.26 3kgl s ARG 396 Cb -0.13 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.57 3kgl s ARG 396 CO 0.02 -0.13 0.11 1.67 0.02 0.00 0.00 175.30 176.99 3kgl s TRP 397 N 1.10 1.43 -0.04 -0.53 -2.14 0.50 -0.22 118.94 119.05 3kgl s TRP 397 Ca -0.08 -1.24 0.01 0.00 2.66 0.00 0.00 56.10 57.44 3kgl s TRP 397 Cb -0.14 -0.80 0.02 0.00 -3.10 0.00 0.00 33.47 29.45 3kgl s TRP 397 CO -0.01 -0.43 -0.05 -1.50 -2.66 0.00 0.00 176.95 172.30 3kgl s ILE 398 N -3.87 0.56 -0.12 0.66 1.10 -0.50 -1.35 121.20 117.69 3kgl s ILE 398 Ca 0.38 -0.15 -0.02 0.00 -0.51 0.00 0.00 60.65 60.35 3kgl s ILE 398 Cb 0.08 -0.58 -0.03 0.00 0.15 0.00 0.00 42.46 42.08 3kgl s ILE 398 CO 0.13 0.23 -0.05 -1.61 -2.11 0.00 0.00 174.94 171.53 3kgl s GLU 399 N 0.84 3.30 -0.18 3.50 2.02 0.12 -1.12 118.70 127.18 3kgl s GLU 399 Ca -0.12 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 3kgl s GLU 399 Cb -0.14 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 3kgl s GLU 399 CO 0.01 0.42 -0.02 -0.06 0.02 0.00 0.00 175.26 175.62 3kgl s PHE 400 N -0.14 3.01 0.01 1.61 0.08 -0.16 -0.73 117.98 121.66 3kgl s PHE 400 Ca 0.02 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.68 3kgl s PHE 400 Cb -0.13 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 3kgl s PHE 400 CO 0.03 -0.20 -0.17 0.15 -0.10 0.00 0.00 175.22 174.92 3kgl s LYS 401 N 0.79 2.22 -0.34 0.44 1.02 -0.07 -0.62 119.74 123.16 3kgl s LYS 401 Ca -0.01 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 3kgl s LYS 401 Cb -0.14 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 3kgl s LYS 401 CO 0.02 0.57 3.03 0.25 -0.92 0.00 0.00 175.35 178.30 3kgl n THR 402 N 1.86 3.27 -3.68 2.17 -2.24 0.13 -0.41 114.28 115.38 3kgl n THR 402 Ca -0.16 -2.57 -0.13 0.00 -2.27 0.00 0.00 64.05 58.92 3kgl n THR 402 Cb 0.52 -1.73 -0.09 0.00 -2.10 0.00 0.00 70.33 66.93 3kgl n THR 402 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kgl s ASN 403 N 0.87 -0.60 0.44 3.42 3.84 -1.18 -4.72 114.94 117.02 3kgl s ASN 403 Ca 0.61 1.14 0.11 0.00 0.21 0.00 0.00 52.86 54.93 3kgl s ASN 403 Cb 0.36 1.15 1.00 0.00 -0.55 0.00 0.00 41.25 43.21 3kgl s ASN 403 CO -0.15 -0.20 2.06 0.00 -2.79 0.00 0.00 177.10 176.02 3kgl h ALA 404 N 5.36 1.86 -3.30 1.71 0.00 -1.77 0.33 119.26 123.45 3kgl h ALA 404 Ca -0.28 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 3kgl h ALA 404 Cb 1.17 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 3kgl h ALA 404 CO 0.15 0.09 -0.76 1.21 0.00 0.00 0.00 179.25 179.94 3kgl s ASN 405 N -6.66 3.69 0.15 0.00 3.04 -1.26 -0.32 114.94 113.58 3kgl s ASN 405 Ca -0.07 -1.33 -0.30 0.00 0.04 0.00 0.00 52.86 51.20 3kgl s ASN 405 Cb 0.18 -0.87 -0.07 0.00 -1.54 0.00 0.00 41.25 38.95 3kgl s ASN 405 CO 0.72 -0.35 0.97 0.00 -3.04 0.00 0.00 177.10 175.41 3kgl s ALA 406 N 1.62 3.28 -0.42 1.71 0.00 -1.25 -4.98 121.76 121.72 3kgl s ALA 406 Ca 0.04 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 3kgl s ALA 406 Cb -0.18 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.72 3kgl s ALA 406 CO -0.16 0.01 0.29 -1.14 0.00 0.00 0.00 175.76 174.76 3kgl s GLN 407 N -0.35 2.85 -0.27 0.00 2.00 -1.26 -5.04 119.66 117.60 3kgl s GLN 407 Ca 0.46 -1.22 -0.22 0.00 -2.00 0.00 0.00 55.36 52.38 3kgl s GLN 407 Cb -0.25 -3.91 -0.01 0.00 0.80 0.00 0.00 33.01 29.64 3kgl s GLN 407 CO 0.31 -0.86 0.70 0.42 -0.50 0.00 0.00 175.29 175.36 3kgl s ILE 408 N 1.58 4.91 -0.16 -2.34 1.01 -1.26 0.66 121.20 125.60 3kgl s ILE 408 Ca 0.03 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.82 3kgl s ILE 408 Cb -0.21 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3kgl s ILE 408 CO 0.06 -0.06 0.03 0.20 0.00 0.00 0.00 174.94 175.18 3kgl s ASN 409 N 1.49 5.42 0.09 3.58 -0.87 -0.04 -4.95 114.94 119.68 3kgl s ASN 409 Ca 0.29 0.06 -0.02 0.00 -1.57 0.00 0.00 52.86 51.61 3kgl s ASN 409 Cb -0.15 -1.87 -0.05 0.00 -0.02 0.00 0.00 41.25 39.16 3kgl s ASN 409 CO 0.09 0.21 0.28 0.28 -2.57 0.00 0.00 177.10 175.39 3kgl s THR 410 N 0.17 5.29 -0.13 1.60 -1.32 -1.26 -1.03 115.64 118.97 3kgl s THR 410 Ca 0.03 -0.20 0.18 0.00 -1.21 0.00 0.00 61.69 60.49 3kgl s THR 410 Cb -0.13 -3.63 -0.23 0.00 -1.51 0.00 0.00 72.50 67.01 3kgl s THR 410 CO 0.01 0.10 0.47 0.18 -2.21 0.00 0.00 174.62 173.17 3kgl n LEU 411 N 0.22 0.36 -3.92 9.08 4.77 0.15 -1.54 117.00 126.13 3kgl n LEU 411 Ca -0.04 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 3kgl n LEU 411 Cb 0.51 0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 3kgl n LEU 411 CO 0.50 0.25 -0.37 0.00 -1.33 0.00 0.00 177.39 176.44 3kgl s ALA 412 N -2.89 0.12 0.00 -1.18 0.00 -1.25 -4.53 121.76 112.03 3kgl s ALA 412 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3kgl s ALA 412 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3kgl s ALA 412 CO 0.84 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.99 3kgl n GLY 413 N 2.66 0.86 0.26 0.00 0.00 -1.26 -4.72 105.19 102.98 3kgl n GLY 413 Ca -0.15 -2.25 0.17 0.00 0.00 0.00 0.00 46.02 43.80 3kgl n GLY 413 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kgl h ARG 414 N 8.40 0.00 -0.25 1.61 2.43 -1.35 -1.79 114.38 123.43 3kgl h ARG 414 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3kgl h ARG 414 Cb 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 3kgl h ARG 414 CO 0.00 0.00 -0.33 0.25 -1.51 0.00 0.00 179.97 178.38 3kgl n THR 415 N -2.89 2.42 -1.91 0.20 -2.24 -1.26 -4.98 114.28 103.63 3kgl n THR 415 Ca -0.00 -3.15 -0.35 0.00 -2.27 0.00 0.00 64.05 58.28 3kgl n THR 415 Cb 0.22 -0.39 0.04 0.00 -2.10 0.00 0.00 70.33 68.10 3kgl n THR 415 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kgl s SER 416 N -2.96 5.13 0.48 3.42 0.15 -0.67 -4.41 113.70 114.84 3kgl s SER 416 Ca 0.43 2.22 0.13 0.00 0.70 0.00 0.00 55.95 59.43 3kgl s SER 416 Cb 0.39 -2.58 1.14 0.00 -1.71 0.00 0.00 66.02 63.26 3kgl s SER 416 CO -0.03 -1.62 2.12 1.62 1.20 0.00 0.00 173.24 176.53 3kgl h VAL 417 N 0.53 1.03 -0.08 4.45 3.04 -1.52 -2.73 116.25 120.98 3kgl h VAL 417 Ca -0.49 -0.06 -0.23 0.00 -1.01 0.00 0.00 66.70 64.91 3kgl h VAL 417 Cb 1.27 0.83 0.01 0.00 -2.01 0.00 0.00 31.29 31.40 3kgl h VAL 417 CO 0.54 0.03 -0.86 -0.07 -1.01 0.00 0.00 177.57 176.21 3kgl h LEU 418 N 0.18 0.78 -1.68 3.16 4.07 -1.83 -2.55 115.31 117.44 3kgl h LEU 418 Ca 0.05 -0.55 0.25 0.00 0.08 0.00 0.00 57.88 57.71 3kgl h LEU 418 Cb -0.01 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.44 3kgl h LEU 418 CO -0.01 1.34 0.66 -0.09 -1.08 0.00 0.00 178.44 179.26 3kgl h ARG 419 N 0.40 0.22 -0.02 1.13 9.65 -1.74 0.22 114.38 124.24 3kgl h ARG 419 Ca -0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3kgl h ARG 419 Cb 1.48 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 3kgl h ARG 419 CO 0.16 0.15 0.00 0.41 2.80 0.00 0.00 179.97 183.49 3kgl n GLY 420 N -1.60 -0.74 3.86 2.80 0.00 -0.96 -4.83 105.19 103.72 3kgl n GLY 420 Ca 0.21 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3kgl n GLY 420 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgl s LEU 421 N -1.75 4.40 0.24 0.99 1.02 0.77 -5.07 118.68 119.27 3kgl s LEU 421 Ca 0.36 0.58 -0.31 0.00 0.02 0.00 0.00 54.13 54.77 3kgl s LEU 421 Cb 0.17 -2.20 -0.13 0.00 0.02 0.00 0.00 46.19 44.05 3kgl s LEU 421 CO 0.28 0.37 1.43 -2.65 0.02 0.00 0.00 176.35 175.81 3kgl n PRO 422 N 2.05 2.09 -0.32 1.29 -0.02 -1.26 -4.88 135.00 133.94 3kgl n PRO 422 Ca -0.18 0.74 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3kgl n PRO 422 Cb 0.54 -2.42 0.34 0.00 -0.02 0.00 0.00 33.50 31.94 3kgl n PRO 422 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kgl h LEU 423 N 4.39 0.49 -1.50 2.45 3.38 -1.96 -0.18 115.31 122.38 3kgl h LEU 423 Ca -0.45 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3kgl h LEU 423 Cb 1.27 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3kgl h LEU 423 CO 0.77 0.05 -0.25 -0.33 0.09 0.00 0.00 178.44 178.77 3kgl h GLU 424 N 0.49 0.00 -0.49 1.13 3.07 -1.98 -0.77 114.58 116.03 3kgl h GLU 424 Ca 0.60 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.34 3kgl h GLU 424 Cb 1.13 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 3kgl h GLU 424 CO -0.50 0.25 -0.17 0.28 -1.40 0.00 0.00 179.01 177.47 3kgl h VAL 425 N 0.00 1.27 0.09 3.13 2.07 -1.39 -2.21 116.25 119.21 3kgl h VAL 425 Ca -0.00 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3kgl h VAL 425 Cb 0.52 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kgl h VAL 425 CO 0.03 0.45 -0.05 0.40 0.02 0.00 0.00 177.57 178.43 3kgl h ILE 426 N 0.83 1.12 -0.40 4.57 2.04 -1.12 -0.60 117.51 123.95 3kgl h ILE 426 Ca 0.12 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3kgl h ILE 426 Cb 0.72 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3kgl h ILE 426 CO 0.06 0.21 0.20 0.77 0.00 0.00 0.00 178.15 179.38 3kgl h SER 427 N -0.53 0.53 0.56 1.72 4.64 -1.24 -1.39 113.55 117.84 3kgl h SER 427 Ca -0.01 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 3kgl h SER 427 Cb 0.44 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3kgl h SER 427 CO 0.02 0.50 -0.50 0.78 -0.87 0.00 0.00 176.83 176.76 3kgl h ASN 428 N 0.51 0.00 -0.01 4.97 2.35 -1.48 0.15 115.58 122.07 3kgl h ASN 428 Ca 0.14 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 3kgl h ASN 428 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3kgl h ASN 428 CO -0.02 0.50 -0.45 1.23 -1.65 0.00 0.00 177.43 177.04 3kgl h GLY 429 N 1.62 0.61 -0.49 2.83 0.00 -0.51 -3.21 103.07 103.92 3kgl h GLY 429 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3kgl h GLY 429 CO 0.07 0.58 -0.12 -1.72 0.00 0.00 0.00 176.54 175.34 3kgl n TYR 430 N -4.00 0.00 -3.30 5.60 4.01 -0.58 -5.03 117.16 113.87 3kgl n TYR 430 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 3kgl n TYR 430 Cb 0.55 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.58 3kgl n TYR 430 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kgl n GLN 431 N -0.04 -1.66 -4.27 -0.72 6.02 0.43 -5.05 117.38 112.09 3kgl n GLN 431 Ca 0.04 1.38 -0.16 0.00 -0.01 0.00 0.00 57.00 58.26 3kgl n GLN 431 Cb 0.19 -4.24 -0.09 0.00 1.02 0.00 0.00 30.24 27.12 3kgl n GLN 431 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3kgl s ILE 432 N -2.73 0.16 0.52 5.09 -4.36 -0.65 -5.03 121.20 114.21 3kgl s ILE 432 Ca 0.10 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.26 3kgl s ILE 432 Cb -0.02 -2.52 -0.06 0.00 1.25 0.00 0.00 42.46 41.11 3kgl s ILE 432 CO 0.81 0.00 1.27 -1.20 0.24 0.00 0.00 174.94 176.06 3kgl n SER 433 N -0.73 2.33 0.21 4.36 7.64 -1.26 -4.70 113.62 121.48 3kgl n SER 433 Ca 0.03 0.98 0.16 0.00 1.01 0.00 0.00 58.87 61.05 3kgl n SER 433 Cb 0.65 -1.53 0.82 0.00 -1.01 0.00 0.00 64.21 63.14 3kgl n SER 433 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3kgl h LEU 434 N 1.44 0.00 0.00 -3.43 5.85 -1.96 0.21 115.31 117.42 3kgl h LEU 434 Ca -0.50 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.06 3kgl h LEU 434 Cb 1.31 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3kgl h LEU 434 CO 0.57 0.00 -1.31 1.05 -0.34 0.00 0.00 178.44 178.40 3kgl h GLU 435 N 0.00 0.00 -0.15 1.25 9.09 -1.98 -2.10 114.58 120.69 3kgl h GLU 435 Ca 0.07 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.28 3kgl h GLU 435 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3kgl h GLU 435 CO -0.00 0.31 -0.71 0.93 0.05 0.00 0.00 179.01 179.60 3kgl h GLU 436 N 0.00 0.66 0.02 1.06 5.08 -1.56 -2.35 114.58 117.48 3kgl h GLU 436 Ca -0.14 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.71 3kgl h GLU 436 Cb 1.56 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3kgl h GLU 436 CO 0.05 1.12 -0.01 0.00 -1.00 0.00 0.00 179.01 179.17 3kgl h ALA 437 N 0.74 -0.02 -0.98 3.43 0.00 -0.70 0.11 119.26 121.84 3kgl h ALA 437 Ca -0.03 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.10 3kgl h ALA 437 Cb 1.31 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.96 3kgl h ALA 437 CO 0.14 -0.44 0.51 -0.09 0.00 0.00 0.00 179.25 179.37 3kgl h ARG 438 N -0.16 0.32 0.24 0.00 2.43 -1.34 -1.27 114.38 114.59 3kgl h ARG 438 Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kgl h ARG 438 Cb 0.16 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3kgl h ARG 438 CO 0.00 0.21 -0.11 0.00 -1.51 0.00 0.00 179.97 178.56 3kgl h ARG 439 N 0.33 -0.31 -0.84 0.20 3.08 -0.79 -2.91 114.38 113.14 3kgl h ARG 439 Ca 0.69 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.88 3kgl h ARG 439 Cb 1.52 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.58 3kgl h ARG 439 CO -0.60 0.02 0.55 -0.24 -1.07 0.00 0.00 179.97 178.63 3kgl h VAL 440 N -0.96 0.90 0.00 2.04 3.04 -0.20 -0.21 116.25 120.86 3kgl h VAL 440 Ca -0.03 -0.25 -0.19 0.00 -1.01 0.00 0.00 66.70 65.22 3kgl h VAL 440 Cb 0.47 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 3kgl h VAL 440 CO 0.05 0.13 -0.85 0.50 -1.01 0.00 0.00 177.57 176.39 3kgl h LYS 441 N 0.72 0.14 0.00 4.17 3.64 -1.35 -3.40 116.57 120.49 3kgl h LYS 441 Ca 0.41 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kgl h LYS 441 Cb 0.58 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3kgl h LYS 441 CO -0.17 0.91 -1.05 1.19 -2.27 0.00 0.00 179.45 178.06 3kgl n PHE 442 N -3.64 0.00 -0.33 1.91 3.72 -0.96 -4.61 117.46 113.54 3kgl n PHE 442 Ca -0.03 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 3kgl n PHE 442 Cb 0.79 -0.03 0.19 0.00 -0.94 0.00 0.00 39.48 39.50 3kgl n PHE 442 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3kgl h ASN 443 N 0.00 1.00 -3.20 4.37 -0.26 -1.25 -3.38 115.58 112.86 3kgl h ASN 443 Ca -0.00 -0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.16 3kgl h ASN 443 Cb 0.22 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 3kgl h ASN 443 CO 0.00 0.67 0.63 -0.89 -1.06 0.00 0.00 177.43 176.77 3kgl s THR 444 N -5.99 4.76 -0.06 2.81 2.01 -1.26 -4.91 115.64 113.00 3kgl s THR 444 Ca -0.12 1.97 0.21 0.00 0.31 0.00 0.00 61.69 64.06 3kgl s THR 444 Cb 0.19 -4.28 -0.32 0.00 0.01 0.00 0.00 72.50 68.10 3kgl s THR 444 CO 0.81 -0.06 0.44 2.30 -0.69 0.00 0.00 174.62 177.41 3kgl n ILE 445 N 4.88 0.22 -2.21 1.82 -5.35 -1.26 -4.06 119.36 113.39 3kgl n ILE 445 Ca 0.09 -0.55 -0.33 0.00 -0.27 0.00 0.00 62.75 61.69 3kgl n ILE 445 Cb 0.48 -0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.29 3kgl n ILE 445 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3kgl s GLU 446 N -3.37 3.50 -0.10 6.28 1.03 -1.26 -4.10 118.70 120.68 3kgl s GLU 446 Ca -0.08 1.23 -0.01 0.00 0.03 0.00 0.00 54.97 56.14 3kgl s GLU 446 Cb 0.13 -2.06 -0.00 0.00 -0.80 0.00 0.00 34.13 31.40 3kgl s GLU 446 CO 0.90 -0.66 -0.02 1.15 -1.33 0.00 0.00 175.26 175.29 3kgl h THR 447 N 0.79 0.00 0.00 1.83 2.02 -1.92 -1.17 112.91 114.46 3kgl h THR 447 Ca -0.48 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 65.78 3kgl h THR 447 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3kgl h THR 447 CO 0.58 0.00 -0.29 0.41 0.37 0.00 0.00 175.52 176.59 3kgl n THR 448 N -4.55 0.76 -3.62 3.16 -1.04 -1.26 -4.46 114.28 103.28 3kgl n THR 448 Ca -0.01 0.25 -0.37 0.00 -2.04 0.00 0.00 64.05 61.88 3kgl n THR 448 Cb 0.03 -1.46 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 3kgl n THR 448 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3kgl s LEU 449 N -6.64 4.41 0.28 -4.42 1.43 -1.26 -1.06 118.68 111.42 3kgl s LEU 449 Ca 0.00 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 53.78 3kgl s LEU 449 Cb 0.00 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3kgl s LEU 449 CO 0.00 0.31 0.39 0.28 0.23 0.00 0.00 176.35 177.56 3kgl s THR 450 N -0.78 0.00 0.15 5.49 -1.32 -0.74 -4.85 115.64 113.59 3kgl s THR 450 Ca 0.20 -1.64 0.03 0.00 -1.21 0.00 0.00 61.69 59.07 3kgl s THR 450 Cb -0.15 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3kgl s THR 450 CO 0.09 0.00 0.24 -2.28 -2.21 0.00 0.00 174.62 170.46 3kgl s HIS 451 N -3.63 3.40 0.00 9.09 2.46 -1.26 -1.41 115.29 123.94 3kgl s HIS 451 Ca 0.30 0.09 0.00 0.00 0.47 0.00 0.00 55.06 55.92 3kgl s HIS 451 Cb 0.01 -1.63 0.00 0.00 -0.13 0.00 0.00 32.58 30.83 3kgl s HIS 451 CO 0.15 0.52 0.00 -1.13 -2.47 0.00 0.00 174.74 171.81 3kgl n SER 452 N -0.46 0.00 -3.32 9.88 3.41 -1.11 -4.84 113.62 117.18 3kgl n SER 452 Ca -0.07 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.56 3kgl n SER 452 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 3kgl n SER 452 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3kgl s SER 453 N 2.00 -1.12 1.08 4.04 1.04 -1.26 -4.85 113.70 114.63 3kgl s SER 453 Ca 0.00 1.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 3kgl s SER 453 Cb 0.00 2.06 0.23 0.00 0.10 0.00 0.00 66.02 68.41 3kgl s SER 453 CO 0.00 -0.21 1.06 -0.83 0.98 0.00 0.00 173.24 174.24 3kgl s GLY 454 N 2.84 1.57 0.00 7.32 0.00 -1.26 -5.19 107.32 112.60 3kgl s GLY 454 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3kgl s GLY 454 CO -0.19 0.58 0.27 -1.05 0.00 0.00 0.00 173.10 172.70