#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n ILE 5 N 0.00 0.00 -0.34 6.31 -0.00 -1.26 -5.08 119.36 118.99 3i9d n ILE 5 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.70 3i9d n ILE 5 Cb 0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 39.64 39.55 3i9d n ILE 5 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 3i9d n THR 6 N -1.93 0.00 -3.95 7.28 5.66 -1.26 -4.93 114.28 115.14 3i9d n THR 6 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3i9d n THR 6 Cb 0.00 -0.15 -0.09 0.00 -1.55 0.00 0.00 70.33 68.54 3i9d n THR 6 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i9d s VAL 7 N -1.25 0.15 0.40 1.08 0.11 -1.26 -5.15 120.40 114.48 3i9d s VAL 7 Ca 0.10 -1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 57.86 3i9d s VAL 7 Cb -0.02 -1.10 0.08 0.00 -1.53 0.00 0.00 36.38 33.82 3i9d s VAL 7 CO 0.09 -0.70 0.55 2.29 -3.33 0.00 0.00 175.10 173.99 3i9d n LYS 8 N 0.49 0.01 -0.02 1.54 0.00 -1.26 -5.04 118.16 113.87 3i9d n LYS 8 Ca -0.17 -1.27 0.01 0.00 -0.00 0.00 0.00 58.31 56.87 3i9d n LYS 8 Cb 0.60 -0.43 0.01 0.00 -0.00 0.00 0.00 35.03 35.21 3i9d n LYS 8 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3i9d n GLU 9 N -2.06 1.64 0.08 -1.58 0.00 -1.26 -4.65 120.64 112.81 3i9d n GLU 9 Ca 0.08 -1.16 -0.06 0.00 0.00 0.00 0.00 57.16 56.03 3i9d n GLU 9 Cb 0.29 -0.82 -0.04 0.00 0.00 0.00 0.00 31.44 30.88 3i9d n GLU 9 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3i9d h LEU 10 N 0.00 0.03 0.01 -1.84 3.38 -1.98 -1.32 115.31 113.59 3i9d h LEU 10 Ca 0.00 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 3i9d h LEU 10 Cb 0.75 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3i9d h LEU 10 CO 0.00 0.91 -1.60 0.25 0.09 0.00 0.00 178.44 178.10 3i9d h LEU 11 N 0.01 0.03 -0.77 1.67 5.85 -2.01 -3.31 115.31 116.78 3i9d h LEU 11 Ca -0.01 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 3i9d h LEU 11 Cb 1.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3i9d h LEU 11 CO 0.12 1.05 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.49 3i9d h GLU 12 N 0.01 0.37 0.00 1.25 5.08 -1.82 -1.02 114.58 118.44 3i9d h GLU 12 Ca -0.24 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3i9d h GLU 12 Cb 1.97 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3i9d h GLU 12 CO 0.09 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.85 3i9d n ALA 13 N -2.49 1.94 0.23 3.43 0.00 -0.50 -1.93 120.51 121.20 3i9d n ALA 13 Ca -0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 3i9d n ALA 13 Cb 0.53 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3i9d n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i9d h GLY 14 N 2.24 -1.19 -5.00 0.00 0.00 -1.30 -3.42 103.07 94.40 3i9d h GLY 14 Ca 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 47.33 47.75 3i9d h GLY 14 CO 0.00 -0.35 -0.05 3.33 0.00 0.00 0.00 176.54 179.47 3i9d n VAL 15 N -5.05 0.00 -1.38 4.60 0.24 -1.21 -5.04 118.33 110.48 3i9d n VAL 15 Ca -0.10 -0.93 0.03 0.00 -2.04 0.00 0.00 64.34 61.30 3i9d n VAL 15 Cb 0.39 1.02 0.04 0.00 -1.47 0.00 0.00 33.84 33.82 3i9d n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i9d n HIS 16 N 0.04 0.00 -4.24 6.34 -0.00 -0.81 -4.37 115.22 112.17 3i9d n HIS 16 Ca -0.09 -0.36 -0.20 0.00 -0.00 0.00 0.00 57.72 57.06 3i9d n HIS 16 Cb 0.73 -0.07 -0.12 0.00 -0.00 0.00 0.00 29.99 30.53 3i9d n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3i9d s PHE 17 N -1.00 1.51 0.51 4.41 -0.12 -1.26 -3.15 117.98 118.87 3i9d s PHE 17 Ca 0.10 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.51 3i9d s PHE 17 Cb 0.09 -0.81 0.00 0.00 -0.63 0.00 0.00 43.02 41.66 3i9d s PHE 17 CO 0.01 0.16 0.00 0.41 -0.05 0.00 0.00 175.22 175.75 3i9d n GLY 18 N 0.91 -4.61 1.59 1.99 0.00 -1.26 -4.74 105.19 99.07 3i9d n GLY 18 Ca -0.18 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3i9d n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i9d n HIS 19 N -0.83 -3.39 -2.05 1.61 -0.00 -1.19 -4.77 115.22 104.60 3i9d n HIS 19 Ca 0.00 0.81 -0.40 0.00 0.46 0.00 0.00 57.72 58.59 3i9d n HIS 19 Cb 0.00 2.23 -0.01 0.00 -0.12 0.00 0.00 29.99 32.08 3i9d n HIS 19 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3i9d s GLU 20 N -1.64 4.19 -0.13 1.57 0.41 -1.26 -4.72 118.70 117.12 3i9d s GLU 20 Ca 0.00 2.24 0.01 0.00 -0.41 0.00 0.00 54.97 56.81 3i9d s GLU 20 Cb 0.00 -2.95 0.02 0.00 -1.78 0.00 0.00 34.13 29.42 3i9d s GLU 20 CO 0.00 -0.34 -0.14 0.50 -0.49 0.00 0.00 175.26 174.79 3i9d s ARG 21 N -1.99 2.21 0.00 1.61 3.52 -1.26 -1.56 118.95 121.48 3i9d s ARG 21 Ca 0.52 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3i9d s ARG 21 Cb -0.40 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 3i9d s ARG 21 CO 0.53 -0.17 0.00 1.63 -0.81 0.00 0.00 175.30 176.48 3i9d n LYS 22 N 4.54 0.00 -1.54 5.12 4.76 -1.16 -4.73 118.16 125.16 3i9d n LYS 22 Ca -0.17 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.00 3i9d n LYS 22 Cb 0.51 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.60 3i9d n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i9d n ARG 23 N 0.00 0.76 0.00 1.97 3.00 -1.26 -4.76 116.66 116.36 3i9d n ARG 23 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 57.85 55.95 3i9d n ARG 23 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 32.46 28.91 3i9d n ARG 23 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 3i9d n TRP 24 N 15.12 0.00 0.00 -1.55 4.27 -1.26 -4.78 117.44 129.23 3i9d n TRP 24 Ca 0.44 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.05 3i9d n TRP 24 Cb 0.45 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.40 3i9d n TRP 24 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 3i9d n ASN 25 N 0.00 0.00 0.00 -0.67 2.85 -1.23 -4.81 115.26 111.40 3i9d n ASN 25 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3i9d n ASN 25 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3i9d n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3i9d n PRO 26 N 0.00 0.00 0.00 1.20 -0.04 -1.26 -2.56 135.00 132.34 3i9d n PRO 26 Ca 0.00 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.60 3i9d n PRO 26 Cb 0.00 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.05 3i9d n PRO 26 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i9d n LYS 27 N 0.00 0.74 -1.82 0.54 5.02 -1.26 -3.87 118.16 117.51 3i9d n LYS 27 Ca 0.00 -0.28 -0.36 0.00 -2.02 0.00 0.00 58.31 55.65 3i9d n LYS 27 Cb 0.00 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3i9d n LYS 27 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i9d n PHE 28 N -0.89 3.09 -0.09 2.13 -0.00 -1.06 -4.46 117.46 116.18 3i9d n PHE 28 Ca 0.14 -2.62 -0.14 0.00 -0.00 0.00 0.00 57.45 54.84 3i9d n PHE 28 Cb 0.28 -1.08 -0.14 0.00 -0.00 0.00 0.00 39.48 38.54 3i9d n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i9d n ALA 29 N -0.65 1.39 1.22 3.13 0.00 -1.25 -3.33 120.51 121.02 3i9d n ALA 29 Ca 0.54 -1.08 0.03 0.00 0.00 0.00 0.00 53.44 52.93 3i9d n ALA 29 Cb 0.45 -0.31 0.15 0.00 0.00 0.00 0.00 19.45 19.75 3i9d n ALA 29 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i9d n ARG 30 N -3.07 0.61 0.00 0.00 1.85 -1.26 -1.97 116.66 112.81 3i9d n ARG 30 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.49 3i9d n ARG 30 Cb 1.07 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 31.35 3i9d n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3i9d n TYR 31 N -0.63 0.00 -3.45 2.89 0.53 -1.26 -5.06 117.16 110.18 3i9d n TYR 31 Ca 0.04 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.59 3i9d n TYR 31 Cb 0.02 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.27 3i9d n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3i9d s ILE 32 N -0.56 4.96 -0.05 -0.72 1.10 -0.83 -2.60 121.20 122.49 3i9d s ILE 32 Ca 0.00 0.47 -0.10 0.00 -0.51 0.00 0.00 60.65 60.51 3i9d s ILE 32 Cb 0.00 -3.64 -0.03 0.00 0.15 0.00 0.00 42.46 38.94 3i9d s ILE 32 CO 0.00 0.01 -0.19 0.00 -2.11 0.00 0.00 174.94 172.65 3i9d n TYR 33 N 0.09 0.00 -3.57 3.50 4.19 -1.09 -4.71 117.16 115.58 3i9d n TYR 33 Ca -0.01 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 61.03 3i9d n TYR 33 Cb 0.52 -0.27 -0.06 0.00 0.49 0.00 0.00 39.34 40.02 3i9d n TYR 33 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3i9d s ALA 34 N -2.48 -1.52 0.27 2.98 0.00 -1.18 -5.03 121.76 114.79 3i9d s ALA 34 Ca -0.15 1.01 0.06 0.00 0.00 0.00 0.00 51.96 52.87 3i9d s ALA 34 Cb 0.02 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3i9d s ALA 34 CO 0.23 -0.38 0.33 -2.00 0.00 0.00 0.00 175.76 173.94 3i9d s GLU 35 N -1.47 3.17 0.00 0.00 2.12 -1.26 -1.12 118.70 120.14 3i9d s GLU 35 Ca -0.10 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.28 3i9d s GLU 35 Cb -0.01 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.63 3i9d s GLU 35 CO 0.07 0.31 0.00 -2.13 -0.54 0.00 0.00 175.26 172.97 3i9d n ARG 36 N -1.39 0.00 -1.80 4.30 3.00 -1.15 -4.90 116.66 114.71 3i9d n ARG 36 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.66 3i9d n ARG 36 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.00 3i9d n ARG 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i9d n ASN 37 N 0.00 -4.40 0.00 6.15 5.03 -1.26 -2.16 115.26 118.63 3i9d n ASN 37 Ca 0.00 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.62 3i9d n ASN 37 Cb 0.00 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 35.45 3i9d n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i9d n GLY 38 N -1.18 1.26 3.62 7.41 0.00 -1.26 -4.88 105.19 110.15 3i9d n GLY 38 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3i9d n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9d s ILE 39 N 0.00 3.53 0.29 -0.61 1.01 -0.92 -2.98 121.20 121.53 3i9d s ILE 39 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3i9d s ILE 39 Cb 0.00 -3.59 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 3i9d s ILE 39 CO 0.00 -0.29 1.48 -1.00 0.00 0.00 0.00 174.94 175.12 3i9d s HIS 40 N 5.93 2.88 -0.34 3.97 3.76 -0.60 -2.93 115.29 127.96 3i9d s HIS 40 Ca 0.77 1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 56.62 3i9d s HIS 40 Cb -0.26 -3.91 0.03 0.00 1.11 0.00 0.00 32.58 29.55 3i9d s HIS 40 CO 0.32 -2.91 0.12 0.42 -0.85 0.00 0.00 174.74 171.84 3i9d s ILE 41 N -0.28 3.98 0.39 0.60 1.09 -0.27 -3.15 121.20 123.56 3i9d s ILE 41 Ca 0.58 -0.98 -0.26 0.00 -1.10 0.00 0.00 60.65 58.89 3i9d s ILE 41 Cb -0.44 -3.20 -0.09 0.00 -1.06 0.00 0.00 42.46 37.67 3i9d s ILE 41 CO 0.48 -0.13 1.25 -0.51 -0.10 0.00 0.00 174.94 175.93 3i9d s ILE 42 N 1.45 2.85 -0.54 2.92 2.07 -1.26 -2.66 121.20 126.03 3i9d s ILE 42 Ca -0.00 0.75 -0.23 0.00 -1.41 0.00 0.00 60.65 59.77 3i9d s ILE 42 Cb -0.19 -3.44 0.05 0.00 0.13 0.00 0.00 42.46 39.01 3i9d s ILE 42 CO 0.03 0.10 0.84 -0.62 -1.91 0.00 0.00 174.94 173.39 3i9d s ASP 43 N -0.87 6.30 0.29 4.50 2.15 -1.07 -4.39 116.67 123.57 3i9d s ASP 43 Ca 0.56 -0.54 -0.02 0.00 0.43 0.00 0.00 52.55 52.98 3i9d s ASP 43 Cb -0.35 -2.39 0.42 0.00 -0.30 0.00 0.00 42.92 40.30 3i9d s ASP 43 CO 0.45 -1.13 1.96 -0.07 -0.17 0.00 0.00 175.17 176.21 3i9d h LEU 44 N 10.58 0.98 -0.96 -1.34 4.07 -1.89 -2.53 115.31 124.22 3i9d h LEU 44 Ca -0.27 -0.02 0.28 0.00 0.08 0.00 0.00 57.88 57.95 3i9d h LEU 44 Cb 1.08 -0.24 -0.14 0.00 1.08 0.00 0.00 40.66 42.44 3i9d h LEU 44 CO 1.05 0.70 0.46 -0.61 -1.08 0.00 0.00 178.44 178.97 3i9d h GLN 45 N 1.15 0.32 -0.97 1.13 4.15 -1.97 0.93 115.11 119.84 3i9d h GLN 45 Ca 0.32 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.72 3i9d h GLN 45 Cb -0.11 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 3i9d h GLN 45 CO -0.07 0.21 0.62 0.87 -1.93 0.00 0.00 178.83 178.53 3i9d h LYS 46 N 0.33 1.29 -0.49 1.69 1.79 -1.82 -2.45 116.57 116.91 3i9d h LYS 46 Ca 0.66 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 59.02 3i9d h LYS 46 Cb 1.41 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 3i9d h LYS 46 CO -0.60 0.87 0.23 1.15 -1.08 0.00 0.00 179.45 180.02 3i9d h THR 47 N 1.32 1.17 0.69 -0.16 2.02 0.80 -2.50 112.91 116.24 3i9d h THR 47 Ca 0.35 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3i9d h THR 47 Cb -0.12 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3i9d h THR 47 CO -0.07 0.20 -0.34 0.24 0.37 0.00 0.00 175.52 175.92 3i9d h MET 48 N 0.69 -0.90 -0.47 6.66 2.86 -0.96 3.63 114.93 126.43 3i9d h MET 48 Ca 0.17 0.06 0.14 0.00 -2.06 0.00 0.00 59.70 58.01 3i9d h MET 48 Cb 0.08 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3i9d h MET 48 CO -0.02 -0.60 0.41 0.93 1.06 0.00 0.00 176.91 178.68 3i9d h GLU 49 N -0.94 0.00 0.16 1.72 5.08 -1.60 0.36 114.58 119.36 3i9d h GLU 49 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3i9d h GLU 49 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3i9d h GLU 49 CO 0.15 0.00 -0.08 0.93 -1.00 0.00 0.00 179.01 179.02 3i9d h GLU 50 N 0.00 -0.20 -0.89 2.33 4.39 -0.86 -1.72 114.58 117.62 3i9d h GLU 50 Ca 0.22 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.14 3i9d h GLU 50 Cb 1.03 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.66 3i9d h GLU 50 CO -0.00 0.19 0.59 -0.07 -1.16 0.00 0.00 179.01 178.56 3i9d h LEU 51 N -0.93 0.38 0.06 1.33 3.38 0.85 0.42 115.31 120.80 3i9d h LEU 51 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i9d h LEU 51 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i9d h LEU 51 CO 0.04 0.15 -0.03 -0.08 0.09 0.00 0.00 178.44 178.61 3i9d h GLU 52 N 0.38 -0.08 -0.13 1.13 4.81 -0.36 -1.66 114.58 118.68 3i9d h GLU 52 Ca 0.46 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 3i9d h GLU 52 Cb 1.19 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3i9d h GLU 52 CO -0.17 -0.06 0.26 -0.09 -0.73 0.00 0.00 179.01 178.23 3i9d h ARG 53 N -0.10 0.00 0.15 1.92 2.43 -0.88 -2.12 114.38 115.78 3i9d h ARG 53 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3i9d h ARG 53 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3i9d h ARG 53 CO 0.01 0.00 -0.07 1.15 -1.51 0.00 0.00 179.97 179.55 3i9d h THR 54 N 0.00 0.00 0.00 0.20 2.02 -0.09 -3.24 112.91 111.80 3i9d h THR 54 Ca 0.06 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3i9d h THR 54 Cb 0.58 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3i9d h THR 54 CO -0.00 0.00 0.12 -0.26 0.37 0.00 0.00 175.52 175.75 3i9d h PHE 55 N -0.37 0.00 -0.93 3.16 0.04 -1.09 0.43 116.94 118.18 3i9d h PHE 55 Ca -0.02 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.91 3i9d h PHE 55 Cb 0.15 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 3i9d h PHE 55 CO 0.07 0.00 0.59 0.00 -0.60 0.00 0.00 178.31 178.38 3i9d h ARG 56 N 0.00 0.69 0.07 1.51 2.47 -1.41 0.47 114.38 118.18 3i9d h ARG 56 Ca 0.00 -0.04 -0.35 0.00 -1.26 0.00 0.00 59.98 58.33 3i9d h ARG 56 Cb 0.24 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 3i9d h ARG 56 CO 0.00 0.46 -2.01 0.34 0.56 0.00 0.00 179.97 179.32 3i9d n PHE 57 N -4.60 0.96 0.03 3.04 7.35 0.15 -3.50 117.46 120.89 3i9d n PHE 57 Ca 0.19 0.24 -0.10 0.00 -0.76 0.00 0.00 57.45 57.02 3i9d n PHE 57 Cb 0.50 -1.14 -0.04 0.00 0.35 0.00 0.00 39.48 39.15 3i9d n PHE 57 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3i9d h ILE 58 N 0.04 0.65 0.22 -2.13 1.08 -0.97 -0.39 117.51 116.01 3i9d h ILE 58 Ca -0.41 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3i9d h ILE 58 Cb 2.03 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 3i9d h ILE 58 CO 0.06 0.00 -0.44 -0.08 -0.69 0.00 0.00 178.15 177.00 3i9d h GLU 59 N -0.20 -0.72 -0.22 2.37 4.81 -0.26 -2.33 114.58 118.03 3i9d h GLU 59 Ca 0.06 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3i9d h GLU 59 Cb 0.29 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3i9d h GLU 59 CO -0.17 -0.48 -0.13 -0.44 -0.73 0.00 0.00 179.01 177.07 3i9d h ASP 60 N -0.74 -0.42 0.00 1.04 3.45 -1.54 0.60 116.42 118.80 3i9d h ASP 60 Ca -0.00 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3i9d h ASP 60 Cb 0.73 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3i9d h ASP 60 CO -0.20 -0.16 0.07 -0.11 -1.57 0.00 0.00 179.24 177.27 3i9d n LEU 61 N -5.29 0.31 0.00 1.55 7.94 -0.18 -2.11 117.00 119.22 3i9d n LEU 61 Ca -0.01 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.49 3i9d n LEU 61 Cb 0.21 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.53 3i9d n LEU 61 CO 0.20 -0.71 0.00 0.00 -1.11 0.00 0.00 177.39 175.77 3i9d n ALA 62 N -1.61 0.00 -0.30 1.96 0.00 0.19 -1.57 120.51 119.17 3i9d n ALA 62 Ca -0.01 -0.03 0.30 0.00 0.00 0.00 0.00 53.44 53.70 3i9d n ALA 62 Cb 0.09 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.08 3i9d n ALA 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i9d n MET 63 N -1.29 -0.05 -0.93 0.00 0.00 -0.19 0.15 117.12 114.81 3i9d n MET 63 Ca 0.00 1.23 -0.20 0.00 -0.00 0.00 0.00 57.70 58.74 3i9d n MET 63 Cb 0.00 -2.23 0.09 0.00 0.00 0.00 0.00 33.22 31.08 3i9d n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 3i9d n ARG 64 N -4.98 1.98 -1.98 2.12 1.85 -0.90 -4.97 116.66 109.78 3i9d n ARG 64 Ca 0.34 -2.14 0.00 0.00 -1.00 0.00 0.00 57.85 55.06 3i9d n ARG 64 Cb 1.19 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 3i9d n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i9d n GLY 65 N -0.43 0.00 0.00 2.89 0.00 0.41 -4.99 105.19 103.06 3i9d n GLY 65 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3i9d n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 66 N 1.41 2.78 3.59 -0.02 0.00 -0.61 -5.01 105.19 107.34 3i9d n GLY 66 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3i9d n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i9d s THR 67 N 3.97 0.00 0.04 2.61 -4.23 -1.26 -5.05 115.64 111.73 3i9d s THR 67 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 3i9d s THR 67 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 3i9d s THR 67 CO 0.00 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.27 3i9d s ILE 68 N -0.76 1.40 -0.26 2.99 1.09 -1.26 -3.51 121.20 120.90 3i9d s ILE 68 Ca -0.00 -1.12 -0.02 0.00 -1.10 0.00 0.00 60.65 58.41 3i9d s ILE 68 Cb -0.02 -1.24 0.03 0.00 -1.06 0.00 0.00 42.46 40.17 3i9d s ILE 68 CO -0.01 0.10 -0.04 -0.22 -0.10 0.00 0.00 174.94 174.67 3i9d s LEU 69 N -1.19 3.33 -0.01 2.97 2.96 -0.40 -2.93 118.68 123.40 3i9d s LEU 69 Ca 0.05 -0.89 -0.15 0.00 -0.22 0.00 0.00 54.13 52.92 3i9d s LEU 69 Cb -0.08 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 3i9d s LEU 69 CO 0.02 -0.15 0.40 -0.36 -1.32 0.00 0.00 176.35 174.94 3i9d s PHE 70 N 1.34 3.71 -0.08 5.38 0.40 0.49 -1.04 117.98 128.18 3i9d s PHE 70 Ca -0.00 0.97 -0.00 0.00 -0.60 0.00 0.00 56.93 57.30 3i9d s PHE 70 Cb -0.17 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.09 3i9d s PHE 70 CO -0.03 0.61 -0.04 0.14 0.70 0.00 0.00 175.22 176.60 3i9d s VAL 71 N -0.96 0.67 -0.25 -0.44 -7.23 0.12 0.46 120.40 112.77 3i9d s VAL 71 Ca 0.23 -0.10 -0.08 0.00 -1.81 0.00 0.00 61.98 60.22 3i9d s VAL 71 Cb -0.16 -0.73 0.11 0.00 0.56 0.00 0.00 36.38 36.15 3i9d s VAL 71 CO 0.13 0.29 0.53 -0.83 -0.31 0.00 0.00 175.10 174.91 3i9d s GLY 72 N 1.56 -0.55 -0.03 2.32 0.00 -0.73 -2.61 107.32 107.28 3i9d s GLY 72 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.63 3i9d s GLY 72 CO -0.04 2.75 -0.01 -1.30 0.00 0.00 0.00 173.10 174.49 3i9d n THR 73 N 5.42 0.18 -1.66 0.90 -2.24 -1.26 -4.05 114.28 111.57 3i9d n THR 73 Ca -0.10 -0.08 -0.46 0.00 -2.27 0.00 0.00 64.05 61.14 3i9d n THR 73 Cb 0.49 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 3i9d n THR 73 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3i9d n LYS 74 N -2.41 1.98 -0.31 -0.78 2.85 -1.26 -4.84 118.16 113.39 3i9d n LYS 74 Ca -0.05 0.71 0.12 0.00 -1.05 0.00 0.00 58.31 58.04 3i9d n LYS 74 Cb 0.57 -2.42 0.29 0.00 -0.65 0.00 0.00 35.03 32.81 3i9d n LYS 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3i9d h LYS 75 N 5.15 0.51 0.00 -1.58 3.11 -1.97 0.28 116.57 122.06 3i9d h LYS 75 Ca -0.45 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 3i9d h LYS 75 Cb 1.27 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 3i9d h LYS 75 CO 0.83 0.34 0.00 1.04 -2.81 0.00 0.00 179.45 178.84 3i9d n GLN 76 N -4.95 0.00 -2.75 1.90 6.02 -1.26 -3.19 117.38 113.16 3i9d n GLN 76 Ca 0.21 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.11 3i9d n GLN 76 Cb 0.58 -1.41 0.09 0.00 1.02 0.00 0.00 30.24 30.52 3i9d n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9d n ALA 77 N -0.88 0.06 -0.04 -1.58 0.00 0.09 -3.79 120.51 114.37 3i9d n ALA 77 Ca 0.00 -1.57 -0.10 0.00 0.00 0.00 0.00 53.44 51.77 3i9d n ALA 77 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3i9d n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i9d n GLN 78 N 0.07 0.22 -0.35 0.00 6.02 -1.19 -4.48 117.38 117.68 3i9d n GLN 78 Ca 0.05 0.10 0.07 0.00 -0.01 0.00 0.00 57.00 57.20 3i9d n GLN 78 Cb 0.74 -0.87 0.23 0.00 1.02 0.00 0.00 30.24 31.36 3i9d n GLN 78 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3i9d h ASP 79 N -0.38 0.86 0.44 1.08 3.32 -1.93 0.96 116.42 120.77 3i9d h ASP 79 Ca -0.21 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3i9d h ASP 79 Cb 1.05 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3i9d h ASP 79 CO -0.13 0.45 0.00 0.40 -1.72 0.00 0.00 179.24 178.24 3i9d h ILE 80 N 0.93 0.00 0.00 0.35 2.04 -1.93 -0.87 117.51 118.02 3i9d h ILE 80 Ca 0.48 -0.19 -0.39 0.00 1.00 0.00 0.00 64.86 65.77 3i9d h ILE 80 Cb 0.50 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3i9d h ILE 80 CO -0.27 0.00 -2.15 0.52 0.00 0.00 0.00 178.15 176.24 3i9d n VAL 81 N -2.71 1.53 -0.27 1.67 0.31 0.13 -3.45 118.33 115.54 3i9d n VAL 81 Ca -0.01 -0.27 0.03 0.00 -0.01 0.00 0.00 64.34 64.08 3i9d n VAL 81 Cb 0.16 -1.94 0.11 0.00 -0.91 0.00 0.00 33.84 31.25 3i9d n VAL 81 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i9d h ARG 82 N -1.00 0.02 0.00 5.55 1.12 0.95 -1.76 114.38 119.26 3i9d h ARG 82 Ca -0.58 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.28 3i9d h ARG 82 Cb 1.50 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.46 3i9d h ARG 82 CO -0.35 0.01 0.00 -1.33 -3.11 0.00 0.00 179.97 175.19 3i9d n MET 83 N -5.47 0.00 0.00 0.20 2.81 -0.35 -3.73 117.12 110.57 3i9d n MET 83 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3i9d n MET 83 Cb 0.41 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 3i9d n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3i9d n GLU 84 N -0.39 0.00 -0.11 0.03 -0.58 -1.22 -0.70 120.64 117.66 3i9d n GLU 84 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3i9d n GLU 84 Cb 0.00 -1.91 -0.14 0.00 -0.57 0.00 0.00 31.44 28.82 3i9d n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9d n ALA 85 N -0.91 1.45 0.05 0.62 0.00 -0.66 -4.32 120.51 116.74 3i9d n ALA 85 Ca 0.00 -1.19 -0.15 0.00 0.00 0.00 0.00 53.44 52.10 3i9d n ALA 85 Cb 0.41 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 3i9d n ALA 85 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9d h GLU 86 N 0.00 0.52 -2.29 0.00 5.08 -1.00 -0.51 114.58 116.38 3i9d h GLU 86 Ca -0.56 -0.53 -0.08 0.00 -1.00 0.00 0.00 59.36 57.20 3i9d h GLU 86 Cb 2.06 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.42 3i9d h GLU 86 CO -0.03 1.16 -0.01 -2.13 -1.00 0.00 0.00 179.01 177.00 3i9d n ARG 87 N -3.80 0.99 0.00 2.33 0.00 -1.01 0.37 116.66 115.55 3i9d n ARG 87 Ca -0.08 -0.41 0.00 0.00 -0.00 0.00 0.00 57.85 57.36 3i9d n ARG 87 Cb 0.83 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.67 3i9d n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9d n ALA 88 N 2.41 0.00 -1.58 5.13 0.00 -1.21 -4.93 120.51 120.34 3i9d n ALA 88 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 3i9d n ALA 88 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 3i9d n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 89 N 0.00 1.90 3.81 0.00 0.00 0.16 -4.97 105.19 106.09 3i9d n GLY 89 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3i9d n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i9d s MET 90 N -3.68 3.89 0.11 1.61 -1.94 -0.23 -5.00 119.30 114.08 3i9d s MET 90 Ca 0.00 0.17 -0.31 0.00 -1.71 0.00 0.00 55.69 53.84 3i9d s MET 90 Cb 0.00 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 3i9d s MET 90 CO 0.00 0.57 1.55 -2.14 -0.01 0.00 0.00 175.02 174.99 3i9d s PRO 91 N -0.59 4.23 0.00 2.03 0.02 -1.15 -4.36 135.00 135.19 3i9d s PRO 91 Ca 0.19 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3i9d s PRO 91 Cb -0.14 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3i9d s PRO 91 CO 0.08 -0.61 0.00 2.48 -0.33 0.00 0.00 177.00 178.62 3i9d n TYR 92 N 4.57 -0.15 -3.28 6.54 0.18 -1.24 0.18 117.16 123.97 3i9d n TYR 92 Ca 0.14 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.86 3i9d n TYR 92 Cb 0.40 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.31 3i9d n TYR 92 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3i9d s VAL 93 N -0.18 -0.71 -0.11 -3.48 1.01 0.17 -4.42 120.40 112.68 3i9d s VAL 93 Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 61.98 61.98 3i9d s VAL 93 Cb 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 36.38 35.17 3i9d s VAL 93 CO 0.00 -0.20 0.50 -3.20 0.00 0.00 0.00 175.10 172.20 3i9d n ASN 94 N 5.37 0.25 -4.88 3.32 5.15 -1.26 -1.77 115.26 121.43 3i9d n ASN 94 Ca 0.01 0.10 -0.24 0.00 -0.60 0.00 0.00 54.58 53.85 3i9d n ASN 94 Cb 0.50 1.24 -0.02 0.00 -0.53 0.00 0.00 39.78 40.98 3i9d n ASN 94 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3i9d s GLN 95 N -3.14 2.32 -0.24 1.20 -1.52 -1.26 -4.64 119.66 112.38 3i9d s GLN 95 Ca -0.07 -1.87 -0.35 0.00 -1.95 0.00 0.00 55.36 51.12 3i9d s GLN 95 Cb 0.11 -2.17 -0.16 0.00 -0.22 0.00 0.00 33.01 30.56 3i9d s GLN 95 CO 0.86 -0.47 1.11 0.54 -0.25 0.00 0.00 175.29 177.08 3i9d n ARG 96 N -1.67 0.00 -2.34 2.91 3.00 -1.26 -4.73 116.66 112.56 3i9d n ARG 96 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 3i9d n ARG 96 Cb 0.64 -1.20 -0.03 0.00 0.00 0.00 0.00 32.46 31.87 3i9d n ARG 96 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 3i9d s TRP 97 N 1.47 2.40 0.30 -1.55 -0.00 -1.26 -4.95 118.94 115.34 3i9d s TRP 97 Ca 0.79 -0.66 -0.18 0.00 -0.00 0.00 0.00 56.10 56.06 3i9d s TRP 97 Cb -1.13 -4.41 -0.13 0.00 -0.00 0.00 0.00 33.47 27.81 3i9d s TRP 97 CO 0.58 -1.52 0.12 1.28 -0.00 0.00 0.00 176.95 177.41 3i9d n LEU 98 N 11.19 -2.09 -4.78 5.86 4.77 -1.26 -4.86 117.00 125.82 3i9d n LEU 98 Ca 0.47 0.69 -0.36 0.00 -0.03 0.00 0.00 56.01 56.78 3i9d n LEU 98 Cb 0.46 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 3i9d n LEU 98 CO 0.73 -3.20 0.75 -0.83 -1.33 0.00 0.00 177.39 173.51 3i9d s GLY 99 N -0.80 2.68 0.00 -0.72 0.00 -1.26 -3.46 107.32 103.76 3i9d s GLY 99 Ca 0.48 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3i9d s GLY 99 CO 0.49 1.13 0.00 0.61 0.00 0.00 0.00 173.10 175.34 3i9d n GLY 100 N 0.21 0.36 0.41 0.20 0.00 -1.26 -4.90 105.19 100.20 3i9d n GLY 100 Ca 0.07 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.32 3i9d n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3i9d h MET 101 N 0.83 0.38 0.00 1.61 0.00 -1.81 -1.05 114.93 114.88 3i9d h MET 101 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.68 3i9d h MET 101 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 31.60 31.83 3i9d h MET 101 CO 0.00 0.25 0.00 1.28 0.00 0.00 0.00 176.91 178.44 3i9d n LEU 102 N -4.62 0.00 -0.32 1.22 4.32 -1.26 -3.84 117.00 112.50 3i9d n LEU 102 Ca 0.25 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.30 3i9d n LEU 102 Cb 0.88 -0.42 0.14 0.00 -1.62 0.00 0.00 43.42 42.40 3i9d n LEU 102 CO 0.26 -0.42 0.60 0.35 -1.22 0.00 0.00 177.39 176.95 3i9d n THR 103 N -2.34 -0.38 -2.63 -5.08 -2.24 -1.25 0.11 114.28 100.47 3i9d n THR 103 Ca 0.00 2.04 -0.31 0.00 -2.27 0.00 0.00 64.05 63.51 3i9d n THR 103 Cb 0.00 -2.83 -0.01 0.00 -2.10 0.00 0.00 70.33 65.39 3i9d n THR 103 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i9d n ASN 104 N -5.44 5.50 -0.15 3.42 5.15 -0.41 -4.83 115.26 118.50 3i9d n ASN 104 Ca 0.15 -3.72 -0.03 0.00 -0.60 0.00 0.00 54.58 50.38 3i9d n ASN 104 Cb 0.47 -0.72 0.04 0.00 -0.53 0.00 0.00 39.78 39.04 3i9d n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3i9d h PHE 105 N 3.12 -0.09 -0.71 1.20 3.57 0.83 -2.92 116.94 121.94 3i9d h PHE 105 Ca 0.31 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.91 3i9d h PHE 105 Cb 0.52 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 3i9d h PHE 105 CO 0.98 -0.13 -0.42 1.17 -2.23 0.00 0.00 178.31 177.68 3i9d n LYS 106 N -5.25 -0.31 -0.10 1.11 3.00 -1.26 -0.77 118.16 114.57 3i9d n LYS 106 Ca 0.04 1.18 -0.11 0.00 -0.00 0.00 0.00 58.31 59.42 3i9d n LYS 106 Cb 0.25 -1.73 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 3i9d n LYS 106 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i9d h THR 107 N 0.00 1.27 -0.65 3.15 2.02 -1.87 -0.48 112.91 116.35 3i9d h THR 107 Ca 0.11 -1.06 0.10 0.00 0.77 0.00 0.00 66.41 66.33 3i9d h THR 107 Cb 0.29 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 3i9d h THR 107 CO -0.67 0.34 0.26 0.40 0.37 0.00 0.00 175.52 176.23 3i9d h ILE 108 N 0.34 0.77 -0.65 3.11 1.08 -1.33 -2.22 117.51 118.63 3i9d h ILE 108 Ca 0.08 -0.16 -0.06 0.00 -0.39 0.00 0.00 64.86 64.33 3i9d h ILE 108 Cb 0.52 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 3i9d h ILE 108 CO 0.03 0.08 0.17 0.28 -0.69 0.00 0.00 178.15 178.01 3i9d h SER 109 N 0.46 0.95 0.02 1.72 0.02 -0.62 -2.25 113.55 113.84 3i9d h SER 109 Ca 0.33 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i9d h SER 109 Cb 0.41 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3i9d h SER 109 CO -0.31 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.29 3i9d n GLN 110 N -4.25 0.01 0.02 3.45 6.02 -0.22 0.12 117.38 122.54 3i9d n GLN 110 Ca 0.05 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.46 3i9d n GLN 110 Cb 0.24 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.14 3i9d n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3i9d n ARG 111 N -1.31 0.15 -0.05 -1.09 5.12 -0.85 -3.88 116.66 114.75 3i9d n ARG 111 Ca 0.00 0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.74 3i9d n ARG 111 Cb 0.01 -1.57 -0.13 0.00 -1.16 0.00 0.00 32.46 29.61 3i9d n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i9d h VAL 112 N 0.00 1.21 -0.04 1.55 2.07 0.86 -3.20 116.25 118.70 3i9d h VAL 112 Ca 0.00 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 65.21 3i9d h VAL 112 Cb 0.62 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3i9d h VAL 112 CO 0.00 0.55 0.21 0.45 0.02 0.00 0.00 177.57 178.80 3i9d h HIS 113 N -0.71 0.00 0.04 1.57 3.86 -1.66 0.51 115.15 118.77 3i9d h HIS 113 Ca -0.24 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.70 3i9d h HIS 113 Cb 1.41 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.86 3i9d h HIS 113 CO 0.16 0.00 -1.41 -0.09 0.86 0.00 0.00 177.93 177.45 3i9d h ARG 114 N 0.00 0.09 -0.84 2.45 9.65 -1.67 -2.99 114.38 121.07 3i9d h ARG 114 Ca 0.02 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 3i9d h ARG 114 Cb 0.44 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 3i9d h ARG 114 CO -0.00 0.89 0.39 1.25 2.80 0.00 0.00 179.97 185.30 3i9d h LEU 115 N 0.03 1.11 -0.59 3.80 5.85 0.02 0.10 115.31 125.63 3i9d h LEU 115 Ca -0.18 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3i9d h LEU 115 Cb 1.93 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.68 3i9d h LEU 115 CO 0.13 0.95 0.00 -0.62 -0.34 0.00 0.00 178.44 178.55 3i9d n GLU 116 N -4.30 0.20 0.09 1.25 1.02 -0.81 0.15 120.64 118.23 3i9d n GLU 116 Ca 0.08 0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 57.46 3i9d n GLU 116 Cb 0.15 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 29.63 3i9d n GLU 116 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3i9d h GLU 117 N 0.00 0.36 0.00 3.49 4.39 -0.68 -2.12 114.58 120.01 3i9d h GLU 117 Ca 0.00 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3i9d h GLU 117 Cb 0.41 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3i9d h GLU 117 CO 0.00 1.17 -0.95 1.28 -1.16 0.00 0.00 179.01 179.35 3i9d n LEU 118 N -3.66 0.64 0.04 1.33 4.77 -0.57 -1.98 117.00 117.58 3i9d n LEU 118 Ca -0.08 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 3i9d n LEU 118 Cb 0.93 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 3i9d n LEU 118 CO 0.53 0.08 -0.24 -0.08 -1.33 0.00 0.00 177.39 176.35 3i9d h GLU 119 N 0.00 0.13 0.00 3.23 4.57 0.14 -3.22 114.58 119.42 3i9d h GLU 119 Ca 0.00 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 3i9d h GLU 119 Cb 0.67 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3i9d h GLU 119 CO 0.00 0.95 -1.53 0.00 -1.18 0.00 0.00 179.01 177.25 3i9d n ALA 120 N -2.55 2.41 0.12 2.92 0.00 -0.80 -3.94 120.51 118.67 3i9d n ALA 120 Ca -0.12 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 52.89 3i9d n ALA 120 Cb 1.02 -0.88 0.23 0.00 0.00 0.00 0.00 19.45 19.81 3i9d n ALA 120 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9d n LEU 121 N -2.59 3.33 0.00 0.00 4.77 -0.84 -4.44 117.00 117.23 3i9d n LEU 121 Ca -0.06 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 3i9d n LEU 121 Cb 0.66 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3i9d n LEU 121 CO 0.43 0.52 0.00 0.33 -1.33 0.00 0.00 177.39 177.34 3i9d n PHE 122 N 0.53 0.00 -2.76 -1.77 7.35 -1.22 -4.77 117.46 114.82 3i9d n PHE 122 Ca 0.16 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.42 3i9d n PHE 122 Cb 0.66 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.46 3i9d n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i9d s ALA 123 N -4.00 3.24 -0.01 3.13 0.00 -1.26 -4.87 121.76 117.99 3i9d s ALA 123 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 3i9d s ALA 123 Cb 0.00 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.53 3i9d s ALA 123 CO 0.00 -2.04 1.28 -1.54 0.00 0.00 0.00 175.76 173.46 3i9d s SER 124 N 2.25 -0.00 -1.23 0.00 1.04 -1.26 -4.99 113.70 109.50 3i9d s SER 124 Ca 0.40 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 3i9d s SER 124 Cb -0.10 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.32 3i9d s SER 124 CO 0.26 -0.32 2.36 -0.81 0.98 0.00 0.00 173.24 175.72 3i9d n PRO 125 N -0.84 4.52 0.00 4.02 -0.04 -1.26 -4.25 135.00 137.15 3i9d n PRO 125 Ca 0.02 -3.50 0.00 0.00 -0.04 0.00 0.00 63.50 59.98 3i9d n PRO 125 Cb 0.59 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3i9d n PRO 125 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i9d n GLU 126 N 1.48 0.00 0.10 0.54 2.13 -1.26 -5.03 120.64 118.59 3i9d n GLU 126 Ca 0.60 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 58.19 3i9d n GLU 126 Cb 0.27 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.83 3i9d n GLU 126 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 3i9d h ILE 127 N 0.00 1.35 -0.75 6.31 2.10 -1.89 -3.29 117.51 121.35 3i9d h ILE 127 Ca 0.00 -2.61 0.02 0.00 1.08 0.00 0.00 64.86 63.35 3i9d h ILE 127 Cb 0.00 3.09 -0.04 0.00 -1.09 0.00 0.00 36.82 38.78 3i9d h ILE 127 CO 0.00 0.77 0.49 -0.08 -1.08 0.00 0.00 178.15 178.25 3i9d h GLU 128 N -0.09 0.93 0.00 2.19 4.81 -1.96 -3.19 114.58 117.26 3i9d h GLU 128 Ca -0.22 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3i9d h GLU 128 Cb 1.93 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3i9d h GLU 128 CO 0.21 0.61 0.00 0.39 -0.73 0.00 0.00 179.01 179.50 3i9d n GLU 129 N -4.44 0.00 -1.74 1.92 -0.58 -1.24 -4.14 120.64 110.42 3i9d n GLU 129 Ca 0.09 0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 56.91 3i9d n GLU 129 Cb 0.08 -0.81 -0.03 0.00 -0.57 0.00 0.00 31.44 30.11 3i9d n GLU 129 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3i9d s ARG 130 N -2.23 4.15 1.03 3.49 0.52 -1.21 -4.97 118.95 119.73 3i9d s ARG 130 Ca 0.00 2.53 -0.15 0.00 -0.52 0.00 0.00 55.73 57.60 3i9d s ARG 130 Cb 0.00 -4.03 0.17 0.00 0.52 0.00 0.00 34.95 31.61 3i9d s ARG 130 CO 0.00 -0.91 0.28 -2.30 0.02 0.00 0.00 175.30 172.39 3i9d n PRO 131 N 7.12 -2.27 0.00 3.54 -0.02 -1.26 -4.47 135.00 137.64 3i9d n PRO 131 Ca 0.19 -0.67 0.08 0.00 -2.02 0.00 0.00 63.50 61.08 3i9d n PRO 131 Cb 0.41 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.77 3i9d n PRO 131 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i9d n LYS 132 N -1.88 0.10 -0.18 -0.52 4.81 -1.26 -1.24 118.16 117.99 3i9d n LYS 132 Ca 0.05 0.18 -0.10 0.00 -0.87 0.00 0.00 58.31 57.57 3i9d n LYS 132 Cb 0.39 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.95 3i9d n LYS 132 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3i9d h LYS 133 N 0.00 0.95 0.00 1.64 1.79 -2.02 -3.19 116.57 115.73 3i9d h LYS 133 Ca 0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3i9d h LYS 133 Cb 0.23 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3i9d h LYS 133 CO 0.00 0.99 -1.18 0.39 -1.08 0.00 0.00 179.45 178.57 3i9d n GLU 134 N -4.24 0.94 -0.02 3.15 1.02 -1.06 -4.22 120.64 116.21 3i9d n GLU 134 Ca 0.01 -0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 3i9d n GLU 134 Cb 0.36 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.33 3i9d n GLU 134 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i9d h GLN 135 N 0.00 -0.42 0.11 3.49 4.20 -1.16 -0.70 115.11 120.63 3i9d h GLN 135 Ca 0.00 0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.47 3i9d h GLN 135 Cb 0.56 0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.45 3i9d h GLN 135 CO 0.00 -0.28 -1.19 0.28 -0.67 0.00 0.00 178.83 176.97 3i9d h VAL 136 N -0.44 1.41 -0.22 -0.54 2.07 -1.83 -3.09 116.25 113.61 3i9d h VAL 136 Ca 0.03 -2.76 0.02 0.00 0.82 0.00 0.00 66.70 64.81 3i9d h VAL 136 Cb 0.52 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 3i9d h VAL 136 CO -0.35 0.82 -0.13 -1.14 0.02 0.00 0.00 177.57 176.78 3i9d n ARG 137 N -3.65 -0.10 -0.24 1.57 0.63 -1.06 0.25 116.66 114.06 3i9d n ARG 137 Ca -0.10 1.10 -0.04 0.00 -0.92 0.00 0.00 57.85 57.89 3i9d n ARG 137 Cb 0.98 -1.64 0.12 0.00 0.45 0.00 0.00 32.46 32.36 3i9d n ARG 137 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3i9d h LEU 138 N 0.00 0.99 -1.18 6.15 3.38 -1.27 0.33 115.31 123.71 3i9d h LEU 138 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3i9d h LEU 138 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3i9d h LEU 138 CO -0.21 0.89 0.12 0.11 0.09 0.00 0.00 178.44 179.44 3i9d h LYS 139 N 1.05 0.69 -0.07 1.13 6.56 -1.09 -1.30 116.57 123.53 3i9d h LYS 139 Ca 0.24 -0.12 -0.19 0.00 -1.06 0.00 0.00 60.65 59.51 3i9d h LYS 139 Cb 0.22 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.77 3i9d h LYS 139 CO -0.02 0.62 -0.77 1.25 -2.06 0.00 0.00 179.45 178.48 3i9d h HIS 140 N 0.67 0.59 0.00 -1.35 2.76 0.42 -2.89 115.15 115.35 3i9d h HIS 140 Ca 0.15 -0.27 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 3i9d h HIS 140 Cb 0.24 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.12 3i9d h HIS 140 CO 0.01 1.04 0.00 -1.91 -1.30 0.00 0.00 177.93 175.78 3i9d n GLU 141 N -3.83 0.35 0.00 5.26 2.13 0.11 -2.54 120.64 122.13 3i9d n GLU 141 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3i9d n GLU 141 Cb 0.73 -1.06 0.00 0.00 0.27 0.00 0.00 31.44 31.38 3i9d n GLU 141 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i9d n LEU 142 N -0.21 2.00 0.01 4.31 0.00 -1.09 -4.40 117.00 117.62 3i9d n LEU 142 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.08 3i9d n LEU 142 Cb 0.03 0.00 0.48 0.00 0.00 0.00 0.00 43.42 43.93 3i9d n LEU 142 CO 0.00 0.33 1.16 -0.33 0.00 0.00 0.00 177.39 178.55 3i9d h GLU 143 N 0.00 0.42 -0.12 1.96 5.08 -1.51 1.13 114.58 121.53 3i9d h GLU 143 Ca 0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3i9d h GLU 143 Cb 0.98 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3i9d h GLU 143 CO 0.00 0.28 -0.45 0.07 -1.00 0.00 0.00 179.01 177.91 3i9d h ARG 144 N 0.43 0.52 0.45 2.33 0.11 -1.84 0.30 114.38 116.68 3i9d h ARG 144 Ca 0.17 -0.40 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 3i9d h ARG 144 Cb 0.14 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 3i9d h ARG 144 CO -0.04 1.02 -0.49 -0.07 0.10 0.00 0.00 179.97 180.49 3i9d h LEU 145 N 0.13 -1.35 -2.40 0.08 -0.00 -1.15 -0.79 115.31 109.83 3i9d h LEU 145 Ca -0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3i9d h LEU 145 Cb 1.08 0.45 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 3i9d h LEU 145 CO 0.09 -0.63 0.00 -0.61 -0.00 0.00 0.00 178.44 177.29 3i9d h GLN 146 N -0.94 0.00 0.11 1.13 4.15 0.11 -0.05 115.11 119.62 3i9d h GLN 146 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3i9d h GLN 146 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 3i9d h GLN 146 CO -0.08 0.00 -0.05 -0.22 -1.93 0.00 0.00 178.83 176.55 3i9d h LYS 147 N 0.00 -0.14 0.01 1.69 3.64 0.47 -2.68 116.57 119.57 3i9d h LYS 147 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i9d h LYS 147 Cb 0.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3i9d h LYS 147 CO 0.00 0.36 -0.01 1.88 -2.27 0.00 0.00 179.45 179.41 3i9d h TYR 148 N -0.84 -0.02 0.00 1.91 0.05 -1.20 -3.32 116.97 113.55 3i9d h TYR 148 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3i9d h TYR 148 Cb 0.56 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3i9d h TYR 148 CO 0.11 0.12 0.00 1.28 -1.05 0.00 0.00 178.16 178.62 3i9d n LEU 149 N -4.77 3.07 -0.16 3.88 4.77 -0.04 -4.49 117.00 119.25 3i9d n LEU 149 Ca -0.02 -1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 54.45 3i9d n LEU 149 Cb 0.07 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 3i9d n LEU 149 CO 0.05 0.54 0.68 -1.28 -1.33 0.00 0.00 177.39 176.05 3i9d h SER 150 N 0.68 -0.90 0.00 -1.43 0.87 -1.58 -3.22 113.55 107.98 3i9d h SER 150 Ca 0.00 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 3i9d h SER 150 Cb 0.83 0.46 -0.07 0.00 -0.44 0.00 0.00 62.40 63.19 3i9d h SER 150 CO 0.00 -0.27 -0.43 0.61 -0.53 0.00 0.00 176.83 176.21 3i9d n GLY 151 N -1.42 3.11 0.09 5.77 0.00 -1.26 -4.67 105.19 106.82 3i9d n GLY 151 Ca 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 3i9d n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i9d n PHE 152 N -0.65 0.99 -0.33 1.61 -0.00 -1.21 -3.65 117.46 114.22 3i9d n PHE 152 Ca 0.11 0.34 0.21 0.00 -0.00 0.00 0.00 57.45 58.10 3i9d n PHE 152 Cb 0.76 -1.11 0.40 0.00 -0.00 0.00 0.00 39.48 39.52 3i9d n PHE 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i9d h ARG 153 N 0.00 0.05 -6.48 -4.13 3.08 -1.83 -3.39 114.38 101.67 3i9d h ARG 153 Ca -0.19 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.33 3i9d h ARG 153 Cb 1.68 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 31.76 3i9d h ARG 153 CO 0.05 0.03 1.11 -0.51 -1.07 0.00 0.00 179.97 179.58 3i9d s LEU 154 N -10.76 4.40 0.00 3.04 1.43 -1.26 -4.19 118.68 111.34 3i9d s LEU 154 Ca -0.11 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 3i9d s LEU 154 Cb 0.30 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3i9d s LEU 154 CO 0.78 -0.99 0.00 -0.11 0.23 0.00 0.00 176.35 176.26 3i9d n LEU 155 N 5.86 -1.74 -2.18 1.79 -0.00 -1.26 -4.74 117.00 114.73 3i9d n LEU 155 Ca 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.08 3i9d n LEU 155 Cb 0.39 -0.87 -0.13 0.00 -0.00 0.00 0.00 43.42 42.81 3i9d n LEU 155 CO 0.65 0.00 1.47 0.29 -0.00 0.00 0.00 177.39 179.80 3i9d n LYS 156 N -0.64 1.64 -3.64 1.96 5.02 -1.26 -4.57 118.16 116.67 3i9d n LYS 156 Ca 0.00 -0.84 -0.10 0.00 -2.02 0.00 0.00 58.31 55.35 3i9d n LYS 156 Cb 0.20 -1.94 -0.07 0.00 -0.02 0.00 0.00 35.03 33.21 3i9d n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3i9d s ARG 157 N 1.53 0.60 0.34 1.97 3.52 -1.26 -5.15 118.95 120.49 3i9d s ARG 157 Ca 0.52 0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 56.61 3i9d s ARG 157 Cb 0.24 0.26 -0.12 0.00 -1.56 0.00 0.00 34.95 33.78 3i9d s ARG 157 CO -0.00 -0.08 1.41 1.47 -0.81 0.00 0.00 175.30 177.29 3i9d n LEU 158 N 2.71 4.04 0.00 -0.88 -0.00 -1.26 -5.01 117.00 116.60 3i9d n LEU 158 Ca -0.14 1.20 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 3i9d n LEU 158 Cb 0.56 -1.54 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 3i9d n LEU 158 CO 0.02 -0.18 0.00 -0.81 -0.00 0.00 0.00 177.39 176.42 3i9d n PRO 159 N 0.89 2.64 -1.40 1.47 -0.04 -1.26 -5.03 135.00 132.27 3i9d n PRO 159 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 3i9d n PRO 159 Cb 0.37 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 3i9d n PRO 159 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3i9d n ASP 160 N 0.00 -0.73 0.00 3.54 2.03 -1.23 -5.01 116.55 115.16 3i9d n ASP 160 Ca 0.00 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.87 3i9d n ASP 160 Cb 0.00 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 3i9d n ASP 160 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i9d n ALA 161 N -0.40 0.00 -3.64 -1.67 0.00 -1.25 -4.48 120.51 109.07 3i9d n ALA 161 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3i9d n ALA 161 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 3i9d n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3i9d s ILE 162 N -2.00 -0.01 -0.15 0.00 -4.36 -1.20 -1.28 121.20 112.20 3i9d s ILE 162 Ca 0.00 0.05 -0.07 0.00 -0.26 0.00 0.00 60.65 60.37 3i9d s ILE 162 Cb 0.00 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 3i9d s ILE 162 CO 0.00 0.02 0.11 0.12 0.24 0.00 0.00 174.94 175.43 3i9d s PHE 163 N 1.30 3.44 -0.02 1.37 5.99 -0.21 -1.82 117.98 128.04 3i9d s PHE 163 Ca -0.08 0.36 0.02 0.00 0.00 0.00 0.00 56.93 57.23 3i9d s PHE 163 Cb -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 43.02 40.96 3i9d s PHE 163 CO -0.13 0.50 -0.07 0.08 -0.00 0.00 0.00 175.22 175.60 3i9d s VAL 164 N -0.44 0.62 0.00 3.12 1.01 -0.78 0.15 120.40 124.08 3i9d s VAL 164 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3i9d s VAL 164 Cb -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3i9d s VAL 164 CO 0.02 0.20 0.55 1.33 0.00 0.00 0.00 175.10 177.20 3i9d n VAL 165 N 3.23 0.00 -3.88 2.92 0.24 -1.07 0.13 118.33 119.90 3i9d n VAL 165 Ca -0.17 1.04 -0.35 0.00 -2.04 0.00 0.00 64.34 62.82 3i9d n VAL 165 Cb 0.55 -2.02 -0.14 0.00 -1.47 0.00 0.00 33.84 30.77 3i9d n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i9d s ASP 166 N -2.39 4.89 0.31 -1.34 3.68 -1.26 -3.30 116.67 117.25 3i9d s ASP 166 Ca 0.00 -1.16 -0.01 0.00 2.13 0.00 0.00 52.55 53.51 3i9d s ASP 166 Cb 0.00 -1.74 0.48 0.00 -1.45 0.00 0.00 42.92 40.21 3i9d s ASP 166 CO 0.00 -0.25 1.94 1.55 0.13 0.00 0.00 175.17 178.54 3i9d h PRO 167 N 8.05 0.95 -0.01 4.34 0.13 -1.83 -2.93 132.00 140.70 3i9d h PRO 167 Ca -0.24 -0.09 -0.19 0.00 -0.87 0.00 0.00 66.00 64.61 3i9d h PRO 167 Cb 1.07 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 3i9d h PRO 167 CO 0.55 0.69 -0.82 0.00 -0.23 0.00 0.00 178.00 178.19 3i9d h THR 168 N 0.96 1.47 0.00 1.56 1.03 -1.94 -0.59 112.91 115.39 3i9d h THR 168 Ca 0.25 -2.47 -0.04 0.00 -0.01 0.00 0.00 66.41 64.14 3i9d h THR 168 Cb 0.00 2.36 -0.01 0.00 -1.07 0.00 0.00 68.15 69.44 3i9d h THR 168 CO -0.04 0.72 -0.17 0.50 -0.01 0.00 0.00 175.52 176.52 3i9d h LYS 169 N 0.13 0.00 -0.85 0.00 3.11 -1.95 -2.49 116.57 114.52 3i9d h LYS 169 Ca -0.04 0.00 -0.51 0.00 -2.81 0.00 0.00 60.65 57.30 3i9d h LYS 169 Cb 1.43 0.00 -0.42 0.00 -1.00 0.00 0.00 32.23 32.23 3i9d h LYS 169 CO 0.13 0.17 -0.86 0.39 -2.81 0.00 0.00 179.45 176.47 3i9d n GLU 170 N -3.48 3.22 -0.40 1.90 4.71 -1.14 -4.81 120.64 120.64 3i9d n GLU 170 Ca -0.01 -4.10 0.37 0.00 -0.01 0.00 0.00 57.16 53.41 3i9d n GLU 170 Cb 0.34 -2.14 0.73 0.00 -1.01 0.00 0.00 31.44 29.35 3i9d n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9d h ALA 171 N 2.34 3.11 0.01 0.62 0.00 -0.62 0.47 119.26 125.19 3i9d h ALA 171 Ca 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3i9d h ALA 171 Cb 1.38 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3i9d h ALA 171 CO 0.68 -1.53 -0.06 0.82 0.00 0.00 0.00 179.25 179.17 3i9d h ILE 172 N 0.06 0.85 -0.42 0.00 5.03 -1.86 -2.05 117.51 119.12 3i9d h ILE 172 Ca 0.66 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.44 3i9d h ILE 172 Cb 2.47 0.85 -0.06 0.00 -3.03 0.00 0.00 36.82 37.05 3i9d h ILE 172 CO -0.08 0.00 -0.38 0.00 -0.68 0.00 0.00 178.15 177.01 3i9d h ALA 173 N 0.88 -0.53 -1.03 1.87 0.00 -0.40 0.81 119.26 120.86 3i9d h ALA 173 Ca 0.02 0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.22 3i9d h ALA 173 Cb 0.13 1.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 3i9d h ALA 173 CO -0.05 -0.74 0.67 0.28 0.00 0.00 0.00 179.25 179.40 3i9d h VAL 174 N -0.17 0.53 0.00 0.00 2.07 -1.53 0.11 116.25 117.27 3i9d h VAL 174 Ca 0.07 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3i9d h VAL 174 Cb 0.35 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3i9d h VAL 174 CO -0.49 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.04 3i9d n ARG 175 N -4.62 0.00 -0.17 1.57 3.00 0.27 0.62 116.66 117.33 3i9d n ARG 175 Ca 0.25 0.24 -0.05 0.00 -0.00 0.00 0.00 57.85 58.29 3i9d n ARG 175 Cb 0.87 -1.12 0.02 0.00 0.00 0.00 0.00 32.46 32.22 3i9d n ARG 175 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i9d h GLU 176 N 0.00 -0.14 0.00 -0.14 5.08 -0.84 -2.17 114.58 116.37 3i9d h GLU 176 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i9d h GLU 176 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3i9d h GLU 176 CO 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 179.01 177.92 3i9d n ALA 177 N -3.07 -0.18 -0.68 3.43 0.00 0.35 -2.45 120.51 117.92 3i9d n ALA 177 Ca 0.04 0.00 0.52 0.00 0.00 0.00 0.00 53.44 53.99 3i9d n ALA 177 Cb 0.34 0.10 0.80 0.00 0.00 0.00 0.00 19.45 20.69 3i9d n ALA 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9d n ARG 178 N -1.41 -0.01 0.22 0.00 3.00 0.20 0.12 116.66 118.78 3i9d n ARG 178 Ca 0.00 1.12 -0.14 0.00 -0.00 0.00 0.00 57.85 58.83 3i9d n ARG 178 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 32.46 29.87 3i9d n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 3i9d h LYS 179 N 0.00 -0.56 0.00 -0.14 3.64 -1.19 -3.08 116.57 115.25 3i9d h LYS 179 Ca 0.94 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.36 3i9d h LYS 179 Cb 3.64 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 35.59 3i9d h LYS 179 CO -0.09 -0.25 0.00 1.28 -2.27 0.00 0.00 179.45 178.11 3i9d n LEU 180 N -5.23 0.00 -1.09 5.20 4.77 0.12 -4.78 117.00 115.99 3i9d n LEU 180 Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 3i9d n LEU 180 Cb 0.29 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3i9d n LEU 180 CO 0.31 0.00 -0.13 0.49 -1.33 0.00 0.00 177.39 176.73 3i9d n PHE 181 N -0.62 -0.12 -3.05 -1.77 3.72 -1.16 -4.96 117.46 109.50 3i9d n PHE 181 Ca 0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.98 3i9d n PHE 181 Cb 0.01 -2.44 -0.05 0.00 -0.94 0.00 0.00 39.48 36.06 3i9d n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i9d s ILE 182 N -2.51 4.69 0.11 4.37 1.01 -1.19 -5.02 121.20 122.66 3i9d s ILE 182 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 3i9d s ILE 182 Cb 0.00 -4.48 -0.13 0.00 0.01 0.00 0.00 42.46 37.86 3i9d s ILE 182 CO 0.00 -1.09 0.48 -2.65 0.00 0.00 0.00 174.94 171.68 3i9d n PRO 183 N 6.67 0.00 -4.73 2.79 -0.02 -1.26 -4.18 135.00 134.27 3i9d n PRO 183 Ca -0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.18 3i9d n PRO 183 Cb 0.44 -0.82 -0.15 0.00 -0.02 0.00 0.00 33.50 32.95 3i9d n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i9d s VAL 184 N -0.56 1.24 0.05 -1.45 1.01 -1.26 -3.25 120.40 116.19 3i9d s VAL 184 Ca 0.52 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3i9d s VAL 184 Cb -0.74 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3i9d s VAL 184 CO 0.41 0.35 -0.06 0.27 0.00 0.00 0.00 175.10 176.08 3i9d s ILE 185 N -0.29 0.44 -0.18 2.22 -4.36 -0.76 -1.93 121.20 116.35 3i9d s ILE 185 Ca 0.04 -1.40 -0.31 0.00 -0.26 0.00 0.00 60.65 58.72 3i9d s ILE 185 Cb -0.07 -0.98 0.14 0.00 1.25 0.00 0.00 42.46 42.80 3i9d s ILE 185 CO -0.00 -0.65 1.12 0.00 0.24 0.00 0.00 174.94 175.65 3i9d s ALA 186 N -2.44 -2.00 -1.09 2.27 0.00 -1.23 -1.86 121.76 115.40 3i9d s ALA 186 Ca -0.02 1.58 -0.22 0.00 0.00 0.00 0.00 51.96 53.30 3i9d s ALA 186 Cb -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3i9d s ALA 186 CO -0.03 -0.43 1.73 -1.17 0.00 0.00 0.00 175.76 175.86 3i9d s LEU 187 N -1.58 3.42 0.70 0.00 1.98 0.35 -1.53 118.68 122.03 3i9d s LEU 187 Ca 0.05 -1.54 -0.10 0.00 -2.89 0.00 0.00 54.13 49.65 3i9d s LEU 187 Cb -0.01 -2.57 0.03 0.00 0.66 0.00 0.00 46.19 44.30 3i9d s LEU 187 CO -0.04 -2.01 1.06 0.00 -1.89 0.00 0.00 176.35 173.47 3i9d s ALA 188 N 7.12 2.98 0.24 5.97 0.00 0.27 -4.37 121.76 133.98 3i9d s ALA 188 Ca 0.58 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3i9d s ALA 188 Cb -0.01 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.32 3i9d s ALA 188 CO 0.01 -1.20 0.78 -0.40 0.00 0.00 0.00 175.76 174.95 3i9d n ASP 189 N -2.96 -1.70 -0.05 0.00 5.75 -1.26 0.12 116.55 116.44 3i9d n ASP 189 Ca 0.07 -2.05 0.25 0.00 -0.01 0.00 0.00 54.79 53.05 3i9d n ASP 189 Cb 0.59 2.80 0.71 0.00 -1.03 0.00 0.00 41.12 44.19 3i9d n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3i9d h THR 190 N 1.84 0.40 -0.75 2.12 1.35 -1.92 -2.61 112.91 113.33 3i9d h THR 190 Ca -0.26 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.73 3i9d h THR 190 Cb 1.03 0.54 -0.13 0.00 -1.73 0.00 0.00 68.15 67.86 3i9d h THR 190 CO 0.33 0.00 -0.35 -0.78 -0.25 0.00 0.00 175.52 174.47 3i9d h ASP 191 N 0.00 -1.26 -3.40 5.36 -0.00 -1.87 -3.26 116.42 111.99 3i9d h ASP 191 Ca 0.32 0.26 -0.10 0.00 -0.00 0.00 0.00 57.03 57.51 3i9d h ASP 191 Cb 1.54 0.65 -0.02 0.00 -0.00 0.00 0.00 39.33 41.50 3i9d h ASP 191 CO -0.00 -0.30 -0.07 -0.24 -0.00 0.00 0.00 179.24 178.63 3i9d n SER 192 N -5.45 2.08 -4.95 2.28 2.88 -0.99 -4.57 113.62 104.90 3i9d n SER 192 Ca 0.07 -1.34 -0.24 0.00 -1.33 0.00 0.00 58.87 56.02 3i9d n SER 192 Cb 0.37 0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 3i9d n SER 192 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3i9d s ASP 193 N -1.45 6.34 -0.07 -3.46 3.84 -1.26 -4.70 116.67 115.90 3i9d s ASP 193 Ca 0.01 0.18 -0.08 0.00 -0.00 0.00 0.00 52.55 52.65 3i9d s ASP 193 Cb -0.00 -1.91 -0.05 0.00 -1.38 0.00 0.00 42.92 39.58 3i9d s ASP 193 CO 0.00 -0.01 0.32 1.55 -0.00 0.00 0.00 175.17 177.03 3i9d h PRO 194 N 1.75 -0.23 -1.75 2.11 0.13 -1.93 -3.38 132.00 128.70 3i9d h PRO 194 Ca -0.50 0.02 0.54 0.00 -0.87 0.00 0.00 66.00 65.19 3i9d h PRO 194 Cb 1.21 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 3i9d h PRO 194 CO 0.66 -0.12 1.22 -0.25 -0.23 0.00 0.00 178.00 179.27 3i9d n ASP 195 N -4.94 0.08 0.00 1.44 8.00 -1.26 0.56 116.55 120.44 3i9d n ASP 195 Ca -0.03 1.15 0.07 0.00 0.71 0.00 0.00 54.79 56.68 3i9d n ASP 195 Cb 0.11 -0.57 0.41 0.00 -0.02 0.00 0.00 41.12 41.05 3i9d n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i9d n LEU 196 N -4.23 0.00 -4.26 0.64 -0.00 -1.26 -4.69 117.00 103.20 3i9d n LEU 196 Ca 0.43 0.06 -0.20 0.00 -0.00 0.00 0.00 56.01 56.30 3i9d n LEU 196 Cb 1.85 -0.06 -0.12 0.00 -0.00 0.00 0.00 43.42 45.09 3i9d n LEU 196 CO 0.34 -0.03 -0.48 -0.69 -0.00 0.00 0.00 177.39 176.53 3i9d s VAL 197 N -2.12 1.49 -0.09 1.47 1.01 0.19 -5.00 120.40 117.35 3i9d s VAL 197 Ca 0.20 -1.62 -0.00 0.00 0.00 0.00 0.00 61.98 60.55 3i9d s VAL 197 Cb 0.10 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 3i9d s VAL 197 CO 0.18 -0.26 -0.00 0.44 0.00 0.00 0.00 175.10 175.46 3i9d h ASP 198 N 3.78 0.00 -3.75 3.32 3.45 -1.65 -3.44 116.42 118.13 3i9d h ASP 198 Ca -0.42 0.00 -0.66 0.00 0.43 0.00 0.00 57.03 56.37 3i9d h ASP 198 Cb 1.19 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 39.57 3i9d h ASP 198 CO 0.45 0.45 -0.67 -0.31 -1.57 0.00 0.00 179.24 177.60 3i9d s TYR 199 N -1.50 3.65 0.58 4.55 1.51 -1.12 -5.06 117.35 119.97 3i9d s TYR 199 Ca -0.00 -2.92 -0.14 0.00 -1.01 0.00 0.00 57.07 53.01 3i9d s TYR 199 Cb 0.00 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 3i9d s TYR 199 CO 0.00 -0.92 1.02 0.42 -1.11 0.00 0.00 175.55 174.96 3i9d s ILE 200 N 0.76 4.49 -0.54 2.71 1.09 -1.26 -3.55 121.20 124.90 3i9d s ILE 200 Ca 0.11 0.99 0.04 0.00 -1.10 0.00 0.00 60.65 60.70 3i9d s ILE 200 Cb -0.21 -3.72 0.17 0.00 -1.06 0.00 0.00 42.46 37.64 3i9d s ILE 200 CO -0.06 -0.88 0.40 -0.63 -0.10 0.00 0.00 174.94 173.67 3i9d s ILE 201 N -2.88 1.45 -0.84 2.92 -1.09 -0.58 -4.74 121.20 115.44 3i9d s ILE 201 Ca 0.58 -3.33 -0.25 0.00 -2.23 0.00 0.00 60.65 55.41 3i9d s ILE 201 Cb -0.11 -1.97 -0.16 0.00 -1.58 0.00 0.00 42.46 38.63 3i9d s ILE 201 CO 0.44 -1.13 2.35 -0.81 -1.23 0.00 0.00 174.94 174.56 3i9d n PRO 202 N 2.50 0.46 -3.51 2.79 -0.04 -1.25 -0.56 135.00 135.39 3i9d n PRO 202 Ca 0.25 -0.96 -0.09 0.00 -0.04 0.00 0.00 63.50 62.66 3i9d n PRO 202 Cb 0.42 -3.63 -0.02 0.00 -0.04 0.00 0.00 33.50 30.23 3i9d n PRO 202 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3i9d s GLY 203 N 10.06 -0.46 -0.37 0.55 0.00 0.32 -4.67 107.32 112.75 3i9d s GLY 203 Ca 0.92 1.08 -0.35 0.00 0.00 0.00 0.00 44.72 46.37 3i9d s GLY 203 CO 0.12 0.39 1.22 -2.01 0.00 0.00 0.00 173.10 172.81 3i9d n ASN 204 N -0.16 0.88 -0.19 1.64 4.05 -1.19 -4.27 115.26 116.02 3i9d n ASN 204 Ca -0.09 0.86 0.13 0.00 0.45 0.00 0.00 54.58 55.92 3i9d n ASN 204 Cb 0.61 -0.65 0.37 0.00 1.23 0.00 0.00 39.78 41.34 3i9d n ASN 204 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3i9d n ASP 205 N 3.15 0.89 -4.47 1.20 5.75 -1.26 -4.44 116.55 117.36 3i9d n ASP 205 Ca 0.24 -0.75 -0.22 0.00 -0.01 0.00 0.00 54.79 54.05 3i9d n ASP 205 Cb -0.04 0.14 -0.11 0.00 -1.03 0.00 0.00 41.12 40.08 3i9d n ASP 205 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3i9d s ASP 206 N -2.59 2.61 -0.05 -1.12 1.11 -1.26 -4.73 116.67 110.64 3i9d s ASP 206 Ca 0.22 -1.36 -0.03 0.00 0.18 0.00 0.00 52.55 51.56 3i9d s ASP 206 Cb 0.19 -0.13 0.01 0.00 1.07 0.00 0.00 42.92 44.06 3i9d s ASP 206 CO 0.55 -0.56 0.06 0.00 1.18 0.00 0.00 175.17 176.40 3i9d n ALA 207 N -0.72 -3.19 -0.39 5.23 0.00 -1.26 -4.54 120.51 115.63 3i9d n ALA 207 Ca -0.03 0.63 0.32 0.00 0.00 0.00 0.00 53.44 54.36 3i9d n ALA 207 Cb 0.66 -1.22 0.50 0.00 0.00 0.00 0.00 19.45 19.39 3i9d n ALA 207 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i9d n ILE 208 N 0.43 0.00 0.00 0.00 5.41 -1.25 -1.87 119.36 122.08 3i9d n ILE 208 Ca -0.11 1.02 0.00 0.00 1.00 0.00 0.00 62.75 64.66 3i9d n ILE 208 Cb 0.17 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 3i9d n ILE 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i9d n ARG 209 N -3.15 0.00 0.23 0.38 5.12 -1.26 0.11 116.66 118.09 3i9d n ARG 209 Ca 0.27 0.81 0.14 0.00 -1.93 0.00 0.00 57.85 57.14 3i9d n ARG 209 Cb 1.34 -1.39 0.43 0.00 -1.16 0.00 0.00 32.46 31.69 3i9d n ARG 209 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i9d h SER 210 N 0.00 0.00 -0.11 0.55 0.87 -1.57 -2.21 113.55 111.08 3i9d h SER 210 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 3i9d h SER 210 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3i9d h SER 210 CO 0.00 0.00 -0.81 0.40 -0.53 0.00 0.00 176.83 175.89 3i9d h ILE 211 N 0.00 1.28 0.10 2.23 2.04 -1.35 -2.78 117.51 119.03 3i9d h ILE 211 Ca 0.00 -2.01 -0.26 0.00 1.00 0.00 0.00 64.86 63.59 3i9d h ILE 211 Cb 0.73 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3i9d h ILE 211 CO 0.00 0.64 -1.19 -0.61 0.00 0.00 0.00 178.15 176.99 3i9d h GLN 212 N 0.51 0.24 -0.02 2.37 -0.00 0.84 -3.13 115.11 115.92 3i9d h GLN 212 Ca -0.06 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.65 58.18 3i9d h GLN 212 Cb 1.44 0.15 -0.00 0.00 0.00 0.00 0.00 27.48 29.06 3i9d h GLN 212 CO 0.16 1.18 -0.03 1.25 0.00 0.00 0.00 178.83 181.39 3i9d h LEU 213 N 0.07 0.07 -0.95 -2.39 6.46 -1.47 -0.91 115.31 116.20 3i9d h LEU 213 Ca -0.11 -0.53 -0.08 0.00 -0.12 0.00 0.00 57.88 57.04 3i9d h LEU 213 Cb 1.91 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.81 3i9d h LEU 213 CO 0.19 0.59 -0.38 0.40 -0.62 0.00 0.00 178.44 178.62 3i9d h ILE 214 N -0.44 0.91 0.10 4.05 1.08 -1.65 -3.15 117.51 118.41 3i9d h ILE 214 Ca 0.00 -1.52 -0.20 0.00 -0.39 0.00 0.00 64.86 62.75 3i9d h ILE 214 Cb 0.57 1.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 3i9d h ILE 214 CO 0.01 0.37 -0.98 0.25 -0.69 0.00 0.00 178.15 177.11 3i9d h LEU 215 N 0.00 0.33 0.00 1.44 7.12 -1.61 -3.25 115.31 119.34 3i9d h LEU 215 Ca -0.00 -0.88 0.00 0.00 0.13 0.00 0.00 57.88 57.12 3i9d h LEU 215 Cb 0.89 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 3i9d h LEU 215 CO 0.05 1.44 0.00 -0.24 -0.13 0.00 0.00 178.44 179.56 3i9d n SER 216 N -4.14 0.00 -0.39 1.25 2.88 -0.35 -0.70 113.62 112.18 3i9d n SER 216 Ca -0.19 0.45 0.36 0.00 -1.33 0.00 0.00 58.87 58.16 3i9d n SER 216 Cb 0.80 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.97 3i9d n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3i9d h ARG 217 N 0.00 0.07 -0.49 -1.46 3.08 -1.79 1.08 114.38 114.87 3i9d h ARG 217 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3i9d h ARG 217 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3i9d h ARG 217 CO 0.00 0.04 0.05 0.00 -1.07 0.00 0.00 179.97 179.00 3i9d h ALA 218 N 1.40 1.17 -0.14 0.04 0.00 -1.48 -2.51 119.26 117.75 3i9d h ALA 218 Ca 0.65 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 3i9d h ALA 218 Cb 2.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 3i9d h ALA 218 CO -0.09 0.55 -0.54 0.28 0.00 0.00 0.00 179.25 179.44 3i9d h VAL 219 N 0.75 1.34 -0.26 0.00 2.07 0.35 -3.19 116.25 117.30 3i9d h VAL 219 Ca 0.15 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3i9d h VAL 219 Cb 0.38 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3i9d h VAL 219 CO 0.01 0.55 0.14 0.44 0.02 0.00 0.00 177.57 178.73 3i9d h ASP 220 N 0.31 0.21 -0.47 0.57 3.32 -1.01 -2.13 116.42 117.22 3i9d h ASP 220 Ca 0.01 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.20 3i9d h ASP 220 Cb 1.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3i9d h ASP 220 CO 0.09 0.16 0.59 0.25 -1.72 0.00 0.00 179.24 178.61 3i9d h LEU 221 N 0.29 0.00 0.00 1.55 7.12 -1.47 1.78 115.31 124.57 3i9d h LEU 221 Ca 0.11 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.93 3i9d h LEU 221 Cb 0.02 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.12 3i9d h LEU 221 CO -0.07 0.00 -1.11 0.40 -0.13 0.00 0.00 178.44 177.53 3i9d h ILE 222 N 0.00 0.95 0.02 4.05 2.04 -1.50 -3.15 117.51 119.91 3i9d h ILE 222 Ca 0.22 -2.52 -0.22 0.00 1.00 0.00 0.00 64.86 63.35 3i9d h ILE 222 Cb 1.41 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 39.87 3i9d h ILE 222 CO -0.00 0.54 -1.03 0.40 0.00 0.00 0.00 178.15 178.06 3i9d h ILE 223 N 0.00 1.69 0.82 -0.67 2.04 0.25 -2.81 117.51 118.83 3i9d h ILE 223 Ca -0.10 -3.37 -0.04 0.00 1.00 0.00 0.00 64.86 62.34 3i9d h ILE 223 Cb 1.65 2.86 0.01 0.00 -0.74 0.00 0.00 36.82 40.60 3i9d h ILE 223 CO 0.08 0.97 -0.39 -0.61 0.00 0.00 0.00 178.15 178.19 3i9d h GLN 224 N 0.01 -1.06 0.00 2.37 5.75 0.26 0.50 115.11 122.95 3i9d h GLN 224 Ca -0.03 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3i9d h GLN 224 Cb 1.80 0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.59 3i9d h GLN 224 CO 0.14 -0.69 0.00 0.00 -2.65 0.00 0.00 178.83 175.63 3i9d n ALA 225 N -2.63 2.09 -0.00 3.38 0.00 -1.19 -3.29 120.51 118.86 3i9d n ALA 225 Ca -0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 3i9d n ALA 225 Cb 0.44 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 3i9d n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9d n ARG 226 N -1.00 0.01 0.00 0.00 0.63 -0.72 -4.29 116.66 111.28 3i9d n ARG 226 Ca 0.12 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3i9d n ARG 226 Cb 0.05 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.33 3i9d n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9d n GLY 227 N 1.62 -1.22 1.30 5.14 0.00 0.17 -5.07 105.19 107.13 3i9d n GLY 227 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3i9d n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 228 N 0.00 -1.38 3.50 -0.02 0.00 -1.24 -4.89 105.19 101.16 3i9d n GLY 228 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3i9d n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9d n VAL 229 N -0.24 0.93 0.00 1.61 0.31 -1.26 -4.89 118.33 114.78 3i9d n VAL 229 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 64.34 63.40 3i9d n VAL 229 Cb 0.00 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 3i9d n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3i9d n VAL 230 N 7.93 0.00 -0.06 2.52 0.24 -1.26 -4.93 118.33 122.77 3i9d n VAL 230 Ca 0.44 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.72 3i9d n VAL 230 Cb 0.45 -0.17 -0.00 0.00 -1.47 0.00 0.00 33.84 32.65 3i9d n VAL 230 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i9d n GLU 231 N 0.00 0.00 0.00 7.34 4.07 -1.26 -4.73 120.64 126.06 3i9d n GLU 231 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i9d n GLU 231 Cb 0.00 -0.05 0.00 0.00 -0.06 0.00 0.00 31.44 31.33 3i9d n GLU 231 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3i9d n PRO 232 N 0.05 0.46 -0.52 5.31 -0.02 -1.26 -4.96 135.00 134.07 3i9d n PRO 232 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3i9d n PRO 232 Cb 0.01 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 3i9d n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i9d n SER 233 N 0.29 0.00 -4.53 2.55 2.88 -1.26 -4.67 113.62 108.88 3i9d n SER 233 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 3i9d n SER 233 Cb 0.12 -0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 62.75 3i9d n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i9d n PRO 234 N -0.95 1.13 0.05 -1.46 -0.04 -1.26 -4.74 135.00 127.73 3i9d n PRO 234 Ca 0.00 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3i9d n PRO 234 Cb 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 3i9d n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i9d n SER 235 N 12.99 0.50 -3.24 3.54 3.41 -1.26 -4.80 113.62 124.76 3i9d n SER 235 Ca 0.40 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.94 3i9d n SER 235 Cb 0.39 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 3i9d n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3i9d n TYR 236 N -3.28 1.17 0.00 7.33 4.02 -1.26 -4.71 117.16 120.43 3i9d n TYR 236 Ca 0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 57.90 56.26 3i9d n TYR 236 Cb 0.12 -1.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.99 3i9d n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i9d n ALA 237 N 5.11 0.00 -1.18 -0.72 0.00 -1.26 -4.53 120.51 117.92 3i9d n ALA 237 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 3i9d n ALA 237 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 3i9d n ALA 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i9d n LEU 238 N 0.00 6.45 -4.30 0.00 7.94 -1.26 -4.97 117.00 120.86 3i9d n LEU 238 Ca 0.00 -3.67 -0.57 0.00 -1.11 0.00 0.00 56.01 50.65 3i9d n LEU 238 Cb 0.00 -1.15 -0.11 0.00 0.53 0.00 0.00 43.42 42.69 3i9d n LEU 238 CO 0.00 1.48 1.75 0.52 -1.11 0.00 0.00 177.39 180.03 3i9d n VAL 239 N 0.64 0.05 0.00 1.96 0.31 -1.26 -5.15 118.33 114.89 3i9d n VAL 239 Ca 0.40 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3i9d n VAL 239 Cb 0.58 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 3i9d n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51