#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib3 n LEU 5 N 0.00 2.09 0.11 2.41 4.77 -1.26 -3.25 117.00 121.86 3ib3 n LEU 5 Ca 0.00 -0.86 0.13 0.00 -0.03 0.00 0.00 56.01 55.25 3ib3 n LEU 5 Cb 0.00 -0.12 0.36 0.00 -2.33 0.00 0.00 43.42 41.32 3ib3 n LEU 5 CO 0.00 0.43 0.81 -0.07 -1.33 0.00 0.00 177.39 177.23 3ib3 h LEU 6 N 2.81 0.00 0.00 2.23 3.38 -1.94 -3.39 115.31 118.39 3ib3 h LEU 6 Ca 0.00 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3ib3 h LEU 6 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ib3 h LEU 6 CO 0.00 0.01 -0.03 0.61 0.09 0.00 0.00 178.44 179.12 3ib3 n GLY 7 N 1.29 -1.81 3.02 0.83 0.00 -0.99 -4.37 105.19 103.16 3ib3 n GLY 7 Ca 0.05 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 3ib3 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ib3 s ASN 8 N -3.94 4.73 0.40 1.61 3.84 0.11 -4.78 114.94 116.90 3ib3 s ASN 8 Ca 0.00 -2.43 0.28 0.00 0.21 0.00 0.00 52.86 50.92 3ib3 s ASN 8 Cb 0.00 -1.67 1.37 0.00 -0.55 0.00 0.00 41.25 40.40 3ib3 s ASN 8 CO 0.00 -0.36 1.85 1.55 -2.79 0.00 0.00 177.10 177.35 3ib3 h PRO 9 N 7.31 0.00 -0.67 0.43 0.13 -1.85 -1.62 132.00 135.72 3ib3 h PRO 9 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 3ib3 h PRO 9 Cb 0.98 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3ib3 h PRO 9 CO 0.60 0.00 0.16 -0.22 -0.23 0.00 0.00 178.00 178.31 3ib3 h LYS 10 N 0.00 1.07 -7.00 0.86 3.64 -1.96 -3.44 116.57 109.73 3ib3 h LYS 10 Ca 0.00 -0.25 -0.46 0.00 -1.27 0.00 0.00 60.65 58.67 3ib3 h LYS 10 Cb 0.18 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3ib3 h LYS 10 CO 0.00 0.94 0.37 -0.51 -2.27 0.00 0.00 179.45 177.98 3ib3 s LEU 11 N -9.48 4.06 0.13 5.20 1.43 -0.61 -5.06 118.68 114.35 3ib3 s LEU 11 Ca -0.11 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.74 3ib3 s LEU 11 Cb 0.15 -4.34 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 3ib3 s LEU 11 CO 0.84 -0.39 0.44 0.42 0.23 0.00 0.00 176.35 177.89 3ib3 s THR 12 N -1.89 5.04 0.39 5.49 -4.23 -1.26 -5.00 115.64 114.18 3ib3 s THR 12 Ca 0.59 0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 61.28 3ib3 s THR 12 Cb -0.15 -3.65 -0.09 0.00 1.34 0.00 0.00 72.50 69.95 3ib3 s THR 12 CO 0.20 0.18 1.14 -0.69 -0.54 0.00 0.00 174.62 174.90 3ib3 s VAL 13 N -1.53 3.31 0.15 2.29 1.01 -1.26 -4.66 120.40 119.71 3ib3 s VAL 13 Ca 0.38 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3ib3 s VAL 13 Cb -0.13 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 3ib3 s VAL 13 CO 0.20 0.09 0.93 -0.89 0.00 0.00 0.00 175.10 175.43 3ib3 s THR 14 N -1.45 4.38 0.03 3.92 2.01 0.00 -4.94 115.64 119.59 3ib3 s THR 14 Ca 0.56 2.02 -0.14 0.00 0.31 0.00 0.00 61.69 64.45 3ib3 s THR 14 Cb -0.29 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 3ib3 s THR 14 CO 0.36 0.39 0.43 -2.28 -0.69 0.00 0.00 174.62 172.83 3ib3 s HIS 15 N -0.43 3.70 0.44 4.92 2.46 -1.26 -4.85 115.29 120.26 3ib3 s HIS 15 Ca 0.44 0.97 0.14 0.00 0.47 0.00 0.00 55.06 57.09 3ib3 s HIS 15 Cb -0.24 -2.28 0.99 0.00 -0.13 0.00 0.00 32.58 30.92 3ib3 s HIS 15 CO 0.30 0.60 1.98 0.28 -2.47 0.00 0.00 174.74 175.43 3ib3 h VAL 16 N 3.46 1.13 -0.10 0.89 2.07 -1.96 0.19 116.25 121.93 3ib3 h VAL 16 Ca -0.51 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3ib3 h VAL 16 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3ib3 h VAL 16 CO 0.63 0.19 0.00 0.59 0.02 0.00 0.00 177.57 179.00 3ib3 n ASN 17 N -4.30 0.83 0.23 0.57 4.13 -1.26 -3.03 115.26 112.42 3ib3 n ASN 17 Ca -0.02 -1.67 0.13 0.00 1.68 0.00 0.00 54.58 54.69 3ib3 n ASN 17 Cb 0.25 -0.07 0.33 0.00 -1.54 0.00 0.00 39.78 38.76 3ib3 n ASN 17 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3ib3 h GLU 18 N 1.04 0.00 -6.02 3.52 5.08 -1.01 -3.47 114.58 113.72 3ib3 h GLU 18 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3ib3 h GLU 18 Cb 0.23 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3ib3 h GLU 18 CO 0.00 0.04 -0.08 0.14 -1.00 0.00 0.00 179.01 178.10 3ib3 s VAL 19 N -3.35 4.96 0.32 3.13 -7.23 -1.17 -5.05 120.40 112.01 3ib3 s VAL 19 Ca 0.05 1.09 0.10 0.00 -1.81 0.00 0.00 61.98 61.41 3ib3 s VAL 19 Cb 0.07 -3.85 -0.06 0.00 0.56 0.00 0.00 36.38 33.09 3ib3 s VAL 19 CO 0.63 0.46 -0.13 -0.54 -0.31 0.00 0.00 175.10 175.21 3ib3 s LYS 20 N -0.37 1.79 0.20 4.82 -0.14 -1.26 -5.08 119.74 119.69 3ib3 s LYS 20 Ca 0.28 -1.85 -0.29 0.00 -1.36 0.00 0.00 55.97 52.75 3ib3 s LYS 20 Cb -0.17 -1.75 -0.17 0.00 -1.68 0.00 0.00 37.83 34.05 3ib3 s LYS 20 CO 0.15 0.22 0.59 0.00 -0.76 0.00 0.00 175.35 175.55 3ib3 n ALA 21 N -0.74 -2.70 0.00 5.17 0.00 -1.26 -4.59 120.51 116.39 3ib3 n ALA 21 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3ib3 n ALA 21 Cb 0.62 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3ib3 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib3 n GLY 22 N 1.91 -0.05 3.67 0.00 0.00 0.65 -4.89 105.19 106.48 3ib3 n GLY 22 Ca 0.17 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3ib3 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ib3 s ILE 23 N 0.00 4.88 0.05 -0.61 -1.09 -1.26 -1.23 121.20 121.94 3ib3 s ILE 23 Ca 0.00 1.62 0.08 0.00 -2.23 0.00 0.00 60.65 60.13 3ib3 s ILE 23 Cb 0.00 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3ib3 s ILE 23 CO 0.00 0.02 -0.23 0.20 -1.23 0.00 0.00 174.94 173.70 3ib3 s ASN 24 N 1.18 3.48 -0.26 3.58 0.01 -1.26 -4.97 114.94 116.70 3ib3 s ASN 24 Ca 0.38 -0.53 -0.08 0.00 -0.71 0.00 0.00 52.86 51.92 3ib3 s ASN 24 Cb -0.16 -0.44 -0.03 0.00 0.41 0.00 0.00 41.25 41.03 3ib3 s ASN 24 CO 0.12 0.25 0.10 -1.00 -1.51 0.00 0.00 177.10 175.06 3ib3 s HIS 25 N -0.88 3.12 0.10 2.20 3.76 -1.26 -4.33 115.29 117.99 3ib3 s HIS 25 Ca 0.13 -0.30 0.06 0.00 -0.15 0.00 0.00 55.06 54.81 3ib3 s HIS 25 Cb -0.10 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 3ib3 s HIS 25 CO 0.04 -0.31 -0.16 0.96 -0.85 0.00 0.00 174.74 174.42 3ib3 s ILE 26 N 1.64 1.35 -0.41 0.60 -4.36 -1.26 -5.03 121.20 113.74 3ib3 s ILE 26 Ca 0.06 -1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 58.86 3ib3 s ILE 26 Cb -0.15 -1.34 0.06 0.00 1.25 0.00 0.00 42.46 42.27 3ib3 s ILE 26 CO 0.05 -0.23 0.25 -0.69 0.24 0.00 0.00 174.94 174.56 3ib3 s VAL 27 N -1.48 4.47 0.03 8.37 1.01 -1.26 -4.28 120.40 127.26 3ib3 s VAL 27 Ca 0.03 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 3ib3 s VAL 27 Cb -0.09 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3ib3 s VAL 27 CO 0.03 -0.40 0.73 -0.69 0.00 0.00 0.00 175.10 174.77 3ib3 s VAL 28 N 1.50 4.77 -1.15 2.92 1.01 0.15 -0.82 120.40 128.78 3ib3 s VAL 28 Ca 0.02 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 3ib3 s VAL 28 Cb -0.22 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3ib3 s VAL 28 CO 0.04 0.37 2.00 -0.90 0.00 0.00 0.00 175.10 176.61 3ib3 n ASP 29 N 2.83 3.45 -4.71 3.32 5.75 -1.26 -1.98 116.55 123.95 3ib3 n ASP 29 Ca -0.03 -2.78 -0.42 0.00 -0.01 0.00 0.00 54.79 51.55 3ib3 n ASP 29 Cb 0.50 -1.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.07 3ib3 n ASP 29 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3ib3 s SER 30 N 4.50 6.72 0.34 -1.12 0.15 -0.64 -4.00 113.70 119.66 3ib3 s SER 30 Ca 0.55 2.41 0.02 0.00 0.70 0.00 0.00 55.95 59.63 3ib3 s SER 30 Cb 0.10 -2.58 0.62 0.00 -1.71 0.00 0.00 66.02 62.45 3ib3 s SER 30 CO 0.05 -0.76 2.00 0.58 1.20 0.00 0.00 173.24 176.31 3ib3 h VAL 31 N 4.38 1.15 0.00 4.45 2.07 -1.85 -2.86 116.25 123.58 3ib3 h VAL 31 Ca -0.42 -0.30 -0.37 0.00 0.82 0.00 0.00 66.70 66.43 3ib3 h VAL 31 Cb 1.20 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3ib3 h VAL 31 CO 0.90 0.16 -2.38 0.00 0.02 0.00 0.00 177.57 176.26 3ib3 n GLN 32 N -4.44 0.73 0.00 1.57 3.00 -1.26 -4.70 117.38 112.27 3ib3 n GLN 32 Ca 0.08 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3ib3 n GLN 32 Cb 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 28.80 3ib3 n GLN 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3ib3 n TYR 33 N -2.86 0.00 -4.08 1.08 4.01 -1.25 -4.97 117.16 109.10 3ib3 n TYR 33 Ca -0.35 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 3ib3 n TYR 33 Cb 1.11 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 3ib3 n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ib3 n GLY 34 N -0.29 -0.43 3.57 2.72 0.00 -1.08 -2.34 105.19 107.34 3ib3 n GLY 34 Ca 0.00 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3ib3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ib3 s ASN 35 N -4.00 6.39 -0.20 1.61 0.01 -1.26 -1.62 114.94 115.87 3ib3 s ASN 35 Ca 0.00 -0.01 -0.04 0.00 -0.71 0.00 0.00 52.86 52.11 3ib3 s ASN 35 Cb 0.00 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 3ib3 s ASN 35 CO 0.00 -1.56 -0.05 -1.10 -1.51 0.00 0.00 177.10 172.89 3ib3 s GLN 36 N 5.11 3.45 0.55 -0.60 -1.52 -0.84 0.06 119.66 125.87 3ib3 s GLN 36 Ca 0.41 -0.60 -0.13 0.00 -1.95 0.00 0.00 55.36 53.09 3ib3 s GLN 36 Cb -0.08 -2.96 -0.06 0.00 -0.22 0.00 0.00 33.01 29.69 3ib3 s GLN 36 CO 0.23 -0.07 0.97 -1.21 -0.25 0.00 0.00 175.29 174.97 3ib3 s GLU 37 N 1.15 3.77 0.00 2.91 2.02 -1.26 0.31 118.70 127.59 3ib3 s GLU 37 Ca 0.02 0.79 0.00 0.00 0.02 0.00 0.00 54.97 55.80 3ib3 s GLU 37 Cb -0.15 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3ib3 s GLU 37 CO -0.01 -0.37 0.00 -0.89 0.02 0.00 0.00 175.26 174.01 3ib3 n ILE 39 N -2.08 0.00 -3.15 -1.63 5.41 -0.49 -4.64 119.36 112.78 3ib3 n ILE 39 Ca 0.06 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.85 3ib3 n ILE 39 Cb 0.54 -0.25 -0.01 0.00 -0.71 0.00 0.00 39.64 39.21 3ib3 n ILE 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3ib3 s GLU 41 N -1.94 0.46 -0.21 0.38 2.02 0.10 -1.13 118.70 118.38 3ib3 s GLU 41 Ca 0.00 0.62 -0.11 0.00 0.02 0.00 0.00 54.97 55.50 3ib3 s GLU 41 Cb 0.00 0.32 -0.05 0.00 0.10 0.00 0.00 34.13 34.50 3ib3 s GLU 41 CO 0.00 -0.69 0.19 0.21 0.02 0.00 0.00 175.26 174.99 3ib3 s LYS 42 N 2.87 4.15 -0.65 1.61 2.20 -0.36 -1.13 119.74 128.42 3ib3 s LYS 42 Ca 0.15 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.59 3ib3 s LYS 42 Cb -0.11 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3ib3 s LYS 42 CO -0.22 0.16 0.55 -0.25 -0.36 0.00 0.00 175.35 175.22 3ib3 n ASP 43 N 3.95 -2.41 -4.78 1.43 8.00 -0.83 -0.26 116.55 121.66 3ib3 n ASP 43 Ca -0.14 -0.32 -0.32 0.00 0.71 0.00 0.00 54.79 54.72 3ib3 n ASP 43 Cb 0.52 -2.95 0.06 0.00 -0.02 0.00 0.00 41.12 38.73 3ib3 n ASP 43 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ib3 s GLY 44 N -3.63 1.92 0.06 0.44 0.00 -0.38 -4.75 107.32 100.97 3ib3 s GLY 44 Ca 0.05 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.20 3ib3 s GLY 44 CO 0.39 0.73 -0.13 -0.51 0.00 0.00 0.00 173.10 173.57 3ib3 s THR 45 N -2.64 1.04 -0.08 0.90 -4.23 -1.26 -0.25 115.64 109.13 3ib3 s THR 45 Ca 0.64 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 3ib3 s THR 45 Cb -0.18 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.68 3ib3 s THR 45 CO 0.48 -0.17 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.62 3ib3 s VAL 46 N -1.14 0.95 0.55 2.29 1.01 0.10 -4.97 120.40 119.18 3ib3 s VAL 46 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3ib3 s VAL 46 Cb -0.09 -0.93 0.11 0.00 0.00 0.00 0.00 36.38 35.47 3ib3 s VAL 46 CO 0.02 0.33 0.75 1.21 0.00 0.00 0.00 175.10 177.41 3ib3 n GLU 47 N 4.31 -0.06 0.11 2.72 2.13 -1.26 -1.40 120.64 127.18 3ib3 n GLU 47 Ca -0.19 -1.87 -0.22 0.00 0.66 0.00 0.00 57.16 55.55 3ib3 n GLU 47 Cb 0.51 -0.55 -0.15 0.00 0.27 0.00 0.00 31.44 31.52 3ib3 n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ib3 h ARG 49 N 0.00 0.41 -0.00 5.31 3.08 -1.98 -3.48 114.38 117.73 3ib3 h ARG 49 Ca -0.25 -0.70 0.00 0.00 0.07 0.00 0.00 59.98 59.10 3ib3 h ARG 49 Cb 0.87 0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3ib3 h ARG 49 CO 0.25 1.32 -0.14 -0.40 -1.07 0.00 0.00 179.97 179.92 3ib3 n ASP 50 N -3.61 0.47 0.00 7.04 5.68 -1.26 -4.91 116.55 119.96 3ib3 n ASP 50 Ca -0.18 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 3ib3 n ASP 50 Cb 1.08 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 3ib3 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ib3 n GLY 51 N 1.32 1.70 3.74 6.12 0.00 -1.26 -5.09 105.19 111.72 3ib3 n GLY 51 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ib3 n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ib3 s GLU 52 N -0.47 4.14 -0.23 1.61 2.56 -1.26 -4.98 118.70 120.06 3ib3 s GLU 52 Ca 0.00 2.55 -0.11 0.00 0.00 0.00 0.00 54.97 57.41 3ib3 s GLU 52 Cb 0.00 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 33.03 3ib3 s GLU 52 CO 0.00 -0.64 0.19 0.15 -0.56 0.00 0.00 175.26 174.40 3ib3 s LYS 53 N 0.02 4.09 -0.03 4.30 1.02 -1.26 -4.41 119.74 123.47 3ib3 s LYS 53 Ca 0.66 -0.20 -0.07 0.00 0.02 0.00 0.00 55.97 56.38 3ib3 s LYS 53 Cb -0.48 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.25 3ib3 s LYS 53 CO 0.43 0.05 0.24 -0.51 -0.92 0.00 0.00 175.35 174.64 3ib3 s LEU 54 N 1.07 4.39 -0.07 3.17 1.02 -0.49 -4.51 118.68 123.26 3ib3 s LEU 54 Ca 0.09 0.56 -0.03 0.00 0.02 0.00 0.00 54.13 54.76 3ib3 s LEU 54 Cb -0.14 -2.49 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 3ib3 s LEU 54 CO 0.05 0.31 0.08 -0.31 0.02 0.00 0.00 176.35 176.50 3ib3 s TYR 55 N -1.20 3.37 0.09 0.29 2.02 -1.25 -0.72 117.35 119.95 3ib3 s TYR 55 Ca 0.23 0.33 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 3ib3 s TYR 55 Cb -0.13 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3ib3 s TYR 55 CO 0.13 0.60 -0.04 0.96 -1.57 0.00 0.00 175.55 175.62 3ib3 s ILE 56 N -1.05 0.50 -0.03 2.71 -4.36 0.66 -1.11 121.20 118.51 3ib3 s ILE 56 Ca 0.17 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 3ib3 s ILE 56 Cb -0.12 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 3ib3 s ILE 56 CO 0.07 -0.88 -0.09 0.20 0.24 0.00 0.00 174.94 174.47 3ib3 s ASN 57 N -3.01 4.44 -0.15 4.36 0.01 -0.50 -1.26 114.94 118.84 3ib3 s ASN 57 Ca 0.11 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 3ib3 s ASN 57 Cb 0.06 -1.02 0.02 0.00 0.41 0.00 0.00 41.25 40.72 3ib3 s ASN 57 CO -0.06 0.32 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.06 3ib3 s ILE 58 N -0.87 1.70 -0.14 0.60 1.01 -0.29 -1.21 121.20 122.01 3ib3 s ILE 58 Ca 0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 3ib3 s ILE 58 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3ib3 s ILE 58 CO 0.04 0.48 -0.08 -0.36 0.00 0.00 0.00 174.94 175.02 3ib3 s PHE 59 N 1.29 2.93 0.06 3.97 0.08 -0.07 0.03 117.98 126.27 3ib3 s PHE 59 Ca 0.02 -0.46 -0.15 0.00 0.12 0.00 0.00 56.93 56.46 3ib3 s PHE 59 Cb -0.13 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 3ib3 s PHE 59 CO -0.09 -0.12 0.33 -0.98 -0.10 0.00 0.00 175.22 174.27 3ib3 s ARG 60 N 0.37 0.87 0.48 0.44 1.70 -0.28 -1.10 118.95 121.43 3ib3 s ARG 60 Ca -0.07 -0.54 -0.23 0.00 -0.47 0.00 0.00 55.73 54.42 3ib3 s ARG 60 Cb -0.15 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 3ib3 s ARG 60 CO 0.04 -0.30 1.28 -2.14 -1.08 0.00 0.00 175.30 173.11 3ib3 s PRO 61 N -2.82 3.58 -1.43 3.89 0.02 -1.26 -1.40 135.00 135.58 3ib3 s PRO 61 Ca -0.03 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 3ib3 s PRO 61 Cb 0.00 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 32.12 3ib3 s PRO 61 CO -0.05 -0.78 2.39 -1.71 -0.33 0.00 0.00 177.00 176.52 3ib3 n ASN 62 N -0.52 6.59 -3.76 2.53 5.15 -1.26 -4.69 115.26 119.30 3ib3 n ASN 62 Ca 0.07 -2.91 -0.08 0.00 -0.60 0.00 0.00 54.58 51.07 3ib3 n ASN 62 Cb 0.45 -1.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.17 3ib3 n ASN 62 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3ib3 s LYS 63 N 1.13 1.59 0.49 1.20 -2.85 -1.26 -5.06 119.74 114.99 3ib3 s LYS 63 Ca 0.53 -0.83 -0.21 0.00 -1.00 0.00 0.00 55.97 54.46 3ib3 s LYS 63 Cb 0.15 0.57 -0.07 0.00 -2.06 0.00 0.00 37.83 36.43 3ib3 s LYS 63 CO -0.06 -0.72 1.12 0.16 0.10 0.00 0.00 175.35 175.94 3ib3 s ASP 64 N -2.88 6.06 0.00 0.03 -4.77 -1.26 -4.95 116.67 108.90 3ib3 s ASP 64 Ca 0.09 2.17 0.00 0.00 -3.30 0.00 0.00 52.55 51.51 3ib3 s ASP 64 Cb -0.04 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 3ib3 s ASP 64 CO 0.02 -0.99 0.00 0.61 0.70 0.00 0.00 175.17 175.51 3ib3 n GLY 65 N 0.20 2.91 3.52 2.12 0.00 -1.26 -5.05 105.19 107.63 3ib3 n GLY 65 Ca 0.09 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 3ib3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib3 s LYS 66 N -2.09 2.73 0.16 1.61 1.02 -1.26 -4.60 119.74 117.31 3ib3 s LYS 66 Ca 0.00 -0.62 0.09 0.00 0.02 0.00 0.00 55.97 55.46 3ib3 s LYS 66 Cb 0.00 -2.52 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3ib3 s LYS 66 CO 0.00 0.59 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.76 3ib3 s PHE 67 N -0.64 1.93 0.68 3.18 0.08 0.31 -4.62 117.98 118.90 3ib3 s PHE 67 Ca 0.09 -0.43 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 3ib3 s PHE 67 Cb -0.11 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3ib3 s PHE 67 CO 0.01 0.34 1.22 -1.25 -0.10 0.00 0.00 175.22 175.45 3ib3 s PRO 68 N -2.59 2.45 -0.12 0.24 0.04 -1.26 -1.12 135.00 132.64 3ib3 s PRO 68 Ca 0.15 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.04 3ib3 s PRO 68 Cb -0.07 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3ib3 s PRO 68 CO 0.07 -1.62 -0.19 0.08 0.04 0.00 0.00 177.00 175.38 3ib3 s VAL 69 N -1.78 2.50 0.24 -0.36 1.01 -0.32 -0.90 120.40 120.80 3ib3 s VAL 69 Ca 0.77 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.96 3ib3 s VAL 69 Cb -0.31 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3ib3 s VAL 69 CO 0.41 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 175.48 3ib3 s VAL 70 N 0.37 4.11 0.00 2.92 1.01 0.55 0.12 120.40 129.49 3ib3 s VAL 70 Ca -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.31 3ib3 s VAL 70 Cb -0.17 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3ib3 s VAL 70 CO 0.07 -0.32 0.00 -1.54 0.00 0.00 0.00 175.10 173.31 3ib3 n SER 72 N -0.94 0.00 -3.73 3.32 3.41 -0.99 -0.65 113.62 114.04 3ib3 n SER 72 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.41 3ib3 n SER 72 Cb 0.58 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.42 3ib3 n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ib3 s ALA 73 N -2.00 -0.89 0.02 7.33 0.00 -1.26 -0.34 121.76 124.61 3ib3 s ALA 73 Ca 0.00 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 3ib3 s ALA 73 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3ib3 s ALA 73 CO 0.00 -0.20 0.03 -0.40 0.00 0.00 0.00 175.76 175.19 3ib3 n ASP 74 N 3.37 -0.09 -0.10 0.00 5.68 -1.07 -4.45 116.55 119.89 3ib3 n ASP 74 Ca -0.17 -1.06 0.06 0.00 -0.50 0.00 0.00 54.79 53.12 3ib3 n ASP 74 Cb 0.56 0.15 0.08 0.00 -1.14 0.00 0.00 41.12 40.77 3ib3 n ASP 74 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3ib3 n THR 75 N -0.02 1.32 0.40 2.12 -2.24 -1.26 0.56 114.28 115.16 3ib3 n THR 75 Ca -0.00 -1.54 0.12 0.00 -2.27 0.00 0.00 64.05 60.36 3ib3 n THR 75 Cb 0.02 0.10 0.21 0.00 -2.10 0.00 0.00 70.33 68.57 3ib3 n THR 75 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3ib3 h TYR 76 N 0.00 0.00 0.00 4.78 0.05 -1.96 -3.45 116.97 116.39 3ib3 h TYR 76 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ib3 h TYR 76 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 3ib3 h TYR 76 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 3ib3 n GLY 77 N 1.23 2.99 0.21 3.88 0.00 -1.26 -4.93 105.19 107.30 3ib3 n GLY 77 Ca 0.04 -0.87 0.09 0.00 0.00 0.00 0.00 46.02 45.28 3ib3 n GLY 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ib3 h LYS 78 N 0.00 0.00 -0.69 1.61 2.10 -1.93 -3.26 116.57 114.40 3ib3 h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ib3 h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3ib3 h LYS 78 CO 0.00 0.26 0.00 -0.25 -2.00 0.00 0.00 179.45 177.46 3ib3 n ASP 79 N -3.33 3.85 -4.71 7.07 8.00 -1.26 -4.77 116.55 121.40 3ib3 n ASP 79 Ca 0.01 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.13 3ib3 n ASP 79 Cb 0.50 -0.46 0.06 0.00 -0.02 0.00 0.00 41.12 41.20 3ib3 n ASP 79 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ib3 n ASN 80 N 1.51 1.97 0.00 -2.24 3.02 -1.23 -4.99 115.26 113.30 3ib3 n ASN 80 Ca 0.23 0.85 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 3ib3 n ASN 80 Cb 0.60 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 3ib3 n ASN 80 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3ib3 n LYS 81 N -1.62 3.63 0.00 3.52 2.85 -1.26 -3.88 118.16 121.40 3ib3 n LYS 81 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3ib3 n LYS 81 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3ib3 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ib3 n GLY 88 N 5.00 1.04 0.14 2.58 0.00 -1.26 -4.86 105.19 107.82 3ib3 n GLY 88 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3ib3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ib3 h ALA 89 N 0.00 0.19 0.21 4.61 0.00 -2.05 -3.27 119.26 118.95 3ib3 h ALA 89 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.22 3ib3 h ALA 89 Cb 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ib3 h ALA 89 CO 0.00 0.16 -1.36 -0.07 0.00 0.00 0.00 179.25 177.97 3ib3 h LEU 90 N -0.06 0.71 -5.84 0.00 3.38 -2.07 -3.40 115.31 108.04 3ib3 h LEU 90 Ca 0.00 -0.93 -0.47 0.00 0.09 0.00 0.00 57.88 56.57 3ib3 h LEU 90 Cb 0.82 -0.23 -0.33 0.00 0.09 0.00 0.00 40.66 41.02 3ib3 h LEU 90 CO 0.05 1.65 -0.92 1.87 0.09 0.00 0.00 178.44 181.18 3ib3 n TRP 91 N -3.81 -1.33 0.29 1.13 -0.00 -1.26 -4.84 117.44 107.61 3ib3 n TRP 91 Ca -0.18 -2.99 0.17 0.00 -0.00 0.00 0.00 57.50 54.51 3ib3 n TRP 91 Cb 1.03 0.30 0.88 0.00 -0.00 0.00 0.00 31.31 33.51 3ib3 n TRP 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3ib3 h PRO 92 N 4.52 0.00 -0.06 5.87 0.13 -1.78 -2.37 132.00 138.32 3ib3 h PRO 92 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ib3 h PRO 92 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3ib3 h PRO 92 CO 0.37 0.04 0.00 0.25 -0.23 0.00 0.00 178.00 178.44 3ib3 n THR 93 N -3.29 0.06 0.33 1.56 -2.24 -1.26 -3.88 114.28 105.55 3ib3 n THR 93 Ca -0.01 -0.25 0.22 0.00 -2.27 0.00 0.00 64.05 61.73 3ib3 n THR 93 Cb 0.21 0.38 1.12 0.00 -2.10 0.00 0.00 70.33 69.94 3ib3 n THR 93 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ib3 h LEU 94 N 2.10 0.00 0.00 3.22 3.38 -1.73 -3.47 115.31 118.81 3ib3 h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ib3 h LEU 94 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ib3 h LEU 94 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3ib3 n GLY 95 N -0.91 -0.93 3.48 0.83 0.00 -1.25 -4.38 105.19 102.03 3ib3 n GLY 95 Ca -0.02 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3ib3 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ib3 s THR 96 N 0.00 4.64 -0.44 2.61 2.01 -1.26 -4.96 115.64 118.23 3ib3 s THR 96 Ca 0.00 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3ib3 s THR 96 Cb 0.00 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.42 3ib3 s THR 96 CO 0.00 0.26 0.24 -0.63 -0.69 0.00 0.00 174.62 173.80 3ib3 s ILE 97 N 1.65 1.38 -0.16 1.82 1.01 -1.26 -4.43 121.20 121.20 3ib3 s ILE 97 Ca 0.06 -2.56 -0.20 0.00 0.00 0.00 0.00 60.65 57.95 3ib3 s ILE 97 Cb -0.16 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3ib3 s ILE 97 CO 0.06 -0.91 0.59 -2.16 0.00 0.00 0.00 174.94 172.52 3ib3 s PRO 98 N 0.34 4.27 0.14 2.79 0.04 -1.26 -5.03 135.00 136.28 3ib3 s PRO 98 Ca 0.18 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 61.70 3ib3 s PRO 98 Cb -0.23 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3ib3 s PRO 98 CO -0.00 -0.10 0.29 0.95 0.04 0.00 0.00 177.00 178.18 3ib3 s THR 99 N 1.43 0.08 1.29 1.26 -4.23 -1.26 -4.94 115.64 109.28 3ib3 s THR 99 Ca 0.29 -1.19 -0.22 0.00 -1.18 0.00 0.00 61.69 59.39 3ib3 s THR 99 Cb -0.16 -1.61 0.33 0.00 1.34 0.00 0.00 72.50 72.40 3ib3 s THR 99 CO 0.11 -0.38 1.04 -1.54 -0.54 0.00 0.00 174.62 173.30 3ib3 n SER 100 N -0.18 -2.63 -0.00 3.99 3.41 -1.26 -4.84 113.62 112.11 3ib3 n SER 100 Ca -0.11 -1.10 0.15 0.00 -0.26 0.00 0.00 58.87 57.56 3ib3 n SER 100 Cb 0.63 -1.00 0.80 0.00 -0.26 0.00 0.00 64.21 64.37 3ib3 n SER 100 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ib3 n SER 101 N -5.12 0.00 -1.31 4.04 7.64 -1.26 -3.86 113.62 113.75 3ib3 n SER 101 Ca 0.15 -0.32 -0.08 0.00 1.01 0.00 0.00 58.87 59.63 3ib3 n SER 101 Cb 0.59 -0.23 0.19 0.00 -1.01 0.00 0.00 64.21 63.75 3ib3 n SER 101 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ib3 n PHE 102 N -1.22 1.35 -3.85 1.43 3.72 -1.26 -4.81 117.46 112.82 3ib3 n PHE 102 Ca 0.16 -1.71 -0.30 0.00 -0.05 0.00 0.00 57.45 55.55 3ib3 n PHE 102 Cb 0.22 -0.54 -0.15 0.00 -0.94 0.00 0.00 39.48 38.07 3ib3 n PHE 102 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3ib3 s THR 103 N -3.38 1.60 0.99 4.37 2.01 -1.25 -4.56 115.64 115.41 3ib3 s THR 103 Ca 0.46 -2.08 -0.12 0.00 0.31 0.00 0.00 61.69 60.26 3ib3 s THR 103 Cb 0.42 -2.18 0.18 0.00 0.01 0.00 0.00 72.50 70.93 3ib3 s THR 103 CO 0.00 -0.69 1.09 -2.84 -0.69 0.00 0.00 174.62 171.48 3ib3 s PRO 104 N 1.00 0.49 -0.09 4.92 0.02 -1.25 -4.82 135.00 135.27 3ib3 s PRO 104 Ca 0.12 1.01 -0.30 0.00 0.02 0.00 0.00 61.00 61.86 3ib3 s PRO 104 Cb -0.20 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 3ib3 s PRO 104 CO -0.13 -2.82 1.35 -1.21 -0.33 0.00 0.00 177.00 173.86 3ib3 s GLU 105 N -4.71 4.26 0.00 5.54 8.01 -1.26 -1.72 118.70 128.82 3ib3 s GLU 105 Ca 0.66 1.83 0.00 0.00 0.01 0.00 0.00 54.97 57.46 3ib3 s GLU 105 Cb -0.21 -3.72 0.00 0.00 -4.31 0.00 0.00 34.13 25.89 3ib3 s GLU 105 CO 0.60 -0.65 0.00 0.39 0.01 0.00 0.00 175.26 175.60 3ib3 n GLU 106 N 6.15 0.00 -3.07 1.61 4.71 -1.26 -4.92 120.64 123.86 3ib3 n GLU 106 Ca 0.14 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 57.03 3ib3 n GLU 106 Cb 0.44 -1.88 -0.01 0.00 -1.01 0.00 0.00 31.44 28.99 3ib3 n GLU 106 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3ib3 s SER 107 N -2.63 6.28 0.21 1.62 0.01 -0.70 -1.57 113.70 116.92 3ib3 s SER 107 Ca 0.00 0.64 -0.32 0.00 1.31 0.00 0.00 55.95 57.58 3ib3 s SER 107 Cb 0.00 -2.11 -0.12 0.00 0.21 0.00 0.00 66.02 63.99 3ib3 s SER 107 CO 0.00 -0.42 1.70 -2.65 0.41 0.00 0.00 173.24 172.28 3ib3 n PRO 108 N -1.98 2.69 -2.70 12.44 -0.02 -1.26 -4.86 135.00 139.31 3ib3 n PRO 108 Ca -0.03 0.97 -0.43 0.00 -2.02 0.00 0.00 63.50 62.00 3ib3 n PRO 108 Cb 0.56 -2.80 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3ib3 n PRO 108 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ib3 s ASP 109 N 1.10 6.82 0.59 2.55 -1.08 -1.26 -4.89 116.67 120.50 3ib3 s ASP 109 Ca 0.75 0.85 0.32 0.00 -0.52 0.00 0.00 52.55 53.94 3ib3 s ASP 109 Cb -0.53 -2.51 1.87 0.00 -1.46 0.00 0.00 42.92 40.29 3ib3 s ASP 109 CO 0.34 -0.89 2.25 1.55 0.52 0.00 0.00 175.17 178.94 3ib3 h PRO 110 N 8.30 0.00 0.00 4.34 0.13 -1.92 0.06 132.00 142.92 3ib3 h PRO 110 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3ib3 h PRO 110 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ib3 h PRO 110 CO 1.02 0.01 0.00 0.78 -0.23 0.00 0.00 178.00 179.58 3ib3 h GLY 111 N 0.12 0.00 0.01 1.56 0.00 -1.91 -1.65 103.07 101.19 3ib3 h GLY 111 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 3ib3 h GLY 111 CO 0.00 0.00 -2.35 0.33 0.00 0.00 0.00 176.54 174.52 3ib3 n PHE 112 N -2.59 0.17 0.01 5.60 7.35 -0.06 -4.61 117.46 123.34 3ib3 n PHE 112 Ca -0.00 0.07 -0.19 0.00 -0.76 0.00 0.00 57.45 56.57 3ib3 n PHE 112 Cb 0.16 -1.02 -0.14 0.00 0.35 0.00 0.00 39.48 38.83 3ib3 n PHE 112 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3ib3 h TRP 113 N -0.91 0.39 -0.72 -5.13 4.06 -1.35 -3.34 115.95 108.94 3ib3 h TRP 113 Ca -0.64 -0.28 -0.05 0.00 2.06 0.00 0.00 58.89 59.98 3ib3 h TRP 113 Cb 1.60 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 29.71 3ib3 h TRP 113 CO -0.05 1.25 0.25 0.28 -3.56 0.00 0.00 178.44 176.61 3ib3 h VAL 114 N -0.54 1.25 0.00 1.49 2.07 -1.42 -1.55 116.25 117.55 3ib3 h VAL 114 Ca -0.12 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3ib3 h VAL 114 Cb 1.48 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3ib3 h VAL 114 CO 0.10 0.34 0.00 -2.65 0.02 0.00 0.00 177.57 175.38 3ib3 n PRO 115 N -4.27 0.00 -0.72 1.57 -0.02 -1.26 -1.42 135.00 128.88 3ib3 n PRO 115 Ca 0.06 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3ib3 n PRO 115 Cb 0.21 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.45 3ib3 n PRO 115 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ib3 n ASN 116 N -1.50 4.30 -3.37 2.55 3.02 -0.60 -4.93 115.26 114.73 3ib3 n ASN 116 Ca 0.03 -2.80 -0.19 0.00 -0.03 0.00 0.00 54.58 51.60 3ib3 n ASN 116 Cb 0.16 -0.66 0.08 0.00 -0.61 0.00 0.00 39.78 38.75 3ib3 n ASN 116 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ib3 n ASP 117 N 0.20 -3.58 -4.48 6.41 8.00 -0.51 -5.06 116.55 117.53 3ib3 n ASP 117 Ca 0.26 -0.56 -0.29 0.00 0.71 0.00 0.00 54.79 54.90 3ib3 n ASP 117 Cb 1.04 -4.88 -0.11 0.00 -0.02 0.00 0.00 41.12 37.15 3ib3 n ASP 117 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ib3 s TYR 118 N -3.33 2.53 0.19 1.24 2.02 -1.13 -4.40 117.35 114.47 3ib3 s TYR 118 Ca 0.21 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.45 3ib3 s TYR 118 Cb -0.09 -1.35 -0.08 0.00 -0.40 0.00 0.00 41.96 40.04 3ib3 s TYR 118 CO 0.70 0.38 0.69 0.08 -1.57 0.00 0.00 175.55 175.82 3ib3 s VAL 119 N -1.13 4.62 -0.14 0.71 1.01 -0.07 -3.95 120.40 121.44 3ib3 s VAL 119 Ca 0.18 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3ib3 s VAL 119 Cb -0.11 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3ib3 s VAL 119 CO 0.10 0.26 -0.15 -0.69 0.00 0.00 0.00 175.10 174.62 3ib3 s VAL 120 N -1.46 2.81 -0.14 2.92 1.01 -0.26 -0.33 120.40 124.97 3ib3 s VAL 120 Ca 0.41 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 3ib3 s VAL 120 Cb -0.17 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3ib3 s VAL 120 CO 0.21 0.52 -0.12 -0.69 0.00 0.00 0.00 175.10 175.03 3ib3 s VAL 121 N 0.52 3.17 -0.25 2.92 1.01 0.18 -0.89 120.40 127.07 3ib3 s VAL 121 Ca -0.10 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3ib3 s VAL 121 Cb -0.16 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3ib3 s VAL 121 CO 0.04 0.52 -0.04 -0.75 0.00 0.00 0.00 175.10 174.87 3ib3 s LYS 122 N 0.37 3.05 -0.23 2.72 2.47 -0.35 -2.34 119.74 125.44 3ib3 s LYS 122 Ca -0.10 -0.85 -0.06 0.00 -1.56 0.00 0.00 55.97 53.41 3ib3 s LYS 122 Cb -0.16 -3.05 -0.03 0.00 -1.46 0.00 0.00 37.83 33.14 3ib3 s LYS 122 CO 0.05 -0.34 0.03 0.08 0.16 0.00 0.00 175.35 175.33 3ib3 s VAL 123 N 1.40 4.10 -0.44 4.02 1.01 0.54 -1.41 120.40 129.61 3ib3 s VAL 123 Ca 0.02 -0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3ib3 s VAL 123 Cb -0.16 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3ib3 s VAL 123 CO -0.03 0.38 0.82 0.00 0.00 0.00 0.00 175.10 176.27 3ib3 s ALA 124 N 1.34 3.30 1.07 5.51 0.00 -0.27 -2.61 121.76 130.09 3ib3 s ALA 124 Ca 0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 3ib3 s ALA 124 Cb -0.15 -3.50 0.23 0.00 0.00 0.00 0.00 23.12 19.70 3ib3 s ALA 124 CO 0.02 -1.89 1.17 -0.51 0.00 0.00 0.00 175.76 174.55 3ib3 s LEU 125 N 3.38 1.57 0.22 0.00 1.43 0.19 -3.78 118.68 121.69 3ib3 s LEU 125 Ca 0.32 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 3ib3 s LEU 125 Cb -0.12 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.40 3ib3 s LEU 125 CO 0.23 -3.37 1.59 -0.60 0.23 0.00 0.00 176.35 174.43 3ib3 s ARG 126 N -5.49 4.18 0.00 1.70 3.52 -1.26 -1.22 118.95 120.39 3ib3 s ARG 126 Ca 0.70 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.76 3ib3 s ARG 126 Cb -0.10 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3ib3 s ARG 126 CO 0.55 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3ib3 n GLY 127 N 3.17 0.82 3.72 8.12 0.00 -1.23 -4.19 105.19 115.59 3ib3 n GLY 127 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3ib3 n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ib3 s SER 128 N -2.99 4.57 1.07 1.61 1.04 -0.36 -4.74 113.70 113.91 3ib3 s SER 128 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3ib3 s SER 128 Cb 0.00 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.46 3ib3 s SER 128 CO 0.00 -0.33 0.00 -0.67 0.98 0.00 0.00 173.24 173.22 3ib3 n ASP 129 N -1.13 0.00 -0.85 7.02 2.03 -1.26 -1.67 116.55 120.69 3ib3 n ASP 129 Ca -0.03 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.37 3ib3 n ASP 129 Cb 0.62 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.27 3ib3 n ASP 129 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ib3 n LYS 130 N 14.00 2.08 -2.99 -0.67 5.02 -1.26 -4.77 118.16 129.58 3ib3 n LYS 130 Ca 0.00 -1.67 -0.40 0.00 -2.02 0.00 0.00 58.31 54.22 3ib3 n LYS 130 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 3ib3 n LYS 130 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ib3 s SER 131 N -1.22 7.01 -0.24 4.39 0.15 -0.67 -4.97 113.70 118.15 3ib3 s SER 131 Ca 0.33 1.22 0.12 0.00 0.70 0.00 0.00 55.95 58.32 3ib3 s SER 131 Cb 0.18 -2.43 0.48 0.00 -1.71 0.00 0.00 66.02 62.53 3ib3 s SER 131 CO 0.25 -0.19 1.39 0.29 1.20 0.00 0.00 173.24 176.17 3ib3 n LYS 132 N 4.12 1.93 -0.64 5.44 4.76 -1.26 -3.09 118.16 129.42 3ib3 n LYS 132 Ca 0.01 -3.09 -0.11 0.00 -2.87 0.00 0.00 58.31 52.25 3ib3 n LYS 132 Cb 0.51 -1.76 0.08 0.00 -1.84 0.00 0.00 35.03 32.02 3ib3 n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ib3 n GLY 133 N -1.05 -1.49 3.70 0.72 0.00 -1.26 -4.68 105.19 101.13 3ib3 n GLY 133 Ca 0.27 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3ib3 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ib3 s VAL 134 N -2.00 2.43 -0.51 1.61 1.01 -1.26 -3.96 120.40 117.72 3ib3 s VAL 134 Ca 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3ib3 s VAL 134 Cb -0.01 -3.02 0.13 0.00 0.00 0.00 0.00 36.38 33.49 3ib3 s VAL 134 CO 0.19 0.00 0.37 -0.22 0.00 0.00 0.00 175.10 175.44 3ib3 s LEU 135 N 2.51 5.66 -0.57 3.92 0.20 -0.91 -4.12 118.68 125.36 3ib3 s LEU 135 Ca 0.80 -2.12 0.03 0.00 0.69 0.00 0.00 54.13 53.53 3ib3 s LEU 135 Cb -0.47 -1.98 0.14 0.00 -0.43 0.00 0.00 46.19 43.46 3ib3 s LEU 135 CO 0.36 -0.62 0.34 -0.55 -0.29 0.00 0.00 176.35 175.58 3ib3 s SER 136 N 2.24 4.56 0.50 3.68 0.15 -1.26 -0.97 113.70 122.60 3ib3 s SER 136 Ca 0.09 -3.15 -0.23 0.00 0.70 0.00 0.00 55.95 53.36 3ib3 s SER 136 Cb -0.24 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.33 3ib3 s SER 136 CO -0.02 -0.22 1.31 -2.65 1.20 0.00 0.00 173.24 172.85 3ib3 n PRO 137 N 2.95 1.79 -3.68 5.44 -0.02 -1.26 -3.49 135.00 136.73 3ib3 n PRO 137 Ca 0.08 0.65 -0.23 0.00 -2.02 0.00 0.00 63.50 61.98 3ib3 n PRO 137 Cb 0.33 -2.49 0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3ib3 n PRO 137 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3ib3 n TRP 138 N -0.70 -1.93 -4.50 6.00 8.01 -1.26 -4.98 117.44 118.09 3ib3 n TRP 138 Ca 0.09 0.77 -0.24 0.00 -1.31 0.00 0.00 57.50 56.81 3ib3 n TRP 138 Cb 0.43 -4.16 -0.09 0.00 -2.01 0.00 0.00 31.31 25.47 3ib3 n TRP 138 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3ib3 s SER 139 N -4.15 2.67 0.26 -0.99 1.04 -1.23 -4.79 113.70 106.52 3ib3 s SER 139 Ca 0.11 -1.51 0.09 0.00 0.48 0.00 0.00 55.95 55.13 3ib3 s SER 139 Cb -0.03 0.17 0.32 0.00 0.10 0.00 0.00 66.02 66.58 3ib3 s SER 139 CO 0.82 -0.74 1.59 0.50 0.98 0.00 0.00 173.24 176.39 3ib3 h LYS 140 N 1.93 0.04 -0.35 4.02 3.64 -1.91 -2.83 116.57 121.11 3ib3 h LYS 140 Ca -0.39 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 58.84 3ib3 h LYS 140 Cb 1.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3ib3 h LYS 140 CO 0.66 0.66 -0.26 0.07 -2.27 0.00 0.00 179.45 178.30 3ib3 h ARG 141 N 0.03 0.72 -0.75 1.90 0.11 -1.96 -1.31 114.38 113.11 3ib3 h ARG 141 Ca -0.01 -0.30 -0.04 0.00 0.10 0.00 0.00 59.98 59.73 3ib3 h ARG 141 Cb 1.12 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 3ib3 h ARG 141 CO 0.08 0.90 0.31 1.49 0.10 0.00 0.00 179.97 182.86 3ib3 h GLU 142 N 0.62 1.11 -0.45 0.08 4.81 -1.79 -2.82 114.58 116.14 3ib3 h GLU 142 Ca 0.08 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3ib3 h GLU 142 Cb 0.76 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3ib3 h GLU 142 CO 0.06 0.89 -0.07 0.00 -0.73 0.00 0.00 179.01 179.17 3ib3 h ALA 143 N 1.25 1.04 -0.81 2.92 0.00 -1.22 -1.22 119.26 121.22 3ib3 h ALA 143 Ca 0.25 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ib3 h ALA 143 Cb 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3ib3 h ALA 143 CO -0.02 0.59 0.35 0.93 0.00 0.00 0.00 179.25 181.10 3ib3 h GLU 144 N 0.72 1.18 -0.53 0.00 5.08 -1.13 0.21 114.58 120.10 3ib3 h GLU 144 Ca 0.13 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3ib3 h GLU 144 Cb 0.53 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3ib3 h GLU 144 CO 0.03 0.93 0.34 -0.44 -1.00 0.00 0.00 179.01 178.88 3ib3 h ASP 145 N 1.16 0.59 0.07 1.42 3.32 -1.15 -2.47 116.42 119.36 3ib3 h ASP 145 Ca 0.27 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ib3 h ASP 145 Cb 0.17 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ib3 h ASP 145 CO -0.03 0.42 -0.04 0.22 -1.72 0.00 0.00 179.24 178.10 3ib3 h TYR 146 N 0.70 -0.09 -0.98 4.55 -0.00 -0.78 -2.57 116.97 117.80 3ib3 h TYR 146 Ca 0.20 -0.00 0.16 0.00 -0.00 0.00 0.00 58.73 59.09 3ib3 h TYR 146 Cb -0.05 0.03 -0.16 0.00 -0.00 0.00 0.00 36.73 36.54 3ib3 h TYR 146 CO -0.04 -0.02 -0.36 0.98 -0.00 0.00 0.00 178.16 178.72 3ib3 n TYR 147 N -5.11 0.09 0.13 -3.82 9.36 0.69 -1.56 117.16 116.92 3ib3 n TYR 147 Ca -0.08 1.20 0.03 0.00 3.32 0.00 0.00 57.90 62.37 3ib3 n TYR 147 Cb 0.08 -0.90 0.40 0.00 -0.63 0.00 0.00 39.34 38.29 3ib3 n TYR 147 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3ib3 h GLU 148 N 0.00 0.22 -0.11 2.98 5.08 -1.05 -1.49 114.58 120.21 3ib3 h GLU 148 Ca 0.36 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.45 3ib3 h GLU 148 Cb 0.61 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ib3 h GLU 148 CO -0.98 0.36 -0.82 0.28 -1.00 0.00 0.00 179.01 176.85 3ib3 h VAL 149 N 0.21 1.31 0.07 3.13 2.07 -1.03 -0.05 116.25 121.96 3ib3 h VAL 149 Ca 0.04 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.50 3ib3 h VAL 149 Cb 0.36 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3ib3 h VAL 149 CO 0.02 0.65 -0.11 0.40 0.02 0.00 0.00 177.57 178.55 3ib3 h ILE 150 N 0.45 0.74 -0.23 4.57 2.04 -1.07 0.56 117.51 124.56 3ib3 h ILE 150 Ca -0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 3ib3 h ILE 150 Cb 1.44 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3ib3 h ILE 150 CO 0.16 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.76 3ib3 h GLU 151 N -0.22 0.41 -0.01 2.37 4.39 -1.24 -2.15 114.58 118.13 3ib3 h GLU 151 Ca 0.02 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3ib3 h GLU 151 Cb 0.24 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3ib3 h GLU 151 CO -0.06 0.61 0.01 2.35 -1.16 0.00 0.00 179.01 180.76 3ib3 h TRP 152 N 0.37 0.02 -0.64 4.33 7.01 -0.62 -2.95 115.95 123.46 3ib3 h TRP 152 Ca 0.06 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.13 3ib3 h TRP 152 Cb 0.59 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.61 3ib3 h TRP 152 CO 0.02 0.04 0.43 0.00 -2.79 0.00 0.00 178.44 176.14 3ib3 h ALA 153 N 0.97 1.80 0.00 2.65 0.00 -0.53 -2.00 119.26 122.15 3ib3 h ALA 153 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ib3 h ALA 153 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ib3 h ALA 153 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.34 3ib3 n ALA 154 N -2.47 1.06 0.07 0.00 0.00 -0.84 -2.86 120.51 115.48 3ib3 n ALA 154 Ca 0.09 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.74 3ib3 n ALA 154 Cb 0.25 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.49 3ib3 n ALA 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ib3 n ASN 155 N -2.17 2.18 -4.95 0.00 3.02 -0.75 -4.07 115.26 108.54 3ib3 n ASN 155 Ca -0.01 -1.70 -0.24 0.00 -0.03 0.00 0.00 54.58 52.61 3ib3 n ASN 155 Cb 0.04 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.13 3ib3 n ASN 155 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ib3 s GLN 156 N -0.84 3.06 0.56 3.52 -1.52 -1.13 -4.99 119.66 118.32 3ib3 s GLN 156 Ca 0.13 -0.39 0.34 0.00 -1.95 0.00 0.00 55.36 53.49 3ib3 s GLN 156 Cb 0.07 -2.51 1.57 0.00 -0.22 0.00 0.00 33.01 31.93 3ib3 s GLN 156 CO 0.10 -0.34 2.07 0.66 -0.25 0.00 0.00 175.29 177.53 3ib3 h SER 157 N 0.30 0.00 -0.24 5.90 4.64 -1.96 -1.97 113.55 120.22 3ib3 h SER 157 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ib3 h SER 157 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ib3 h SER 157 CO 0.58 0.04 0.00 -2.67 -0.87 0.00 0.00 176.83 173.91 3ib3 n TRP 158 N -3.19 0.30 -4.15 4.77 4.27 -1.26 -4.62 117.44 113.56 3ib3 n TRP 158 Ca -0.01 -0.15 -0.31 0.00 -3.89 0.00 0.00 57.50 53.14 3ib3 n TRP 158 Cb 0.26 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.13 3ib3 n TRP 158 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3ib3 s SER 159 N -1.67 5.32 0.00 -0.67 0.15 -0.74 -0.53 113.70 115.56 3ib3 s SER 159 Ca 0.35 -0.02 0.21 0.00 0.70 0.00 0.00 55.95 57.19 3ib3 s SER 159 Cb 0.21 -1.40 0.32 0.00 -1.71 0.00 0.00 66.02 63.44 3ib3 s SER 159 CO 0.31 0.22 1.29 -0.46 1.20 0.00 0.00 173.24 175.80 3ib3 n ASN 160 N 0.90 3.14 0.00 5.45 6.94 -0.28 -4.48 115.26 126.93 3ib3 n ASN 160 Ca -0.12 -1.93 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 3ib3 n ASN 160 Cb 0.52 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 3ib3 n ASN 160 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ib3 n GLY 161 N 1.29 3.29 3.51 4.83 0.00 -1.26 -4.96 105.19 111.88 3ib3 n GLY 161 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3ib3 n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ib3 s ASN 162 N -0.64 6.22 -0.16 1.61 0.01 -1.26 -4.76 114.94 115.96 3ib3 s ASN 162 Ca 0.00 -0.49 -0.03 0.00 -0.71 0.00 0.00 52.86 51.63 3ib3 s ASN 162 Cb 0.00 -2.23 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 3ib3 s ASN 162 CO 0.00 -0.55 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.35 3ib3 s ILE 163 N 2.21 3.60 -0.06 0.60 -1.09 -0.95 -1.18 121.20 124.33 3ib3 s ILE 163 Ca 0.14 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3ib3 s ILE 163 Cb -0.16 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 3ib3 s ILE 163 CO 0.14 0.49 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.34 3ib3 s GLY 164 N 0.52 0.97 0.13 6.18 0.00 0.12 -1.09 107.32 114.15 3ib3 s GLY 164 Ca -0.05 -0.65 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 3ib3 s GLY 164 CO 0.03 -0.17 0.39 -0.51 0.00 0.00 0.00 173.10 172.84 3ib3 s THR 165 N 0.34 5.14 -0.21 0.90 -4.23 -1.06 -3.90 115.64 112.62 3ib3 s THR 165 Ca -0.11 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.30 3ib3 s THR 165 Cb -0.15 -3.62 0.08 0.00 1.34 0.00 0.00 72.50 70.15 3ib3 s THR 165 CO 0.04 0.10 0.75 0.21 -0.54 0.00 0.00 174.62 175.18 3ib3 s ASN 166 N -2.23 -0.68 0.00 3.99 3.84 -1.26 -1.33 114.94 117.26 3ib3 s ASN 166 Ca 0.39 1.15 0.00 0.00 0.21 0.00 0.00 52.86 54.61 3ib3 s ASN 166 Cb -0.12 1.11 0.00 0.00 -0.55 0.00 0.00 41.25 41.69 3ib3 s ASN 166 CO 0.22 -0.35 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 3ib3 n GLY 167 N 2.08 1.03 3.52 1.21 0.00 -1.17 -4.41 105.19 107.44 3ib3 n GLY 167 Ca -0.15 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 3ib3 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ib3 s VAL 168 N -1.12 3.01 0.00 1.61 1.01 -0.61 -2.01 120.40 122.29 3ib3 s VAL 168 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.47 3ib3 s VAL 168 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3ib3 s VAL 168 CO 0.00 0.05 0.00 -0.24 0.00 0.00 0.00 175.10 174.91 3ib3 n SER 169 N 0.60 0.00 -0.38 3.32 2.88 -0.91 -0.41 113.62 118.72 3ib3 n SER 169 Ca -0.14 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.70 3ib3 n SER 169 Cb 0.53 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.56 3ib3 n SER 169 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3ib3 h TYR 170 N 0.00 0.68 0.00 0.66 3.20 -1.95 1.03 116.97 120.59 3ib3 h TYR 170 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ib3 h TYR 170 Cb 0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3ib3 h TYR 170 CO 0.00 -0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.65 3ib3 n LEU 171 N -4.81 0.00 -0.12 2.82 4.32 0.45 -2.42 117.00 117.25 3ib3 n LEU 171 Ca 0.33 0.43 -0.24 0.00 -0.02 0.00 0.00 56.01 56.51 3ib3 n LEU 171 Cb 1.17 -0.43 -0.11 0.00 -1.62 0.00 0.00 43.42 42.43 3ib3 n LEU 171 CO 0.18 -0.14 -1.27 0.00 -1.22 0.00 0.00 177.39 174.94 3ib3 n ALA 172 N -1.43 1.21 -0.18 -1.18 0.00 0.34 -4.13 120.51 115.15 3ib3 n ALA 172 Ca 0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 53.44 52.49 3ib3 n ALA 172 Cb 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 19.45 19.66 3ib3 n ALA 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ib3 h VAL 173 N -0.56 0.74 -0.16 0.00 2.07 -1.06 -1.51 116.25 115.77 3ib3 h VAL 173 Ca -0.60 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3ib3 h VAL 173 Cb 1.72 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3ib3 h VAL 173 CO -0.25 0.05 0.01 0.71 0.02 0.00 0.00 177.57 178.11 3ib3 h THR 174 N 0.30 1.11 0.06 2.57 1.35 -1.71 -1.93 112.91 114.67 3ib3 h THR 174 Ca 0.27 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3ib3 h THR 174 Cb 0.35 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3ib3 h THR 174 CO -0.32 0.13 -0.03 1.56 -0.25 0.00 0.00 175.52 176.61 3ib3 h GLN 175 N 0.23 -0.08 -0.68 4.72 4.20 -1.46 -0.49 115.11 121.56 3ib3 h GLN 175 Ca 0.06 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.89 3ib3 h GLN 175 Cb 0.15 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 27.87 3ib3 h GLN 175 CO 0.00 0.13 0.23 -1.49 -0.67 0.00 0.00 178.83 177.04 3ib3 h TRP 176 N -0.29 0.39 0.77 2.96 4.06 -0.69 -1.57 115.95 121.58 3ib3 h TRP 176 Ca -0.01 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 3ib3 h TRP 176 Cb 0.26 -0.07 0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3ib3 h TRP 176 CO -0.01 0.04 -0.38 -1.49 -3.56 0.00 0.00 178.44 173.04 3ib3 h TRP 177 N 0.38 -0.99 -0.07 0.49 4.06 -1.22 -2.78 115.95 115.82 3ib3 h TRP 177 Ca 0.36 -0.02 -0.12 0.00 2.06 0.00 0.00 58.89 61.17 3ib3 h TRP 177 Cb 0.52 0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 29.00 3ib3 h TRP 177 CO -0.19 -0.61 -0.49 -0.24 -3.56 0.00 0.00 178.44 173.35 3ib3 h VAL 178 N -1.05 1.34 -0.24 1.49 3.04 -0.93 -1.57 116.25 118.34 3ib3 h VAL 178 Ca -0.11 -1.70 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 3ib3 h VAL 178 Cb 0.81 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 3ib3 h VAL 178 CO 0.17 0.50 0.11 0.00 -1.01 0.00 0.00 177.57 177.34 3ib3 h ALA 179 N 1.35 1.75 0.00 3.17 0.00 -1.34 -2.15 119.26 122.04 3ib3 h ALA 179 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ib3 h ALA 179 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ib3 h ALA 179 CO 0.07 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.19 3ib3 h SER 180 N 0.33 0.00 0.28 0.00 4.64 -0.98 -2.03 113.55 115.78 3ib3 h SER 180 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ib3 h SER 180 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ib3 h SER 180 CO -0.01 0.00 -0.35 0.18 -0.87 0.00 0.00 176.83 175.77 3ib3 n LEU 181 N -2.79 0.96 -3.72 5.97 4.77 -0.81 -4.77 117.00 116.62 3ib3 n LEU 181 Ca -0.02 -0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.44 3ib3 n LEU 181 Cb 0.11 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3ib3 n LEU 181 CO 0.18 0.19 -0.10 0.59 -1.33 0.00 0.00 177.39 176.92 3ib3 n ASN 182 N -0.84 -3.96 -4.71 -1.43 3.02 -0.76 -4.92 115.26 101.66 3ib3 n ASN 182 Ca 0.10 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.24 3ib3 n ASN 182 Cb 0.35 -3.47 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 3ib3 n ASN 182 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3ib3 n PRO 183 N -4.20 2.59 0.30 3.52 -0.02 -1.26 -4.86 135.00 131.08 3ib3 n PRO 183 Ca -0.16 0.93 0.18 0.00 -2.02 0.00 0.00 63.50 62.43 3ib3 n PRO 183 Cb 0.62 -2.75 0.96 0.00 -0.02 0.00 0.00 33.50 32.31 3ib3 n PRO 183 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ib3 h PRO 184 N 6.28 0.00 -0.21 0.52 0.11 -1.96 -1.34 132.00 135.40 3ib3 h PRO 184 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ib3 h PRO 184 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ib3 h PRO 184 CO 0.92 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 179.46 3ib3 n HIS 185 N -3.41 0.26 -2.24 0.65 8.25 -1.26 -4.80 115.22 112.66 3ib3 n HIS 185 Ca -0.02 -0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 3ib3 n HIS 185 Cb 0.14 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 3ib3 n HIS 185 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3ib3 s LEU 186 N -1.64 3.44 -0.00 2.41 2.96 -0.51 -2.25 118.68 123.09 3ib3 s LEU 186 Ca 0.32 0.61 0.22 0.00 -0.22 0.00 0.00 54.13 55.06 3ib3 s LEU 186 Cb 0.20 -3.15 -0.28 0.00 0.50 0.00 0.00 46.19 43.47 3ib3 s LEU 186 CO 0.29 -1.78 0.61 0.29 -1.32 0.00 0.00 176.35 174.45 3ib3 n LYS 187 N 8.60 0.54 -1.55 1.98 4.76 -0.25 -4.90 118.16 127.34 3ib3 n LYS 187 Ca 0.17 -0.14 -0.01 0.00 -2.87 0.00 0.00 58.31 55.46 3ib3 n LYS 187 Cb 0.49 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 3ib3 n LYS 187 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ib3 n ALA 188 N -2.13 -0.28 -2.69 7.82 0.00 -1.23 -4.13 120.51 117.87 3ib3 n ALA 188 Ca -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 3ib3 n ALA 188 Cb 0.53 0.10 0.05 0.00 0.00 0.00 0.00 19.45 20.12 3ib3 n ALA 188 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3ib3 n ILE 190 N -0.08 0.00 -2.16 0.00 5.41 -0.44 -2.56 119.36 119.52 3ib3 n ILE 190 Ca -0.01 -0.61 -0.39 0.00 1.00 0.00 0.00 62.75 62.74 3ib3 n ILE 190 Cb 0.07 0.93 -0.03 0.00 -0.71 0.00 0.00 39.64 39.90 3ib3 n ILE 190 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3ib3 s PRO 191 N 0.62 2.76 -0.91 0.38 0.04 -1.21 -3.05 135.00 133.63 3ib3 s PRO 191 Ca 0.26 0.37 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 3ib3 s PRO 191 Cb 0.15 -4.37 0.16 0.00 0.04 0.00 0.00 34.50 30.48 3ib3 s PRO 191 CO -0.11 -2.62 1.03 -0.46 0.04 0.00 0.00 177.00 174.88 3ib3 s TRP 192 N 8.31 3.33 -0.28 0.56 -0.11 -0.85 -2.82 118.94 127.08 3ib3 s TRP 192 Ca 0.60 -1.60 -0.07 0.00 1.22 0.00 0.00 56.10 56.24 3ib3 s TRP 192 Cb -0.11 -4.14 0.01 0.00 -1.50 0.00 0.00 33.47 27.73 3ib3 s TRP 192 CO 0.18 -1.33 0.26 0.39 -4.62 0.00 0.00 176.95 171.83 3ib3 n GLU 193 N 5.72 -2.08 -3.77 5.86 1.02 -0.32 -3.30 120.64 123.77 3ib3 n GLU 193 Ca 0.21 1.89 -0.14 0.00 -0.02 0.00 0.00 57.16 59.10 3ib3 n GLU 193 Cb 0.48 -4.40 -0.15 0.00 -0.02 0.00 0.00 31.44 27.35 3ib3 n GLU 193 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3ib3 s GLY 194 N -1.76 0.04 1.04 0.62 0.00 -1.26 -2.14 107.32 103.85 3ib3 s GLY 194 Ca 0.11 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 3ib3 s GLY 194 CO 0.56 0.72 1.07 0.48 0.00 0.00 0.00 173.10 175.94 3ib3 s LEU 195 N 0.97 1.66 0.00 0.66 0.05 -1.26 -2.53 118.68 118.23 3ib3 s LEU 195 Ca -0.08 1.67 0.00 0.00 0.05 0.00 0.00 54.13 55.77 3ib3 s LEU 195 Cb -0.11 -3.81 0.00 0.00 -2.05 0.00 0.00 46.19 40.22 3ib3 s LEU 195 CO -0.04 -3.57 0.60 -0.46 -0.55 0.00 0.00 176.35 172.33 3ib3 n ASN 196 N -4.51 0.00 -4.02 1.48 0.23 -1.26 -4.37 115.26 102.80 3ib3 n ASN 196 Ca 0.06 -1.30 -0.10 0.00 -0.53 0.00 0.00 54.58 52.71 3ib3 n ASN 196 Cb 0.54 -0.06 -0.07 0.00 -2.08 0.00 0.00 39.78 38.11 3ib3 n ASN 196 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ib3 s ASP 197 N -0.30 0.05 0.00 0.53 -1.08 -1.26 -0.09 116.67 114.51 3ib3 s ASP 197 Ca 0.00 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 3ib3 s ASP 197 Cb 0.00 0.45 0.00 0.00 -1.46 0.00 0.00 42.92 41.91 3ib3 s ASP 197 CO 0.00 -0.93 0.00 0.00 0.52 0.00 0.00 175.17 174.76 3ib3 n TYR 199 N -0.26 0.00 0.79 -5.34 9.36 -1.26 -2.09 117.16 118.37 3ib3 n TYR 199 Ca -0.04 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.30 3ib3 n TYR 199 Cb 0.63 0.00 0.24 0.00 -0.63 0.00 0.00 39.34 39.58 3ib3 n TYR 199 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ib3 n ARG 200 N 0.00 0.14 0.00 2.98 1.74 -1.26 -2.57 116.66 117.69 3ib3 n ARG 200 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3ib3 n ARG 200 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3ib3 n ARG 200 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ib3 n GLU 201 N -1.79 2.33 0.00 5.56 1.02 -0.89 -4.64 120.64 122.23 3ib3 n GLU 201 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3ib3 n GLU 201 Cb 0.39 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 3ib3 n GLU 201 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3ib3 n VAL 202 N -1.08 0.00 0.03 2.62 3.14 -1.26 -3.97 118.33 117.81 3ib3 n VAL 202 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 3ib3 n VAL 202 Cb 0.09 -0.17 -0.11 0.00 -1.06 0.00 0.00 33.84 32.59 3ib3 n VAL 202 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ib3 h ALA 203 N 0.00 0.08 -2.96 1.55 0.00 -1.92 -3.42 119.26 112.59 3ib3 h ALA 203 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 54.91 54.03 3ib3 h ALA 203 Cb 0.27 0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.91 3ib3 h ALA 203 CO 0.00 0.54 -0.72 -0.06 0.00 0.00 0.00 179.25 179.01 3ib3 s PHE 204 N -3.19 0.54 -0.24 0.00 0.08 -1.06 -1.04 117.98 113.07 3ib3 s PHE 204 Ca -0.11 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.38 3ib3 s PHE 204 Cb 0.05 -0.34 0.05 0.00 -0.57 0.00 0.00 43.02 42.21 3ib3 s PHE 204 CO 0.88 -0.15 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.71 3ib3 s HIS 205 N -1.77 3.08 -1.34 0.36 3.76 -0.49 -3.53 115.29 115.35 3ib3 s HIS 205 Ca -0.09 -2.10 -0.05 0.00 -0.15 0.00 0.00 55.06 52.67 3ib3 s HIS 205 Cb -0.07 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.74 3ib3 s HIS 205 CO -0.01 -0.85 0.35 0.41 -0.85 0.00 0.00 174.74 173.79 3ib3 n GLY 206 N 4.50 -0.50 2.09 -2.22 0.00 -1.25 -1.82 105.19 105.98 3ib3 n GLY 206 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ib3 n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ib3 n GLY 207 N -1.16 1.43 3.67 -0.02 0.00 -1.26 -0.25 105.19 107.61 3ib3 n GLY 207 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3ib3 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ib3 s ILE 208 N -3.06 5.06 0.28 -0.61 1.01 -0.76 -4.85 121.20 118.28 3ib3 s ILE 208 Ca 0.00 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.48 3ib3 s ILE 208 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 3ib3 s ILE 208 CO 0.00 0.17 1.34 -2.16 0.00 0.00 0.00 174.94 174.29 3ib3 s PRO 209 N 1.58 4.34 -0.39 2.79 0.04 -1.26 -1.39 135.00 140.70 3ib3 s PRO 209 Ca 0.28 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 3ib3 s PRO 209 Cb -0.16 -3.11 0.02 0.00 0.04 0.00 0.00 34.50 31.30 3ib3 s PRO 209 CO 0.11 -0.26 1.00 0.34 0.04 0.00 0.00 177.00 178.22 3ib3 s ASP 210 N -0.09 6.69 0.00 6.66 2.15 -0.21 -4.57 116.67 127.30 3ib3 s ASP 210 Ca 0.53 0.59 0.22 0.00 0.43 0.00 0.00 52.55 54.32 3ib3 s ASP 210 Cb -0.40 -2.49 0.48 0.00 -0.30 0.00 0.00 42.92 40.20 3ib3 s ASP 210 CO 0.47 -0.97 1.42 0.35 -0.17 0.00 0.00 175.17 176.28 3ib3 n THR 211 N 6.19 0.66 0.00 1.71 -2.24 0.14 -4.43 114.28 116.31 3ib3 n THR 211 Ca 0.09 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3ib3 n THR 211 Cb 0.48 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3ib3 n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ib3 n GLY 212 N 1.49 0.78 0.28 3.38 0.00 -1.23 -4.68 105.19 105.21 3ib3 n GLY 212 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3ib3 n GLY 212 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ib3 n PHE 213 N 0.00 0.24 -0.20 1.61 7.35 0.37 -0.47 117.46 126.36 3ib3 n PHE 213 Ca 0.00 0.96 0.01 0.00 -0.76 0.00 0.00 57.45 57.65 3ib3 n PHE 213 Cb 0.00 -0.93 0.11 0.00 0.35 0.00 0.00 39.48 39.02 3ib3 n PHE 213 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 3ib3 h TYR 214 N 0.00 0.23 -0.00 -5.13 3.20 -1.81 0.42 116.97 113.88 3ib3 h TYR 214 Ca 0.36 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 3ib3 h TYR 214 Cb 0.55 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3ib3 h TYR 214 CO -0.62 -0.02 -0.00 0.00 -1.64 0.00 0.00 178.16 175.88 3ib3 h ARG 215 N 0.27 0.00 -0.93 1.82 3.08 -0.98 -1.50 114.38 116.15 3ib3 h ARG 215 Ca 0.32 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.48 3ib3 h ARG 215 Cb 0.47 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 3ib3 h ARG 215 CO -0.40 0.63 -0.46 0.34 -1.07 0.00 0.00 179.97 179.01 3ib3 n PHE 216 N -4.79 -0.22 -0.14 3.04 7.35 -0.61 0.47 117.46 122.57 3ib3 n PHE 216 Ca -0.09 1.15 -0.10 0.00 -0.76 0.00 0.00 57.45 57.65 3ib3 n PHE 216 Cb 0.31 -0.69 -0.01 0.00 0.35 0.00 0.00 39.48 39.44 3ib3 n PHE 216 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3ib3 h TRP 217 N 0.00 0.72 -0.30 -5.13 7.01 -0.07 0.17 115.95 118.35 3ib3 h TRP 217 Ca 0.22 -0.11 -0.14 0.00 2.11 0.00 0.00 58.89 60.97 3ib3 h TRP 217 Cb 0.46 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.32 3ib3 h TRP 217 CO -0.89 0.73 -0.37 0.00 -2.79 0.00 0.00 178.44 175.11 3ib3 h THR 218 N 0.51 1.29 -0.34 2.65 1.03 -0.61 -2.22 112.91 115.22 3ib3 h THR 218 Ca 0.12 -1.56 -0.03 0.00 -0.01 0.00 0.00 66.41 64.93 3ib3 h THR 218 Cb 0.41 1.59 -0.02 0.00 -1.07 0.00 0.00 68.15 69.06 3ib3 h THR 218 CO 0.01 0.50 0.09 1.56 -0.01 0.00 0.00 175.52 177.68 3ib3 h GLN 219 N 0.54 0.50 -0.46 0.00 4.20 0.13 -2.21 115.11 117.81 3ib3 h GLN 219 Ca 0.04 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3ib3 h GLN 219 Cb 0.96 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3ib3 h GLN 219 CO 0.09 0.45 0.04 0.78 -0.67 0.00 0.00 178.83 179.52 3ib3 h GLY 220 N 0.71 0.79 1.01 3.46 0.00 -0.20 -1.42 103.07 107.42 3ib3 h GLY 220 Ca 0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 3ib3 h GLY 220 CO -0.01 0.46 -0.12 -2.22 0.00 0.00 0.00 176.54 174.65 3ib3 h ILE 221 N 0.70 1.27 -0.01 2.60 2.04 -0.82 -2.46 117.51 120.83 3ib3 h ILE 221 Ca 0.15 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3ib3 h ILE 221 Cb 0.37 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3ib3 h ILE 221 CO 0.01 0.42 -0.07 -0.26 0.00 0.00 0.00 178.15 178.25 3ib3 h PHE 222 N 0.66 -0.17 0.00 1.37 0.04 -1.13 -2.78 116.94 114.93 3ib3 h PHE 222 Ca 0.11 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3ib3 h PHE 222 Cb 0.66 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 3ib3 h PHE 222 CO 0.05 -0.11 -0.09 0.00 -0.60 0.00 0.00 178.31 177.56 3ib3 h ALA 223 N 0.88 1.47 -0.08 2.45 0.00 -1.22 -3.06 119.26 119.71 3ib3 h ALA 223 Ca 0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3ib3 h ALA 223 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ib3 h ALA 223 CO -0.08 0.11 -0.81 -0.09 0.00 0.00 0.00 179.25 178.38 3ib3 h ARG 224 N 0.00 0.53 -2.19 0.00 9.65 -1.15 -3.37 114.38 117.84 3ib3 h ARG 224 Ca -0.00 -0.47 -0.60 0.00 -1.10 0.00 0.00 59.98 57.81 3ib3 h ARG 224 Cb 0.21 0.11 -0.42 0.00 -1.39 0.00 0.00 29.97 28.48 3ib3 h ARG 224 CO 0.01 1.10 -0.63 0.91 2.80 0.00 0.00 179.97 184.17 3ib3 n TRP 225 N -3.84 3.38 0.10 2.20 7.02 -1.16 -4.93 117.44 120.21 3ib3 n TRP 225 Ca -0.06 -4.12 -0.03 0.00 -1.02 0.00 0.00 57.50 52.27 3ib3 n TRP 225 Cb 0.76 -0.55 0.18 0.00 -2.42 0.00 0.00 31.31 29.28 3ib3 n TRP 225 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ib3 h THR 226 N 3.12 1.36 0.00 -0.99 1.03 -1.74 -1.84 112.91 113.84 3ib3 h THR 226 Ca 0.19 -1.78 0.00 0.00 -0.01 0.00 0.00 66.41 64.81 3ib3 h THR 226 Cb 0.68 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 3ib3 h THR 226 CO 0.81 0.53 0.00 -0.90 -0.01 0.00 0.00 175.52 175.95 3ib3 n ASP 227 N -3.94 0.00 -4.53 0.00 5.75 -1.26 -4.72 116.55 107.86 3ib3 n ASP 227 Ca -0.02 -0.37 -0.43 0.00 -0.01 0.00 0.00 54.79 53.97 3ib3 n ASP 227 Cb 0.55 -0.15 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 3ib3 n ASP 227 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3ib3 s ASN 228 N -2.31 6.34 0.00 -1.12 3.84 -0.69 -4.93 114.94 116.06 3ib3 s ASN 228 Ca 0.28 -0.24 0.23 0.00 0.21 0.00 0.00 52.86 53.35 3ib3 s ASN 228 Cb 0.16 -2.31 1.12 0.00 -0.55 0.00 0.00 41.25 39.67 3ib3 s ASN 228 CO 0.32 -0.71 1.75 -0.81 -2.79 0.00 0.00 177.10 174.86 3ib3 n PRO 229 N 6.15 1.33 -0.45 0.43 -0.04 -1.26 -4.10 135.00 137.07 3ib3 n PRO 229 Ca -0.02 -0.50 0.05 0.00 -0.04 0.00 0.00 63.50 63.00 3ib3 n PRO 229 Cb 0.48 -1.39 0.21 0.00 -0.04 0.00 0.00 33.50 32.76 3ib3 n PRO 229 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ib3 n ASN 230 N -0.32 2.85 -4.70 3.54 3.02 -1.26 -5.00 115.26 113.39 3ib3 n ASN 230 Ca 0.17 -3.33 -0.41 0.00 -0.03 0.00 0.00 54.58 50.97 3ib3 n ASN 230 Cb 0.20 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 3ib3 n ASN 230 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ib3 s ILE 231 N -3.00 4.90 0.21 2.41 1.01 -1.26 -2.15 121.20 123.33 3ib3 s ILE 231 Ca 0.40 1.84 -0.32 0.00 0.00 0.00 0.00 60.65 62.57 3ib3 s ILE 231 Cb 0.34 -4.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.46 3ib3 s ILE 231 CO 0.03 0.14 1.64 1.21 0.00 0.00 0.00 174.94 177.96 3ib3 n GLU 232 N 4.26 2.53 -2.54 2.79 2.13 -0.14 -4.91 120.64 124.76 3ib3 n GLU 232 Ca 0.04 0.91 -0.41 0.00 0.66 0.00 0.00 57.16 58.36 3ib3 n GLU 232 Cb 0.50 -2.71 -0.01 0.00 0.27 0.00 0.00 31.44 29.49 3ib3 n GLU 232 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ib3 s ASP 233 N 0.93 6.62 0.49 4.31 -1.08 -1.26 -4.81 116.67 121.87 3ib3 s ASP 233 Ca 0.74 -2.09 0.28 0.00 -0.52 0.00 0.00 52.55 50.96 3ib3 s ASP 233 Cb -0.56 -2.58 0.83 0.00 -1.46 0.00 0.00 42.92 39.15 3ib3 s ASP 233 CO 0.37 -1.40 1.79 -0.07 0.52 0.00 0.00 175.17 176.39 3ib3 h LEU 234 N 13.01 0.00 -0.02 -1.34 3.38 -1.95 -2.11 115.31 126.29 3ib3 h LEU 234 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 3ib3 h LEU 234 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3ib3 h LEU 234 CO 1.43 0.00 0.01 0.40 0.09 0.00 0.00 178.44 180.38 3ib3 h ILE 235 N 0.00 1.07 -0.48 1.22 1.08 -1.96 -1.55 117.51 116.90 3ib3 h ILE 235 Ca -0.00 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3ib3 h ILE 235 Cb 0.77 1.18 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 3ib3 h ILE 235 CO 0.00 0.06 0.19 -0.61 -0.69 0.00 0.00 178.15 177.10 3ib3 h GLN 236 N -0.06 0.71 -0.60 2.37 4.15 -1.94 -2.59 115.11 117.16 3ib3 h GLN 236 Ca 0.01 -0.13 0.11 0.00 0.77 0.00 0.00 58.65 59.41 3ib3 h GLN 236 Cb 0.09 -0.12 -0.12 0.00 0.21 0.00 0.00 27.48 27.54 3ib3 h GLN 236 CO -0.00 0.64 -0.32 0.00 -1.93 0.00 0.00 178.83 177.22 3ib3 h ALA 237 N 1.04 0.00 -0.85 3.38 0.00 -1.19 0.12 119.26 121.76 3ib3 h ALA 237 Ca 0.16 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.31 3ib3 h ALA 237 Cb 0.19 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3ib3 h ALA 237 CO -0.01 -0.65 0.52 0.37 0.00 0.00 0.00 179.25 179.47 3ib3 h GLN 238 N -0.15 0.92 -0.22 0.00 4.15 -1.12 -0.01 115.11 118.69 3ib3 h GLN 238 Ca 0.24 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 3ib3 h GLN 238 Cb 0.55 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 3ib3 h GLN 238 CO -0.69 0.61 -0.34 1.96 -1.93 0.00 0.00 178.83 178.45 3ib3 h GLN 239 N 0.95 0.46 0.00 1.69 4.20 -0.74 -3.23 115.11 118.43 3ib3 h GLN 239 Ca 0.37 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3ib3 h GLN 239 Cb 0.18 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3ib3 h GLN 239 CO -0.18 0.74 -0.96 0.93 -0.67 0.00 0.00 178.83 178.69 3ib3 h GLU 240 N 0.39 0.00 -2.51 1.46 5.08 -0.33 -3.42 114.58 115.24 3ib3 h GLU 240 Ca 0.05 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.81 3ib3 h GLU 240 Cb 0.78 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.63 3ib3 h GLU 240 CO 0.06 0.03 -0.80 0.72 -1.00 0.00 0.00 179.01 178.02 3ib3 n HIS 241 N -2.73 1.32 1.25 4.33 8.25 -0.06 -4.92 115.22 122.66 3ib3 n HIS 241 Ca -0.01 -3.83 0.14 0.00 -0.26 0.00 0.00 57.72 53.77 3ib3 n HIS 241 Cb 0.58 -0.27 0.62 0.00 1.12 0.00 0.00 29.99 32.03 3ib3 n HIS 241 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ib3 n PRO 242 N 1.97 0.34 -4.46 -0.41 -0.04 -1.26 -4.78 135.00 126.36 3ib3 n PRO 242 Ca 0.25 -0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 63.40 3ib3 n PRO 242 Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.30 3ib3 n PRO 242 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ib3 s LEU 243 N -2.71 2.69 -0.70 1.53 1.43 -1.26 -5.00 118.68 114.66 3ib3 s LEU 243 Ca 0.23 -1.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 3ib3 s LEU 243 Cb 0.20 -1.17 -0.17 0.00 0.03 0.00 0.00 46.19 45.08 3ib3 s LEU 243 CO 0.51 -0.01 1.90 0.33 0.23 0.00 0.00 176.35 179.31 3ib3 n PHE 244 N -0.69 1.66 -2.66 0.29 7.35 -0.20 -4.78 117.46 118.44 3ib3 n PHE 244 Ca -0.05 -1.69 0.00 0.00 -0.76 0.00 0.00 57.45 54.95 3ib3 n PHE 244 Cb 0.60 -1.61 0.00 0.00 0.35 0.00 0.00 39.48 38.83 3ib3 n PHE 244 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3ib3 n ASP 245 N 7.42 0.45 0.22 -2.13 5.68 -1.26 -4.71 116.55 122.23 3ib3 n ASP 245 Ca 0.49 -0.43 0.05 0.00 -0.50 0.00 0.00 54.79 54.40 3ib3 n ASP 245 Cb 0.39 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.86 3ib3 n ASP 245 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ib3 h ASP 246 N 0.00 0.00 0.17 -1.12 3.32 -1.99 0.17 116.42 116.97 3ib3 h ASP 246 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3ib3 h ASP 246 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ib3 h ASP 246 CO 0.00 0.20 -0.08 0.15 -1.72 0.00 0.00 179.24 177.79 3ib3 h PHE 247 N 0.00 -0.21 0.00 4.55 3.57 -1.94 -3.18 116.94 119.73 3ib3 h PHE 247 Ca -0.00 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 3ib3 h PHE 247 Cb 0.35 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3ib3 h PHE 247 CO 0.00 -0.09 -0.74 -1.49 -2.23 0.00 0.00 178.31 173.76 3ib3 h TRP 248 N -0.27 0.00 -0.12 0.41 -0.00 -1.58 -2.97 115.95 111.42 3ib3 h TRP 248 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 3ib3 h TRP 248 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.37 3ib3 h TRP 248 CO -0.05 0.74 0.09 0.87 -0.00 0.00 0.00 178.44 180.08 3ib3 h LYS 249 N 0.00 0.00 0.00 0.49 1.57 -0.76 -0.30 116.57 117.57 3ib3 h LYS 249 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3ib3 h LYS 249 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3ib3 h LYS 249 CO 0.10 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 3ib3 n GLN 250 N -4.44 0.05 -0.78 3.15 6.02 -1.12 -3.47 117.38 116.79 3ib3 n GLN 250 Ca -0.00 0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 57.08 3ib3 n GLN 250 Cb 0.21 -1.57 0.20 0.00 1.02 0.00 0.00 30.24 30.10 3ib3 n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ib3 n ARG 251 N -1.66 1.82 -4.09 -1.09 5.12 -0.13 -4.40 116.66 112.24 3ib3 n ARG 251 Ca 0.06 -3.20 -0.33 0.00 -1.93 0.00 0.00 57.85 52.44 3ib3 n ARG 251 Cb 0.30 -1.79 -0.16 0.00 -1.16 0.00 0.00 32.46 29.65 3ib3 n ARG 251 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3ib3 s GLN 252 N -3.24 2.99 0.20 5.56 0.74 -1.20 -4.12 119.66 120.59 3ib3 s GLN 252 Ca 0.44 -0.84 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 3ib3 s GLN 252 Cb 0.40 -2.65 -0.09 0.00 1.10 0.00 0.00 33.01 31.78 3ib3 s GLN 252 CO -0.01 -0.23 1.31 0.08 -0.55 0.00 0.00 175.29 175.89 3ib3 s VAL 253 N 1.30 3.17 -1.11 1.34 1.01 0.86 -4.90 120.40 122.09 3ib3 s VAL 253 Ca 0.04 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 62.78 3ib3 s VAL 253 Cb -0.14 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3ib3 s VAL 253 CO -0.11 0.15 1.92 -2.65 0.00 0.00 0.00 175.10 174.40 3ib3 n PRO 254 N 2.56 1.77 0.10 2.72 -0.02 -1.26 -4.83 135.00 136.04 3ib3 n PRO 254 Ca 0.06 -2.41 0.02 0.00 -2.02 0.00 0.00 63.50 59.15 3ib3 n PRO 254 Cb 0.43 -3.51 0.39 0.00 -0.02 0.00 0.00 33.50 30.78 3ib3 n PRO 254 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ib3 h LEU 255 N 16.15 0.26 0.00 2.45 3.38 -1.90 -2.29 115.31 133.36 3ib3 h LEU 255 Ca 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ib3 h LEU 255 Cb 0.86 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ib3 h LEU 255 CO 1.44 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 178.82 3ib3 n SER 256 N -4.29 0.00 0.20 -0.43 3.41 -1.23 -1.03 113.62 110.26 3ib3 n SER 256 Ca -0.00 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 3ib3 n SER 256 Cb 0.26 -0.34 0.27 0.00 -0.26 0.00 0.00 64.21 64.13 3ib3 n SER 256 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3ib3 h GLN 257 N 0.00 0.00 -6.45 4.33 4.20 -1.71 -3.35 115.11 112.13 3ib3 h GLN 257 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3ib3 h GLN 257 Cb 0.21 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.01 3ib3 h GLN 257 CO 0.00 0.00 1.00 0.42 -0.67 0.00 0.00 178.83 179.58 3ib3 s ILE 258 N -3.23 3.04 -0.02 2.54 1.01 -0.20 -4.82 121.20 119.52 3ib3 s ILE 258 Ca 0.07 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3ib3 s ILE 258 Cb 0.07 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.22 3ib3 s ILE 258 CO 0.64 -0.00 0.02 0.29 0.00 0.00 0.00 174.94 175.89 3ib3 n LYS 259 N 5.59 4.91 -2.06 2.79 5.02 -1.26 0.26 118.16 133.41 3ib3 n LYS 259 Ca 0.16 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 3ib3 n LYS 259 Cb 0.40 -0.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.77 3ib3 n LYS 259 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ib3 s THR 260 N -1.33 2.69 0.26 -0.18 2.01 -1.26 -4.28 115.64 113.55 3ib3 s THR 260 Ca 0.00 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 3ib3 s THR 260 Cb 0.00 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.19 3ib3 s THR 260 CO 0.02 -0.05 1.56 -2.84 -0.69 0.00 0.00 174.62 172.63 3ib3 s PRO 261 N -3.04 4.17 -0.10 4.92 0.02 -1.26 -4.65 135.00 135.06 3ib3 s PRO 261 Ca 0.72 2.49 0.01 0.00 0.02 0.00 0.00 61.00 64.24 3ib3 s PRO 261 Cb -0.32 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3ib3 s PRO 261 CO 0.36 -0.58 -0.13 -1.17 -0.33 0.00 0.00 177.00 175.15 3ib3 s LEU 262 N -0.21 1.60 -0.28 -5.54 2.96 -0.33 -4.43 118.68 112.45 3ib3 s LEU 262 Ca 0.64 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3ib3 s LEU 262 Cb -0.46 -0.99 0.05 0.00 0.50 0.00 0.00 46.19 45.29 3ib3 s LEU 262 CO 0.44 -0.01 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.21 3ib3 s LEU 263 N 1.08 3.70 -0.08 -0.68 2.96 -1.26 -0.02 118.68 124.39 3ib3 s LEU 263 Ca -0.05 -1.23 -0.02 0.00 -0.22 0.00 0.00 54.13 52.60 3ib3 s LEU 263 Cb -0.15 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3ib3 s LEU 263 CO -0.02 -0.23 0.02 -0.89 -1.32 0.00 0.00 176.35 173.91 3ib3 s THR 264 N 1.24 4.43 -0.20 3.68 2.01 0.73 -3.36 115.64 124.18 3ib3 s THR 264 Ca -0.05 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ib3 s THR 264 Cb -0.19 -2.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 3ib3 s THR 264 CO -0.02 0.58 -0.05 0.00 -0.69 0.00 0.00 174.62 174.43 3ib3 s ALA 266 N 1.15 3.52 -0.01 0.00 0.00 -0.55 -1.18 121.76 124.69 3ib3 s ALA 266 Ca 0.02 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.49 3ib3 s ALA 266 Cb -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.81 3ib3 s ALA 266 CO -0.01 0.23 -0.03 0.45 0.00 0.00 0.00 175.76 176.40 3ib3 s SER 267 N -3.82 0.43 0.52 0.00 0.15 -1.26 -2.89 113.70 106.83 3ib3 s SER 267 Ca 0.33 -0.06 0.28 0.00 0.70 0.00 0.00 55.95 57.20 3ib3 s SER 267 Cb -0.07 -0.10 1.44 0.00 -1.71 0.00 0.00 66.02 65.58 3ib3 s SER 267 CO 0.24 0.01 2.06 -0.50 1.20 0.00 0.00 173.24 176.25 3ib3 h TRP 268 N 6.35 0.00 0.00 3.44 -0.00 -1.55 -3.15 115.95 121.04 3ib3 h TRP 268 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.58 3ib3 h TRP 268 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 3ib3 h TRP 268 CO 0.43 0.12 0.00 0.43 -0.00 0.00 0.00 178.44 179.42 3ib3 n SER 269 N -3.57 0.00 -0.56 -3.49 7.64 -1.26 -4.10 113.62 108.28 3ib3 n SER 269 Ca -0.02 -0.16 0.06 0.00 1.01 0.00 0.00 58.87 59.76 3ib3 n SER 269 Cb 0.25 -0.25 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 3ib3 n SER 269 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ib3 n THR 270 N -1.25 2.18 -2.04 0.44 -1.04 -1.19 -2.26 114.28 109.11 3ib3 n THR 270 Ca 0.13 -2.75 -0.42 0.00 -2.04 0.00 0.00 64.05 58.96 3ib3 n THR 270 Cb 0.19 -0.26 -0.03 0.00 -1.82 0.00 0.00 70.33 68.42 3ib3 n THR 270 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ib3 s GLN 271 N -3.10 4.23 0.00 -2.82 -0.21 -1.26 -1.47 119.66 115.03 3ib3 s GLN 271 Ca 0.38 2.18 0.00 0.00 0.02 0.00 0.00 55.36 57.94 3ib3 s GLN 271 Cb 0.35 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.74 3ib3 s GLN 271 CO -0.02 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 3ib3 n GLY 272 N 3.87 0.55 0.00 3.09 0.00 -1.26 -4.45 105.19 106.98 3ib3 n GLY 272 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3ib3 n GLY 272 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ib3 n LEU 273 N 0.00 0.00 0.05 0.99 7.94 -0.54 -4.71 117.00 120.73 3ib3 n LEU 273 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3ib3 n LEU 273 Cb 0.00 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.36 3ib3 n LEU 273 CO 0.00 0.00 0.75 1.41 -1.11 0.00 0.00 177.39 178.44 3ib3 n HIS 274 N 0.00 0.44 0.33 1.96 8.25 -1.19 -4.44 115.22 120.57 3ib3 n HIS 274 Ca 0.00 0.13 -0.17 0.00 -0.26 0.00 0.00 57.72 57.42 3ib3 n HIS 274 Cb 0.00 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 30.37 3ib3 n HIS 274 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3ib3 h ASN 275 N 0.00 -0.69 -0.73 0.41 -0.73 -1.78 -1.49 115.58 110.57 3ib3 h ASN 275 Ca 0.00 0.03 0.10 0.00 1.87 0.00 0.00 56.30 58.29 3ib3 h ASN 275 Cb 0.63 0.18 -0.07 0.00 0.27 0.00 0.00 38.32 39.33 3ib3 h ASN 275 CO 0.00 -0.49 0.37 -0.09 -0.37 0.00 0.00 177.43 176.85 3ib3 h ARG 276 N -0.80 0.60 0.06 6.67 2.43 -1.85 -3.08 114.38 118.40 3ib3 h ARG 276 Ca -0.08 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.82 3ib3 h ARG 276 Cb 0.62 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3ib3 h ARG 276 CO 0.13 0.40 -1.06 0.78 -1.51 0.00 0.00 179.97 178.71 3ib3 h GLY 277 N 0.61 0.28 0.84 2.80 0.00 -1.79 -1.80 103.07 104.02 3ib3 h GLY 277 Ca 0.36 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 47.17 3ib3 h GLY 277 CO -0.27 0.53 0.55 1.76 0.00 0.00 0.00 176.54 179.11 3ib3 h SER 278 N 0.11 0.79 -0.01 0.19 0.02 -0.97 0.57 113.55 114.25 3ib3 h SER 278 Ca -0.09 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3ib3 h SER 278 Cb 1.74 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 64.14 3ib3 h SER 278 CO 0.17 0.49 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.66 3ib3 h PHE 279 N 0.89 0.45 -0.86 3.45 0.04 -1.47 -2.01 116.94 117.42 3ib3 h PHE 279 Ca 0.38 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.94 3ib3 h PHE 279 Cb 0.32 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.37 3ib3 h PHE 279 CO -0.00 1.04 0.56 0.93 -0.60 0.00 0.00 178.31 180.25 3ib3 h GLU 280 N -0.27 1.05 -0.45 1.51 4.39 -1.06 0.15 114.58 119.90 3ib3 h GLU 280 Ca -0.05 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3ib3 h GLU 280 Cb 1.16 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 3ib3 h GLU 280 CO 0.09 0.70 0.21 0.78 -1.16 0.00 0.00 179.01 179.62 3ib3 h GLY 281 N 1.08 0.70 0.80 -3.84 0.00 0.17 0.24 103.07 102.23 3ib3 h GLY 281 Ca 0.34 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3ib3 h GLY 281 CO -0.10 0.34 -0.23 -2.75 0.00 0.00 0.00 176.54 173.80 3ib3 h PHE 282 N 0.58 0.55 -0.22 5.60 3.57 -1.04 -3.06 116.94 122.94 3ib3 h PHE 282 Ca 0.15 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3ib3 h PHE 282 Cb 0.14 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3ib3 h PHE 282 CO -0.01 0.86 -0.12 0.87 -2.23 0.00 0.00 178.31 177.68 3ib3 h LYS 283 N 0.09 -0.10 0.00 1.11 1.57 -0.56 -3.31 116.57 115.36 3ib3 h LYS 283 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3ib3 h LYS 283 Cb 0.79 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3ib3 h LYS 283 CO 0.05 -0.07 -0.71 1.96 -0.57 0.00 0.00 179.45 180.12 3ib3 h GLN 284 N -0.11 0.00 -6.88 3.15 4.20 -0.61 -3.47 115.11 111.40 3ib3 h GLN 284 Ca 0.12 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.30 3ib3 h GLN 284 Cb 0.29 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.16 3ib3 h GLN 284 CO -0.28 0.00 0.80 0.00 -0.67 0.00 0.00 178.83 178.67 3ib3 s ALA 285 N -3.21 3.62 -1.07 3.87 0.00 -1.15 -3.47 121.76 120.35 3ib3 s ALA 285 Ca 0.05 1.52 0.29 0.00 0.00 0.00 0.00 51.96 53.82 3ib3 s ALA 285 Cb 0.12 -3.60 1.24 0.00 0.00 0.00 0.00 23.12 20.89 3ib3 s ALA 285 CO 0.74 -0.97 1.92 0.00 0.00 0.00 0.00 175.76 177.45 3ib3 n ALA 286 N 1.18 2.42 -1.55 0.00 0.00 0.14 -4.91 120.51 117.78 3ib3 n ALA 286 Ca 0.04 -0.12 -0.63 0.00 0.00 0.00 0.00 53.44 52.72 3ib3 n ALA 286 Cb 0.39 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3ib3 n ALA 286 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ib3 n SER 287 N -1.46 1.05 0.21 0.00 7.64 -0.50 -4.82 113.62 115.74 3ib3 n SER 287 Ca 0.08 1.02 0.06 0.00 1.01 0.00 0.00 58.87 61.03 3ib3 n SER 287 Cb 0.32 -0.84 0.48 0.00 -1.01 0.00 0.00 64.21 63.16 3ib3 n SER 287 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3ib3 h GLU 288 N 5.67 0.00 -4.48 1.43 5.08 -1.89 -3.38 114.58 117.01 3ib3 h GLU 288 Ca -0.34 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.32 3ib3 h GLU 288 Cb 1.32 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.23 3ib3 h GLU 288 CO 0.96 0.27 -0.54 -1.21 -1.00 0.00 0.00 179.01 177.49 3ib3 s GLU 289 N -4.26 2.11 -0.02 2.33 2.02 -1.26 -5.09 118.70 114.53 3ib3 s GLU 289 Ca -0.03 -1.76 -0.04 0.00 0.02 0.00 0.00 54.97 53.16 3ib3 s GLU 289 Cb 0.14 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.77 3ib3 s GLU 289 CO 0.68 -1.05 0.09 -1.59 0.02 0.00 0.00 175.26 173.41 3ib3 s LYS 290 N 1.19 0.27 0.02 1.61 -2.85 -1.26 -1.18 119.74 117.53 3ib3 s LYS 290 Ca 0.07 -0.16 0.01 0.00 -1.00 0.00 0.00 55.97 54.89 3ib3 s LYS 290 Cb -0.23 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.64 3ib3 s LYS 290 CO -0.03 -0.05 -0.05 -1.58 0.10 0.00 0.00 175.35 173.74 3ib3 s TRP 291 N -0.66 0.42 -0.06 1.78 0.51 0.97 -4.76 118.94 117.14 3ib3 s TRP 291 Ca -0.07 -0.27 0.03 0.00 -2.12 0.00 0.00 56.10 53.66 3ib3 s TRP 291 Cb -0.05 -0.26 0.01 0.00 -0.81 0.00 0.00 33.47 32.36 3ib3 s TRP 291 CO 0.00 -0.06 -0.13 -1.17 -0.51 0.00 0.00 176.95 175.08 3ib3 s LEU 292 N -0.77 1.72 -0.17 2.99 2.96 0.28 -0.19 118.68 125.50 3ib3 s LEU 292 Ca -0.05 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3ib3 s LEU 292 Cb -0.05 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.78 3ib3 s LEU 292 CO -0.00 0.06 -0.16 -0.47 -1.32 0.00 0.00 176.35 174.46 3ib3 s TYR 293 N 0.52 2.79 -0.08 5.38 5.04 0.12 -0.95 117.35 130.16 3ib3 s TYR 293 Ca -0.12 -1.26 0.03 0.00 -2.44 0.00 0.00 57.07 53.27 3ib3 s TYR 293 Cb -0.15 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.25 3ib3 s TYR 293 CO 0.04 -0.61 -0.17 0.08 -1.34 0.00 0.00 175.55 173.55 3ib3 s VAL 294 N 1.06 1.51 0.13 3.14 1.01 -0.05 -1.48 120.40 125.73 3ib3 s VAL 294 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3ib3 s VAL 294 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3ib3 s VAL 294 CO -0.05 0.44 0.00 -1.38 0.00 0.00 0.00 175.10 174.11 3ib3 s HIS 295 N 0.58 0.97 -0.30 5.22 -3.43 -1.14 -1.68 115.29 115.51 3ib3 s HIS 295 Ca -0.15 -1.07 0.08 0.00 -0.80 0.00 0.00 55.06 53.12 3ib3 s HIS 295 Cb -0.16 -0.56 0.49 0.00 -1.43 0.00 0.00 32.58 30.91 3ib3 s HIS 295 CO 0.05 -0.31 1.44 0.41 -2.00 0.00 0.00 174.74 174.34 3ib3 n GLY 296 N -0.12 5.14 0.00 -1.38 0.00 -1.26 -1.45 105.19 106.12 3ib3 n GLY 296 Ca -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3ib3 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib3 n ARG 297 N -1.08 3.33 -3.25 1.61 5.12 -1.26 -4.57 116.66 116.56 3ib3 n ARG 297 Ca 0.35 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.95 3ib3 n ARG 297 Cb 0.98 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 32.23 3ib3 n ARG 297 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ib3 s LYS 298 N 0.79 3.91 0.00 5.56 1.02 -1.26 -4.61 119.74 125.14 3ib3 s LYS 298 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.48 3ib3 s LYS 298 Cb 0.00 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3ib3 s LYS 298 CO 0.00 0.22 0.77 -1.91 -0.92 0.00 0.00 175.35 173.52 3ib3 n GLU 299 N -0.29 0.00 -0.15 1.68 2.13 -1.26 -1.17 120.64 121.58 3ib3 n GLU 299 Ca 0.02 0.37 -0.11 0.00 0.66 0.00 0.00 57.16 58.10 3ib3 n GLU 299 Cb 0.53 -1.27 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 3ib3 n GLU 299 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3ib3 h TRP 300 N 0.00 0.93 -0.93 4.31 6.55 -1.97 -2.76 115.95 122.08 3ib3 h TRP 300 Ca 0.00 -0.20 0.26 0.00 0.95 0.00 0.00 58.89 59.90 3ib3 h TRP 300 Cb 0.00 -0.23 -0.17 0.00 -0.86 0.00 0.00 29.16 27.91 3ib3 h TRP 300 CO 0.01 0.93 0.11 1.49 -1.05 0.00 0.00 178.44 179.93 3ib3 h GLU 301 N 0.65 0.07 0.02 0.49 4.81 -1.76 -2.20 114.58 116.66 3ib3 h GLU 301 Ca 0.11 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.10 3ib3 h GLU 301 Cb 0.63 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3ib3 h GLU 301 CO 0.04 0.05 -1.19 0.77 -0.73 0.00 0.00 179.01 177.94 3ib3 h SER 302 N 0.07 0.06 -0.99 1.04 0.02 -0.87 -2.96 113.55 109.92 3ib3 h SER 302 Ca 0.57 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.49 3ib3 h SER 302 Cb 1.18 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 3ib3 h SER 302 CO -0.81 1.06 0.65 0.22 -1.14 0.00 0.00 176.83 176.81 3ib3 h TYR 303 N 0.01 1.22 -0.02 3.45 3.20 -1.13 -3.19 116.97 120.50 3ib3 h TYR 303 Ca -0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3ib3 h TYR 303 Cb 1.85 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.71 3ib3 h TYR 303 CO 0.01 0.70 -0.10 0.66 -1.64 0.00 0.00 178.16 177.80 3ib3 n TYR 304 N -4.45 0.00 -2.02 -3.82 4.01 -1.02 -4.23 117.16 105.64 3ib3 n TYR 304 Ca 0.13 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.46 3ib3 n TYR 304 Cb 0.09 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 3ib3 n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ib3 s ALA 305 N -2.12 3.55 0.28 -0.72 0.00 -1.12 -4.78 121.76 116.85 3ib3 s ALA 305 Ca 0.29 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3ib3 s ALA 305 Cb 0.20 -3.53 0.69 0.00 0.00 0.00 0.00 23.12 20.48 3ib3 s ALA 305 CO 0.37 -0.76 1.68 -0.09 0.00 0.00 0.00 175.76 176.96 3ib3 h ARG 306 N 3.67 0.32 -0.54 0.00 9.65 -1.91 -1.14 114.38 124.42 3ib3 h ARG 306 Ca -0.49 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.45 3ib3 h ARG 306 Cb 1.23 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.67 3ib3 h ARG 306 CO 0.68 0.21 0.19 1.49 2.80 0.00 0.00 179.97 185.34 3ib3 h GLU 307 N 0.33 0.35 0.00 0.20 4.81 -1.94 -0.13 114.58 118.20 3ib3 h GLU 307 Ca 0.54 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.62 3ib3 h GLU 307 Cb 1.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 3ib3 h GLU 307 CO -0.56 0.23 -0.70 -0.91 -0.73 0.00 0.00 179.01 176.34 3ib3 h ASN 308 N 0.36 0.00 -0.51 1.04 2.35 -1.51 -1.71 115.58 115.60 3ib3 h ASN 308 Ca 0.27 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3ib3 h ASN 308 Cb 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3ib3 h ASN 308 CO -0.28 0.59 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.00 3ib3 h LEU 309 N 0.00 0.94 -0.44 1.61 3.38 -0.42 -1.40 115.31 118.98 3ib3 h LEU 309 Ca -0.03 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3ib3 h LEU 309 Cb 1.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3ib3 h LEU 309 CO 0.07 1.01 -0.20 -0.33 0.09 0.00 0.00 178.44 179.08 3ib3 h GLU 310 N 0.88 0.92 -0.29 1.13 4.39 -0.93 0.04 114.58 120.73 3ib3 h GLU 310 Ca 0.16 -0.40 0.06 0.00 0.34 0.00 0.00 59.36 59.52 3ib3 h GLU 310 Cb 0.55 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 3ib3 h GLU 310 CO 0.03 1.05 -0.07 -0.09 -1.16 0.00 0.00 179.01 178.78 3ib3 h ARG 311 N 0.75 0.01 -0.33 2.33 2.43 -1.09 0.97 114.38 119.44 3ib3 h ARG 311 Ca 0.10 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3ib3 h ARG 311 Cb 0.77 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 3ib3 h ARG 311 CO 0.06 0.00 0.06 1.96 -1.51 0.00 0.00 179.97 180.55 3ib3 h GLN 312 N 0.01 0.17 -0.70 0.20 4.20 -1.16 -1.92 115.11 115.90 3ib3 h GLN 312 Ca 0.14 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3ib3 h GLN 312 Cb 0.21 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3ib3 h GLN 312 CO -0.29 0.11 0.17 -0.22 -0.67 0.00 0.00 178.83 177.93 3ib3 h LYS 313 N 0.18 1.12 -0.23 1.46 3.64 -0.52 0.95 116.57 123.17 3ib3 h LYS 313 Ca 0.16 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3ib3 h LYS 313 Cb 0.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ib3 h LYS 313 CO -0.21 0.99 0.13 1.03 -2.27 0.00 0.00 179.45 179.12 3ib3 h SER 314 N 1.06 0.28 0.13 4.20 0.87 -0.62 0.63 113.55 120.10 3ib3 h SER 314 Ca 0.22 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3ib3 h SER 314 Cb 0.37 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3ib3 h SER 314 CO 0.00 0.28 -0.30 0.15 -0.53 0.00 0.00 176.83 176.44 3ib3 h PHE 315 N 0.26 -0.81 -0.19 2.24 3.57 -1.04 -2.59 116.94 118.38 3ib3 h PHE 315 Ca 0.08 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3ib3 h PHE 315 Cb 0.06 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3ib3 h PHE 315 CO -0.04 -0.41 -0.20 0.74 -2.23 0.00 0.00 178.31 176.17 3ib3 h PHE 316 N -0.53 0.36 -0.71 0.41 0.04 -0.38 -1.75 116.94 114.38 3ib3 h PHE 316 Ca 0.03 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3ib3 h PHE 316 Cb 0.55 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3ib3 h PHE 316 CO -0.26 0.52 0.41 -0.44 -0.60 0.00 0.00 178.31 177.94 3ib3 h ASP 317 N 0.30 0.85 -0.01 2.17 3.32 0.37 0.36 116.42 123.79 3ib3 h ASP 317 Ca 0.05 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ib3 h ASP 317 Cb 0.54 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3ib3 h ASP 317 CO 0.04 0.67 -0.07 0.15 -1.72 0.00 0.00 179.24 178.30 3ib3 h PHE 318 N 0.98 0.09 0.00 4.55 3.57 -1.00 -1.13 116.94 124.00 3ib3 h PHE 318 Ca 0.25 -0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.45 3ib3 h PHE 318 Cb -0.02 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3ib3 h PHE 318 CO 0.00 0.76 -1.52 1.88 -2.23 0.00 0.00 178.31 177.21 3ib3 h TYR 319 N -0.60 0.00 0.00 0.41 0.05 -1.13 -1.99 116.97 113.71 3ib3 h TYR 319 Ca -0.01 0.00 -0.35 0.00 0.05 0.00 0.00 58.73 58.43 3ib3 h TYR 319 Cb 0.77 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.45 3ib3 h TYR 319 CO 0.17 0.97 -2.31 1.28 -1.05 0.00 0.00 178.16 177.21 3ib3 n LEU 320 N -3.11 0.84 -0.05 3.88 4.77 0.13 -4.25 117.00 119.22 3ib3 n LEU 320 Ca -0.12 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3ib3 n LEU 320 Cb 1.01 0.09 0.15 0.00 -2.33 0.00 0.00 43.42 42.34 3ib3 n LEU 320 CO 0.45 0.59 0.33 0.29 -1.33 0.00 0.00 177.39 177.72 3ib3 n LYS 321 N -2.84 0.14 -3.45 3.23 5.02 -1.11 -4.66 118.16 114.49 3ib3 n LYS 321 Ca -0.34 -0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 55.60 3ib3 n LYS 321 Cb 1.07 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.60 3ib3 n LYS 321 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ib3 n GLU 322 N -1.34 -4.77 -3.56 1.97 1.02 -0.76 -4.92 120.64 108.28 3ib3 n GLU 322 Ca 0.06 0.66 -0.36 0.00 -0.02 0.00 0.00 57.16 57.50 3ib3 n GLU 322 Cb 0.34 -5.49 -0.06 0.00 -0.02 0.00 0.00 31.44 26.22 3ib3 n GLU 322 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3ib3 s GLU 323 N -6.14 3.80 -1.13 3.49 2.12 -0.46 -4.98 118.70 115.40 3ib3 s GLU 323 Ca 0.47 0.24 -0.21 0.00 0.36 0.00 0.00 54.97 55.82 3ib3 s GLU 323 Cb -0.23 -3.06 0.04 0.00 0.26 0.00 0.00 34.13 31.14 3ib3 s GLU 323 CO 0.58 0.60 1.65 -0.80 -0.54 0.00 0.00 175.26 176.75 3ib3 s ASN 324 N -1.56 6.37 0.54 -1.70 0.01 -1.26 -4.32 114.94 113.02 3ib3 s ASN 324 Ca 0.30 -1.79 0.03 0.00 -0.71 0.00 0.00 52.86 50.70 3ib3 s ASN 324 Cb -0.15 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 38.96 3ib3 s ASN 324 CO 0.16 -1.64 0.22 0.54 -1.51 0.00 0.00 177.10 174.88 3ib3 s ASN 325 N 5.11 4.40 -0.21 -1.22 2.20 -1.26 -5.05 114.94 118.91 3ib3 s ASN 325 Ca 0.53 -1.48 0.03 0.00 -0.94 0.00 0.00 52.86 51.01 3ib3 s ASN 325 Cb 0.01 0.57 0.35 0.00 -2.00 0.00 0.00 41.25 40.18 3ib3 s ASN 325 CO -0.00 -1.03 1.41 0.47 -2.94 0.00 0.00 177.10 175.01 3ib3 n ASP 326 N -1.56 3.38 -0.18 3.54 8.00 -1.26 -4.67 116.55 123.80 3ib3 n ASP 326 Ca -0.11 -2.75 -0.00 0.00 0.71 0.00 0.00 54.79 52.63 3ib3 n ASP 326 Cb 0.66 -0.66 0.09 0.00 -0.02 0.00 0.00 41.12 41.19 3ib3 n ASP 326 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3ib3 h TRP 327 N 0.75 0.14 0.00 1.24 2.91 -1.94 -1.01 115.95 118.04 3ib3 h TRP 327 Ca 0.27 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.32 3ib3 h TRP 327 Cb 1.83 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 30.50 3ib3 h TRP 327 CO 0.76 -0.05 0.00 1.63 -1.03 0.00 0.00 178.44 179.76 3ib3 n LYS 328 N -5.15 0.12 0.23 2.65 5.02 -1.26 -0.71 118.16 119.05 3ib3 n LYS 328 Ca 0.08 0.52 0.16 0.00 -2.02 0.00 0.00 58.31 57.04 3ib3 n LYS 328 Cb 0.30 -1.81 0.75 0.00 -0.02 0.00 0.00 35.03 34.24 3ib3 n LYS 328 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3ib3 h ASP 329 N 0.00 0.00 -2.70 4.39 5.19 -1.56 -3.45 116.42 118.30 3ib3 h ASP 329 Ca 0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3ib3 h ASP 329 Cb 0.13 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.67 3ib3 h ASP 329 CO 0.00 0.00 0.98 -0.89 -3.12 0.00 0.00 179.24 176.21 3ib3 s THR 330 N -3.67 2.82 0.49 0.35 2.01 0.11 -4.96 115.64 112.79 3ib3 s THR 330 Ca -0.01 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 3ib3 s THR 330 Cb 0.09 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 3ib3 s THR 330 CO 0.38 0.01 1.15 -2.65 -0.69 0.00 0.00 174.62 172.82 3ib3 n PRO 331 N 5.10 1.49 0.23 4.92 -0.02 -1.26 -4.87 135.00 140.60 3ib3 n PRO 331 Ca 0.16 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 3ib3 n PRO 331 Cb 0.39 -2.29 0.52 0.00 -0.02 0.00 0.00 33.50 32.11 3ib3 n PRO 331 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ib3 h HIS 332 N 1.42 0.00 -3.30 6.00 3.86 -1.84 -3.40 115.15 117.89 3ib3 h HIS 332 Ca -0.48 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.22 3ib3 h HIS 332 Cb 1.32 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.44 3ib3 h HIS 332 CO 0.44 0.20 -0.81 0.08 0.86 0.00 0.00 177.93 178.70 3ib3 s VAL 333 N -3.75 1.04 -0.10 2.45 1.01 -0.42 0.10 120.40 120.73 3ib3 s VAL 333 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3ib3 s VAL 333 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3ib3 s VAL 333 CO 0.62 0.35 -0.24 -0.63 0.00 0.00 0.00 175.10 175.21 3ib3 s ILE 334 N 1.21 2.06 -0.07 2.22 1.01 -0.12 -1.24 121.20 126.26 3ib3 s ILE 334 Ca -0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 3ib3 s ILE 334 Cb -0.14 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3ib3 s ILE 334 CO -0.03 0.56 0.22 -0.72 0.00 0.00 0.00 174.94 174.97 3ib3 s TYR 335 N 0.36 -0.22 0.06 3.97 -0.85 0.71 -0.87 117.35 120.51 3ib3 s TYR 335 Ca -0.19 0.53 -0.28 0.00 -0.52 0.00 0.00 57.07 56.61 3ib3 s TYR 335 Cb -0.18 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.18 3ib3 s TYR 335 CO 0.09 -0.14 0.90 -2.00 -1.52 0.00 0.00 175.55 172.88 3ib3 s GLU 336 N -0.03 4.60 -0.48 -3.49 2.12 -0.67 -0.19 118.70 120.56 3ib3 s GLU 336 Ca -0.01 1.30 -0.17 0.00 0.36 0.00 0.00 54.97 56.45 3ib3 s GLU 336 Cb -0.02 -3.39 0.06 0.00 0.26 0.00 0.00 34.13 31.04 3ib3 s GLU 336 CO 0.01 0.17 0.48 0.08 -0.54 0.00 0.00 175.26 175.46 3ib3 s VAL 337 N 0.23 5.09 0.09 3.70 1.01 0.13 -4.68 120.40 125.98 3ib3 s VAL 337 Ca 0.45 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 3ib3 s VAL 337 Cb -0.22 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 3ib3 s VAL 337 CO 0.27 -0.64 1.23 -0.13 0.00 0.00 0.00 175.10 175.83 3ib3 s ARG 338 N 2.04 4.42 -0.25 2.72 0.52 -0.50 -1.72 118.95 126.19 3ib3 s ARG 338 Ca 0.09 1.84 -0.14 0.00 -0.52 0.00 0.00 55.73 57.00 3ib3 s ARG 338 Cb -0.22 -3.31 -0.11 0.00 0.52 0.00 0.00 34.95 31.84 3ib3 s ARG 338 CO 0.09 -0.26 -0.34 -3.47 0.02 0.00 0.00 175.30 171.35 3ib3 n ASP 339 N 3.67 1.85 -2.97 0.23 2.03 0.18 -0.86 116.55 120.68 3ib3 n ASP 339 Ca 0.09 0.32 -0.17 0.00 0.52 0.00 0.00 54.79 55.55 3ib3 n ASP 339 Cb 0.45 -0.77 -0.06 0.00 -0.72 0.00 0.00 41.12 40.03 3ib3 n ASP 339 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ib3 n GLN 340 N -4.21 0.43 -1.72 -0.67 1.13 -0.78 -4.87 117.38 106.70 3ib3 n GLN 340 Ca -0.47 -2.68 -0.42 0.00 -1.94 0.00 0.00 57.00 51.48 3ib3 n GLN 340 Cb 0.82 1.95 -0.03 0.00 0.11 0.00 0.00 30.24 33.10 3ib3 n GLN 340 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3ib3 s PHE 341 N -2.98 1.48 -1.46 1.08 5.36 -1.19 -2.07 117.98 118.20 3ib3 s PHE 341 Ca 0.27 -0.33 -0.05 0.00 -0.96 0.00 0.00 56.93 55.86 3ib3 s PHE 341 Cb 0.01 -4.20 0.02 0.00 -0.34 0.00 0.00 43.02 38.52 3ib3 s PHE 341 CO 0.19 -5.29 0.46 0.66 -1.46 0.00 0.00 175.22 169.78 3ib3 n TYR 342 N 7.22 -1.78 -3.62 10.12 4.02 -1.26 -4.99 117.16 126.87 3ib3 n TYR 342 Ca 0.19 0.41 -0.14 0.00 -0.01 0.00 0.00 57.90 58.35 3ib3 n TYR 342 Cb 0.41 -3.85 -0.13 0.00 -0.02 0.00 0.00 39.34 35.74 3ib3 n TYR 342 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3ib3 s LYS 343 N -5.66 0.15 0.02 -0.72 2.20 -0.88 -5.12 119.74 109.73 3ib3 s LYS 343 Ca 0.27 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.49 3ib3 s LYS 343 Cb -0.13 -0.26 0.01 0.00 -1.51 0.00 0.00 37.83 35.94 3ib3 s LYS 343 CO 0.34 -0.36 0.16 0.41 -0.36 0.00 0.00 175.35 175.54 3ib3 n GLY 344 N 5.34 0.97 3.12 5.54 0.00 -1.26 -0.65 105.19 118.25 3ib3 n GLY 344 Ca -0.06 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 3ib3 n GLY 344 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ib3 s GLU 345 N -2.01 2.28 0.01 1.61 2.12 -0.70 -4.91 118.70 117.11 3ib3 s GLU 345 Ca 0.04 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.51 3ib3 s GLU 345 Cb -0.00 -1.80 -0.05 0.00 0.26 0.00 0.00 34.13 32.53 3ib3 s GLU 345 CO 0.00 0.12 0.68 -0.06 -0.54 0.00 0.00 175.26 175.46 3ib3 s PHE 346 N 0.45 3.69 0.41 5.30 0.08 -1.26 0.22 117.98 126.87 3ib3 s PHE 346 Ca -0.15 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.25 3ib3 s PHE 346 Cb -0.16 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 3ib3 s PHE 346 CO 0.06 0.29 0.08 0.15 -0.10 0.00 0.00 175.22 175.69 3ib3 s LYS 347 N -0.03 1.93 0.17 0.44 1.02 0.74 -4.94 119.74 119.07 3ib3 s LYS 347 Ca 0.35 -2.17 0.05 0.00 0.02 0.00 0.00 55.97 54.22 3ib3 s LYS 347 Cb -0.19 -0.95 -0.05 0.00 -0.52 0.00 0.00 37.83 36.13 3ib3 s LYS 347 CO 0.20 -0.36 -0.11 -1.54 -0.92 0.00 0.00 175.35 172.62 3ib3 s SER 348 N -3.65 2.01 0.17 2.83 1.04 -1.26 -0.21 113.70 114.64 3ib3 s SER 348 Ca 0.23 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.47 3ib3 s SER 348 Cb 0.04 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.15 3ib3 s SER 348 CO 0.12 -0.30 0.46 0.00 0.98 0.00 0.00 173.24 174.51 3ib3 s ALA 349 N -3.24 -0.86 -1.79 5.32 0.00 -0.37 -5.00 121.76 115.81 3ib3 s ALA 349 Ca 0.19 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.19 3ib3 s ALA 349 Cb 0.02 0.81 0.45 0.00 0.00 0.00 0.00 23.12 24.39 3ib3 s ALA 349 CO 0.03 -0.74 1.37 -1.13 0.00 0.00 0.00 175.76 175.29 3ib3 n SER 350 N -0.29 1.35 -3.63 0.00 3.41 -1.26 -1.30 113.62 111.90 3ib3 n SER 350 Ca -0.12 -1.09 -0.12 0.00 -0.26 0.00 0.00 58.87 57.29 3ib3 n SER 350 Cb 0.63 0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 3ib3 n SER 350 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ib3 s ALA 351 N -2.53 -1.03 -0.08 7.33 0.00 -1.26 -4.72 121.76 119.46 3ib3 s ALA 351 Ca 0.21 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3ib3 s ALA 351 Cb 0.19 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 3ib3 s ALA 351 CO 0.56 -0.56 -0.24 0.12 0.00 0.00 0.00 175.76 175.64 3ib3 s PHE 352 N -3.12 2.49 0.64 0.00 5.36 -1.26 -3.61 117.98 118.48 3ib3 s PHE 352 Ca -0.01 -0.93 -0.18 0.00 -0.96 0.00 0.00 56.93 54.85 3ib3 s PHE 352 Cb 0.00 -1.66 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 3ib3 s PHE 352 CO -0.07 -0.35 1.30 -2.14 -1.46 0.00 0.00 175.22 172.50 3ib3 s PRO 353 N 0.17 2.61 0.11 10.12 0.02 -1.26 -4.78 135.00 141.99 3ib3 s PRO 353 Ca -0.14 2.08 -0.33 0.00 0.02 0.00 0.00 61.00 62.64 3ib3 s PRO 353 Cb -0.16 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 3ib3 s PRO 353 CO 0.07 -1.56 1.73 1.28 -0.33 0.00 0.00 177.00 178.20 3ib3 n LEU 354 N -1.82 3.56 0.21 -5.54 4.32 -1.24 -4.88 117.00 111.63 3ib3 n LEU 354 Ca 0.15 1.03 0.05 0.00 -0.02 0.00 0.00 56.01 57.23 3ib3 n LEU 354 Cb 0.48 -1.47 0.47 0.00 -1.62 0.00 0.00 43.42 41.28 3ib3 n LEU 354 CO 0.47 -0.04 0.83 -0.65 -1.22 0.00 0.00 177.39 176.78 3ib3 h PRO 355 N 7.47 0.00 -0.65 3.23 0.11 -1.98 -1.94 132.00 138.24 3ib3 h PRO 355 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ib3 h PRO 355 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ib3 h PRO 355 CO 0.93 0.26 0.00 0.27 -0.21 0.00 0.00 178.00 179.24 3ib3 n ASN 356 N -4.08 4.57 -4.76 -2.05 6.94 -1.26 -4.94 115.26 109.68 3ib3 n ASN 356 Ca -0.02 -2.60 -0.41 0.00 -0.02 0.00 0.00 54.58 51.53 3ib3 n ASN 356 Cb 0.32 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.12 3ib3 n ASN 356 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ib3 s ALA 357 N -2.18 3.54 -0.28 -2.53 0.00 -0.73 -4.49 121.76 115.09 3ib3 s ALA 357 Ca 0.44 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.68 3ib3 s ALA 357 Cb 0.32 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 20.00 3ib3 s ALA 357 CO 0.16 -0.65 -0.07 -1.21 0.00 0.00 0.00 175.76 174.00 3ib3 s GLU 358 N -1.00 2.02 -0.28 0.00 2.02 0.21 -4.93 118.70 116.75 3ib3 s GLU 358 Ca 0.54 -1.46 -0.29 0.00 0.02 0.00 0.00 54.97 53.77 3ib3 s GLU 358 Cb -0.40 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3ib3 s GLU 358 CO 0.47 -0.66 1.22 0.71 0.02 0.00 0.00 175.26 177.01 3ib3 s TYR 359 N 1.07 2.87 -0.19 1.61 2.02 -1.26 -2.41 117.35 121.06 3ib3 s TYR 359 Ca -0.04 1.01 0.01 0.00 -0.37 0.00 0.00 57.07 57.68 3ib3 s TYR 359 Cb -0.20 -3.74 0.02 0.00 -0.40 0.00 0.00 41.96 37.64 3ib3 s TYR 359 CO -0.06 -1.40 -0.17 0.99 -1.57 0.00 0.00 175.55 173.35 3ib3 s THR 360 N 3.95 2.24 0.27 -0.71 2.01 0.56 -4.86 115.64 119.11 3ib3 s THR 360 Ca 0.52 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3ib3 s THR 360 Cb -0.16 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.26 3ib3 s THR 360 CO 0.18 0.47 1.19 -2.16 -0.69 0.00 0.00 174.62 173.62 3ib3 s PRO 361 N 1.30 4.51 -0.16 4.92 0.04 -1.26 -0.35 135.00 144.00 3ib3 s PRO 361 Ca 0.04 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.05 3ib3 s PRO 361 Cb -0.14 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.25 3ib3 s PRO 361 CO -0.11 0.01 -0.20 -0.51 0.04 0.00 0.00 177.00 176.22 3ib3 s LEU 362 N -1.22 2.08 -0.02 -3.56 1.43 0.16 -4.76 118.68 112.78 3ib3 s LEU 362 Ca 0.48 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 3ib3 s LEU 362 Cb -0.35 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3ib3 s LEU 362 CO 0.43 0.04 0.68 -0.31 0.23 0.00 0.00 176.35 177.42 3ib3 s TYR 363 N 1.05 3.65 0.34 0.29 2.02 0.66 -0.40 117.35 124.96 3ib3 s TYR 363 Ca -0.01 1.28 -0.26 0.00 -0.37 0.00 0.00 57.07 57.70 3ib3 s TYR 363 Cb -0.14 -2.74 -0.09 0.00 -0.40 0.00 0.00 41.96 38.59 3ib3 s TYR 363 CO -0.07 0.22 1.04 -0.51 -1.57 0.00 0.00 175.55 174.66 3ib3 s LEU 364 N 0.28 4.32 -0.24 -1.29 1.02 -0.93 -0.62 118.68 121.21 3ib3 s LEU 364 Ca 0.35 2.07 -0.01 0.00 0.02 0.00 0.00 54.13 56.56 3ib3 s LEU 364 Cb -0.18 -3.96 0.07 0.00 0.02 0.00 0.00 46.19 42.13 3ib3 s LEU 364 CO 0.19 -0.29 0.02 0.21 0.02 0.00 0.00 176.35 176.50 3ib3 s ASN 365 N -1.35 3.63 0.41 2.29 2.47 -0.80 -3.95 114.94 117.64 3ib3 s ASN 365 Ca 0.52 -1.21 0.16 0.00 0.42 0.00 0.00 52.86 52.74 3ib3 s ASN 365 Cb -0.25 -0.94 0.90 0.00 -1.45 0.00 0.00 41.25 39.52 3ib3 s ASN 365 CO 0.31 -0.31 1.90 0.00 -3.72 0.00 0.00 177.10 175.28 3ib3 h ALA 366 N 8.06 1.40 -0.78 1.71 0.00 -1.86 0.44 119.26 128.23 3ib3 h ALA 366 Ca -0.16 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3ib3 h ALA 366 Cb 1.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3ib3 h ALA 366 CO 0.41 0.36 0.51 1.49 0.00 0.00 0.00 179.25 182.02 3ib3 h GLU 367 N 0.00 1.00 0.00 0.00 4.81 -1.91 -3.31 114.58 115.16 3ib3 h GLU 367 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3ib3 h GLU 367 Cb 0.55 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3ib3 h GLU 367 CO 0.04 0.66 0.00 0.27 -0.73 0.00 0.00 179.01 179.25 3ib3 n ASN 368 N -4.56 1.18 -3.53 1.04 0.23 -1.21 -5.03 115.26 103.38 3ib3 n ASN 368 Ca 0.08 -1.38 -0.19 0.00 -0.53 0.00 0.00 54.58 52.57 3ib3 n ASN 368 Cb 0.04 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 37.80 3ib3 n ASN 368 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3ib3 n HIS 369 N -0.19 -2.09 -4.33 -2.53 8.25 0.15 -4.96 115.22 109.52 3ib3 n HIS 369 Ca 0.00 0.87 -0.25 0.00 -0.26 0.00 0.00 57.72 58.08 3ib3 n HIS 369 Cb 0.16 -4.64 -0.09 0.00 1.12 0.00 0.00 29.99 26.54 3ib3 n HIS 369 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3ib3 s THR 370 N -3.49 2.55 0.18 1.59 -4.23 -1.16 -2.27 115.64 108.81 3ib3 s THR 370 Ca 0.07 -1.95 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3ib3 s THR 370 Cb -0.01 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 3ib3 s THR 370 CO 0.77 -0.17 0.02 -0.76 -0.54 0.00 0.00 174.62 173.94 3ib3 s LEU 371 N -3.73 3.35 -0.05 4.79 1.43 -0.64 -1.91 118.68 121.93 3ib3 s LEU 371 Ca 0.35 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3ib3 s LEU 371 Cb 0.01 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3ib3 s LEU 371 CO 0.20 0.08 0.26 0.20 0.23 0.00 0.00 176.35 177.32 3ib3 s ASN 372 N -3.05 -0.19 0.33 2.29 0.01 0.20 -4.71 114.94 109.82 3ib3 s ASN 372 Ca 0.28 0.22 0.11 0.00 -0.71 0.00 0.00 52.86 52.77 3ib3 s ASN 372 Cb -0.09 0.40 0.57 0.00 0.41 0.00 0.00 41.25 42.54 3ib3 s ASN 372 CO 0.19 -0.29 1.74 0.45 -1.51 0.00 0.00 177.10 177.68 3ib3 h HIS 373 N 4.68 0.02 -2.82 2.20 3.86 -1.87 0.19 115.15 121.40 3ib3 h HIS 373 Ca -0.28 -0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.29 3ib3 h HIS 373 Cb 1.19 -0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.49 3ib3 h HIS 373 CO 0.49 0.48 -0.77 0.00 0.86 0.00 0.00 177.93 178.98 3ib3 s ALA 374 N -3.98 2.73 0.78 2.45 0.00 -1.26 -4.75 121.76 117.72 3ib3 s ALA 374 Ca -0.02 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 3ib3 s ALA 374 Cb 0.14 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.86 3ib3 s ALA 374 CO 0.74 0.39 0.95 1.63 0.00 0.00 0.00 175.76 179.47 3ib3 n LYS 375 N -0.10 0.28 -3.60 0.00 5.02 -1.26 -4.71 118.16 113.79 3ib3 n LYS 375 Ca -0.10 0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 3ib3 n LYS 375 Cb 0.57 -2.22 -0.11 0.00 -0.02 0.00 0.00 35.03 33.25 3ib3 n LYS 375 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ib3 s ILE 376 N -2.00 5.07 0.12 -0.18 -1.09 -1.26 -4.98 121.20 116.88 3ib3 s ILE 376 Ca 0.71 -0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.90 3ib3 s ILE 376 Cb -0.31 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 3ib3 s ILE 376 CO 0.53 0.16 1.57 0.28 -1.23 0.00 0.00 174.94 176.25 3ib3 h SER 377 N 8.39 0.64 -3.35 3.58 0.02 -1.93 0.19 113.55 121.08 3ib3 h SER 377 Ca -0.34 -0.30 -0.56 0.00 -0.84 0.00 0.00 61.79 59.75 3ib3 h SER 377 Cb 1.17 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 3ib3 h SER 377 CO 0.59 0.78 0.32 -0.55 -1.14 0.00 0.00 176.83 176.82 3ib3 s SER 378 N -6.13 7.15 0.20 3.07 0.15 -1.26 -3.52 113.70 113.35 3ib3 s SER 378 Ca -0.13 1.39 -0.25 0.00 0.70 0.00 0.00 55.95 57.66 3ib3 s SER 378 Cb 0.10 -2.49 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 3ib3 s SER 378 CO 0.78 -0.27 0.80 0.00 1.20 0.00 0.00 173.24 175.75 3ib3 s ALA 379 N 1.33 3.41 0.15 5.45 0.00 -1.26 -3.91 121.76 126.92 3ib3 s ALA 379 Ca 0.44 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.60 3ib3 s ALA 379 Cb -0.19 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3ib3 s ALA 379 CO 0.20 0.28 0.47 -1.01 0.00 0.00 0.00 175.76 175.70 3ib3 s HIS 380 N -1.25 -0.25 -0.07 0.00 4.02 0.34 -4.97 115.29 113.10 3ib3 s HIS 380 Ca 0.39 -0.05 0.00 0.00 1.02 0.00 0.00 55.06 56.42 3ib3 s HIS 380 Cb -0.22 0.35 0.02 0.00 -1.02 0.00 0.00 32.58 31.71 3ib3 s HIS 380 CO 0.26 -0.78 -0.06 0.54 1.02 0.00 0.00 174.74 175.72 3ib3 s VAL 381 N -3.81 0.78 -0.04 -0.90 0.11 -1.26 -0.36 120.40 114.91 3ib3 s VAL 381 Ca 0.04 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.77 3ib3 s VAL 381 Cb 0.01 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 3ib3 s VAL 381 CO -0.10 0.30 0.31 0.00 -3.33 0.00 0.00 175.10 172.28 3ib3 s ALA 382 N 1.30 3.77 0.17 1.54 0.00 0.65 -4.91 121.76 124.27 3ib3 s ALA 382 Ca -0.04 -0.37 0.10 0.00 0.00 0.00 0.00 51.96 51.65 3ib3 s ALA 382 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3ib3 s ALA 382 CO -0.03 0.53 -0.20 -0.65 0.00 0.00 0.00 175.76 175.42 3ib3 s GLN 383 N -1.06 1.69 0.13 0.00 -0.21 -1.26 -0.43 119.66 118.52 3ib3 s GLN 383 Ca 0.20 -1.37 -0.17 0.00 0.02 0.00 0.00 55.36 54.05 3ib3 s GLN 383 Cb -0.15 -1.98 0.04 0.00 1.00 0.00 0.00 33.01 31.91 3ib3 s GLN 383 CO 0.10 0.43 0.42 1.52 -2.12 0.00 0.00 175.29 175.64 3ib3 s TYR 384 N -1.48 -0.24 -0.31 0.91 -0.85 -0.90 -4.82 117.35 109.67 3ib3 s TYR 384 Ca 0.20 -0.07 -0.23 0.00 -0.52 0.00 0.00 57.07 56.45 3ib3 s TYR 384 Cb -0.09 0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.54 3ib3 s TYR 384 CO 0.11 -0.72 0.76 0.34 -1.52 0.00 0.00 175.55 174.51 3ib3 s ASP 385 N -2.80 6.62 0.37 -0.18 -1.08 -1.26 -0.81 116.67 117.52 3ib3 s ASP 385 Ca 0.03 0.59 0.28 0.00 -0.52 0.00 0.00 52.55 52.92 3ib3 s ASP 385 Cb 0.02 -2.39 1.09 0.00 -1.46 0.00 0.00 42.92 40.17 3ib3 s ASP 385 CO -0.12 -0.60 1.81 0.77 0.52 0.00 0.00 175.17 177.56 3ib3 h SER 386 N 8.16 0.00 -0.01 -0.34 4.64 -1.78 -2.87 113.55 121.35 3ib3 h SER 386 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ib3 h SER 386 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3ib3 h SER 386 CO 0.87 0.00 -0.39 -0.62 -0.87 0.00 0.00 176.83 175.82 3ib3 n GLU 387 N -2.59 1.46 -3.26 4.77 1.02 -1.26 -4.45 120.64 116.32 3ib3 n GLU 387 Ca 0.02 -0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 55.76 3ib3 n GLU 387 Cb 0.29 -1.39 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 3ib3 n GLU 387 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ib3 s ASP 388 N -2.18 6.25 0.00 1.62 -1.08 -1.08 -4.93 116.67 115.27 3ib3 s ASP 388 Ca 0.17 -0.39 0.19 0.00 -0.52 0.00 0.00 52.55 51.99 3ib3 s ASP 388 Cb 0.16 -2.25 0.82 0.00 -1.46 0.00 0.00 42.92 40.19 3ib3 s ASP 388 CO 0.48 -0.57 1.59 0.29 0.52 0.00 0.00 175.17 177.49 3ib3 n LYS 389 N 5.75 0.05 0.00 4.34 5.02 -1.26 -2.00 118.16 130.06 3ib3 n LYS 389 Ca -0.06 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 3ib3 n LYS 389 Cb 0.48 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.31 3ib3 n LYS 389 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ib3 n GLN 390 N -1.46 1.09 -4.50 1.97 1.13 -1.26 -4.95 117.38 109.40 3ib3 n GLN 390 Ca 0.05 -0.71 -0.34 0.00 -1.94 0.00 0.00 57.00 54.06 3ib3 n GLN 390 Cb 0.21 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 3ib3 n GLN 390 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ib3 s GLN 391 N -2.40 3.08 0.33 -1.09 -0.21 -0.85 -5.10 119.66 113.43 3ib3 s GLN 391 Ca 0.26 -0.50 -0.10 0.00 0.02 0.00 0.00 55.36 55.03 3ib3 s GLN 391 Cb 0.19 -2.74 0.02 0.00 1.00 0.00 0.00 33.01 31.48 3ib3 s GLN 391 CO 0.49 0.55 0.59 0.16 -2.12 0.00 0.00 175.29 174.96 3ib3 s ASP 392 N -0.48 0.31 -0.03 5.90 1.47 -1.26 -4.56 116.67 118.02 3ib3 s ASP 392 Ca 0.08 -1.18 0.06 0.00 1.18 0.00 0.00 52.55 52.68 3ib3 s ASP 392 Cb -0.12 0.70 -0.01 0.00 -0.34 0.00 0.00 42.92 43.15 3ib3 s ASP 392 CO 0.02 -1.38 -0.20 0.68 0.68 0.00 0.00 175.17 174.98 3ib3 s VAL 393 N -3.15 1.57 0.26 2.11 -7.23 -0.78 -4.91 120.40 108.28 3ib3 s VAL 393 Ca 0.23 -0.83 0.11 0.00 -1.81 0.00 0.00 61.98 59.68 3ib3 s VAL 393 Cb -0.02 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 3ib3 s VAL 393 CO 0.14 0.45 -0.15 -0.44 -0.31 0.00 0.00 175.10 174.79 3ib3 s SER 394 N -0.28 3.85 -0.06 4.85 0.01 -1.26 -1.37 113.70 119.44 3ib3 s SER 394 Ca 0.03 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 3ib3 s SER 394 Cb -0.09 -0.46 0.04 0.00 0.21 0.00 0.00 66.02 65.72 3ib3 s SER 394 CO 0.01 0.04 0.13 -0.36 0.41 0.00 0.00 173.24 173.47 3ib3 s PHE 395 N -2.32 -0.13 0.07 2.43 0.08 -0.21 -4.70 117.98 113.21 3ib3 s PHE 395 Ca 0.29 0.45 0.07 0.00 0.12 0.00 0.00 56.93 57.86 3ib3 s PHE 395 Cb -0.06 -0.18 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 3ib3 s PHE 395 CO 0.16 -0.18 -0.20 0.15 -0.10 0.00 0.00 175.22 175.05 3ib3 s LYS 396 N 1.50 1.19 -0.05 0.44 1.02 -0.96 -0.66 119.74 122.22 3ib3 s LYS 396 Ca -0.05 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.92 3ib3 s LYS 396 Cb -0.12 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 35.86 3ib3 s LYS 396 CO -0.05 0.33 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.20 3ib3 s TYR 397 N -1.00 0.73 -0.20 3.18 5.04 -0.01 -1.62 117.35 123.47 3ib3 s TYR 397 Ca 0.06 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.40 3ib3 s TYR 397 Cb -0.09 -0.70 -0.04 0.00 0.35 0.00 0.00 41.96 41.47 3ib3 s TYR 397 CO 0.03 -0.23 0.08 0.99 -1.34 0.00 0.00 175.55 175.07 3ib3 s THR 398 N 1.19 4.75 0.14 4.34 2.01 -1.26 -0.08 115.64 126.73 3ib3 s THR 398 Ca -0.07 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.62 3ib3 s THR 398 Cb -0.14 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3ib3 s THR 398 CO -0.01 0.42 0.83 -0.36 -0.69 0.00 0.00 174.62 174.81 3ib3 s PHE 399 N 0.72 3.87 -1.60 4.92 0.08 -0.39 -4.92 117.98 120.67 3ib3 s PHE 399 Ca 0.04 1.68 0.24 0.00 0.12 0.00 0.00 56.93 59.01 3ib3 s PHE 399 Cb -0.13 -2.86 0.33 0.00 -0.57 0.00 0.00 43.02 39.79 3ib3 s PHE 399 CO 0.02 0.40 1.30 -0.40 -0.10 0.00 0.00 175.22 176.44 3ib3 n ASP 400 N 2.03 1.24 -3.90 1.36 5.68 -1.26 -0.23 116.55 121.46 3ib3 n ASP 400 Ca -0.03 -0.99 -0.11 0.00 -0.50 0.00 0.00 54.79 53.16 3ib3 n ASP 400 Cb 0.49 0.39 -0.11 0.00 -1.14 0.00 0.00 41.12 40.75 3ib3 n ASP 400 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3ib3 s LYS 401 N -2.65 0.34 -0.00 0.11 -2.85 -1.26 -4.77 119.74 108.65 3ib3 s LYS 401 Ca 0.18 -0.35 -0.38 0.00 -1.00 0.00 0.00 55.97 54.42 3ib3 s LYS 401 Cb 0.18 0.14 -0.17 0.00 -2.06 0.00 0.00 37.83 35.92 3ib3 s LYS 401 CO 0.62 -0.07 1.36 -0.25 0.10 0.00 0.00 175.35 177.11 3ib3 n ASP 402 N 1.86 1.43 -3.81 0.03 9.92 -1.26 -4.08 116.55 120.63 3ib3 n ASP 402 Ca -0.21 1.12 -0.13 0.00 -0.53 0.00 0.00 54.79 55.04 3ib3 n ASP 402 Cb 0.56 -1.12 -0.14 0.00 -0.64 0.00 0.00 41.12 39.78 3ib3 n ASP 402 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3ib3 s THR 403 N 0.92 -0.03 -0.15 -3.53 2.01 0.11 -4.88 115.64 110.09 3ib3 s THR 403 Ca 0.88 0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.93 3ib3 s THR 403 Cb -1.05 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3ib3 s THR 403 CO 0.53 0.04 0.03 -1.61 -0.69 0.00 0.00 174.62 172.92 3ib3 s GLU 404 N 0.54 3.62 -0.21 4.92 2.02 -1.26 0.00 118.70 128.33 3ib3 s GLU 404 Ca -0.04 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.59 3ib3 s GLU 404 Cb -0.06 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.16 3ib3 s GLU 404 CO -0.02 0.42 -0.15 -0.51 0.02 0.00 0.00 175.26 175.03 3ib3 s LEU 405 N -0.08 2.60 -0.13 1.80 1.43 -0.02 -2.32 118.68 121.96 3ib3 s LEU 405 Ca 0.05 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 3ib3 s LEU 405 Cb -0.12 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.69 3ib3 s LEU 405 CO 0.01 -0.10 0.01 -0.69 0.23 0.00 0.00 176.35 175.82 3ib3 s VAL 406 N 1.25 0.48 -4.39 -1.59 1.01 -0.66 -1.41 120.40 115.09 3ib3 s VAL 406 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3ib3 s VAL 406 Cb -0.16 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3ib3 s VAL 406 CO -0.09 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3ib3 n GLY 407 N 5.09 0.92 0.00 4.51 0.00 -0.28 -4.76 105.19 110.67 3ib3 n GLY 407 Ca -0.08 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3ib3 n GLY 407 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ib3 n ASN 408 N 0.61 -0.18 -3.16 1.61 3.02 -1.26 -2.13 115.26 113.77 3ib3 n ASN 408 Ca 0.00 -0.29 0.05 0.00 -0.03 0.00 0.00 54.58 54.31 3ib3 n ASN 408 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3ib3 n ASN 408 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ib3 s ASN 410 N -1.24 -0.79 -0.41 6.41 2.47 -1.02 -4.15 114.94 116.22 3ib3 s ASN 410 Ca 0.00 0.52 -0.23 0.00 0.42 0.00 0.00 52.86 53.57 3ib3 s ASN 410 Cb 0.00 1.67 0.02 0.00 -1.45 0.00 0.00 41.25 41.49 3ib3 s ASN 410 CO 0.00 -0.15 0.78 -0.22 -3.72 0.00 0.00 177.10 173.79 3ib3 s LEU 411 N 2.90 4.19 -0.35 3.21 2.96 -0.56 -0.74 118.68 130.30 3ib3 s LEU 411 Ca 0.06 0.11 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 3ib3 s LEU 411 Cb -0.12 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 3ib3 s LEU 411 CO -0.15 -0.82 0.26 -0.75 -1.32 0.00 0.00 176.35 173.57 3ib3 s LYS 412 N 3.19 3.45 0.10 1.98 2.47 0.10 0.07 119.74 131.11 3ib3 s LYS 412 Ca 0.30 -0.66 0.09 0.00 -1.56 0.00 0.00 55.97 54.15 3ib3 s LYS 412 Cb -0.13 -3.83 -0.04 0.00 -1.46 0.00 0.00 37.83 32.38 3ib3 s LYS 412 CO 0.20 -0.48 -0.24 -0.51 0.16 0.00 0.00 175.35 174.48 3ib3 s LEU 413 N 1.75 2.29 -0.18 5.43 1.43 0.03 -0.24 118.68 129.19 3ib3 s LEU 413 Ca 0.07 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 3ib3 s LEU 413 Cb -0.17 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3ib3 s LEU 413 CO 0.11 0.13 0.09 0.26 0.23 0.00 0.00 176.35 177.17 3ib3 s TRP 414 N -1.06 3.34 0.06 0.29 0.52 -1.26 -0.36 118.94 120.48 3ib3 s TRP 414 Ca 0.10 0.23 -0.06 0.00 0.02 0.00 0.00 56.10 56.39 3ib3 s TRP 414 Cb -0.10 -2.08 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 3ib3 s TRP 414 CO 0.05 0.29 0.10 0.14 0.02 0.00 0.00 176.95 177.55 3ib3 s VAL 415 N 0.13 0.15 0.09 4.03 -7.23 -0.29 -0.40 120.40 116.88 3ib3 s VAL 415 Ca 0.07 -1.27 -0.26 0.00 -1.81 0.00 0.00 61.98 58.71 3ib3 s VAL 415 Cb -0.12 -1.18 0.08 0.00 0.56 0.00 0.00 36.38 35.72 3ib3 s VAL 415 CO -0.00 -0.70 0.67 -0.94 -0.31 0.00 0.00 175.10 173.82 3ib3 s SER 416 N -2.54 -0.55 0.03 4.85 1.04 -1.26 -0.06 113.70 115.21 3ib3 s SER 416 Ca 0.01 0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3ib3 s SER 416 Cb 0.03 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 3ib3 s SER 416 CO -0.08 -0.83 0.01 0.28 0.98 0.00 0.00 173.24 173.60 3ib3 s THR 417 N -3.10 0.14 -0.04 2.02 -1.32 -1.26 -4.61 115.64 107.46 3ib3 s THR 417 Ca -0.01 -1.16 0.03 0.00 -1.21 0.00 0.00 61.69 59.34 3ib3 s THR 417 Cb -0.01 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 3ib3 s THR 417 CO -0.08 -0.64 0.00 2.29 -2.21 0.00 0.00 174.62 173.99 3ib3 n LYS 418 N 1.04 2.88 0.00 7.08 2.85 -1.26 -4.46 118.16 126.29 3ib3 n LYS 418 Ca -0.20 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.21 3ib3 n LYS 418 Cb 0.57 -1.10 0.72 0.00 -0.65 0.00 0.00 35.03 34.57 3ib3 n LYS 418 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ib3 n ASP 419 N -2.22 0.65 -4.05 -5.58 8.00 -1.26 -4.82 116.55 107.27 3ib3 n ASP 419 Ca -0.07 -1.08 -0.09 0.00 0.71 0.00 0.00 54.79 54.26 3ib3 n ASP 419 Cb 0.62 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.62 3ib3 n ASP 419 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ib3 s SER 420 N -2.11 0.21 0.00 -2.24 0.15 -1.26 -4.80 113.70 103.65 3ib3 s SER 420 Ca 0.40 -1.03 0.13 0.00 0.70 0.00 0.00 55.95 56.15 3ib3 s SER 420 Cb 0.21 0.35 0.38 0.00 -1.71 0.00 0.00 66.02 65.25 3ib3 s SER 420 CO 0.38 -0.78 1.32 -0.90 1.20 0.00 0.00 173.24 174.46 3ib3 n ASP 421 N -0.12 2.30 0.00 5.45 5.75 -1.26 -4.71 116.55 123.96 3ib3 n ASP 421 Ca -0.07 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 3ib3 n ASP 421 Cb 0.63 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3ib3 n ASP 421 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3ib3 n ASP 422 N 0.76 0.00 -3.49 -1.12 -0.08 -1.26 -0.05 116.55 111.31 3ib3 n ASP 422 Ca 0.14 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.35 3ib3 n ASP 422 Cb 0.36 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 3ib3 n ASP 422 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3ib3 s ASP 424 N 1.75 -0.23 -0.13 1.67 1.01 -1.26 -4.59 116.67 114.88 3ib3 s ASP 424 Ca 0.00 0.72 -0.02 0.00 0.71 0.00 0.00 52.55 53.96 3ib3 s ASP 424 Cb 0.00 1.40 -0.02 0.00 1.01 0.00 0.00 42.92 45.31 3ib3 s ASP 424 CO 0.00 -0.26 -0.07 -0.76 0.21 0.00 0.00 175.17 174.29 3ib3 s LEU 425 N 2.63 3.10 -0.24 1.23 1.43 -0.70 -4.52 118.68 121.60 3ib3 s LEU 425 Ca 0.06 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3ib3 s LEU 425 Cb -0.14 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3ib3 s LEU 425 CO -0.15 0.21 -0.06 -0.36 0.23 0.00 0.00 176.35 176.21 3ib3 s PHE 426 N 0.13 3.02 0.04 0.29 0.08 -0.54 -1.38 117.98 119.62 3ib3 s PHE 426 Ca -0.03 -1.40 0.05 0.00 0.12 0.00 0.00 56.93 55.67 3ib3 s PHE 426 Cb -0.14 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3ib3 s PHE 426 CO 0.03 -0.69 -0.12 0.00 -0.10 0.00 0.00 175.22 174.34 3ib3 s ALA 427 N 1.36 2.84 0.05 5.36 0.00 0.39 -1.07 121.76 130.69 3ib3 s ALA 427 Ca 0.02 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 3ib3 s ALA 427 Cb -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3ib3 s ALA 427 CO -0.05 0.60 0.19 0.20 0.00 0.00 0.00 175.76 176.70 3ib3 s GLY 428 N -1.57 0.06 -0.09 0.00 0.00 -0.51 -1.79 107.32 103.42 3ib3 s GLY 428 Ca 0.17 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.55 3ib3 s GLY 428 CO 0.08 -0.56 -0.22 -0.42 0.00 0.00 0.00 173.10 171.98 3ib3 s ILE 429 N -2.89 1.91 0.15 0.90 -1.09 0.15 -1.66 121.20 118.67 3ib3 s ILE 429 Ca -0.03 -0.94 0.10 0.00 -2.23 0.00 0.00 60.65 57.55 3ib3 s ILE 429 Cb 0.00 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 3ib3 s ILE 429 CO -0.06 0.53 -0.22 -0.54 -1.23 0.00 0.00 174.94 173.42 3ib3 s LYS 430 N 0.33 1.33 -0.09 2.79 1.02 -0.48 -0.34 119.74 124.30 3ib3 s LYS 430 Ca -0.17 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 54.45 3ib3 s LYS 430 Cb -0.17 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 3ib3 s LYS 430 CO 0.08 0.34 -0.09 0.21 -0.92 0.00 0.00 175.35 174.97 3ib3 s LYS 431 N -2.44 2.98 -0.11 1.68 2.20 -1.26 -1.75 119.74 121.03 3ib3 s LYS 431 Ca 0.15 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 3ib3 s LYS 431 Cb -0.08 -2.60 -0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3ib3 s LYS 431 CO 0.07 0.49 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.84 3ib3 s LEU 432 N -0.36 2.30 0.94 5.43 1.02 -0.38 0.03 118.68 127.67 3ib3 s LEU 432 Ca 0.05 -0.49 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 3ib3 s LEU 432 Cb -0.12 -1.48 0.17 0.00 0.02 0.00 0.00 46.19 44.77 3ib3 s LEU 432 CO 0.02 0.15 1.24 1.51 0.02 0.00 0.00 176.35 179.30 3ib3 s ASP 433 N 0.39 3.35 0.58 2.29 1.47 0.11 -1.18 116.67 123.67 3ib3 s ASP 433 Ca -0.15 0.54 0.28 0.00 1.18 0.00 0.00 52.55 54.40 3ib3 s ASP 433 Cb -0.17 -0.79 1.51 0.00 -0.34 0.00 0.00 42.92 43.13 3ib3 s ASP 433 CO 0.07 -2.61 1.96 0.03 0.68 0.00 0.00 175.17 175.30 3ib3 h ARG 434 N -1.55 0.00 0.00 2.11 3.08 -1.89 0.17 114.38 116.30 3ib3 h ARG 434 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3ib3 h ARG 434 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ib3 h ARG 434 CO 0.49 0.00 -0.03 0.54 -1.07 0.00 0.00 179.97 179.89 3ib3 n ARG 435 N -3.87 0.17 -0.16 0.04 3.00 -1.26 -4.91 116.66 109.67 3ib3 n ARG 435 Ca 0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 58.04 3ib3 n ARG 435 Cb 0.58 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.36 3ib3 n ARG 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ib3 n GLY 436 N 1.38 0.91 3.86 -0.13 0.00 0.60 -5.09 105.19 106.72 3ib3 n GLY 436 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ib3 n GLY 436 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ib3 s ASN 437 N -2.03 6.54 0.37 1.61 0.01 -1.26 -4.72 114.94 115.47 3ib3 s ASN 437 Ca 0.00 0.65 -0.27 0.00 -0.71 0.00 0.00 52.86 52.52 3ib3 s ASN 437 Cb 0.00 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 3ib3 s ASN 437 CO 0.00 0.37 1.33 -0.70 -1.51 0.00 0.00 177.10 176.59 3ib3 s GLU 438 N -1.00 4.16 -0.33 -0.60 2.12 -1.26 -0.72 118.70 121.08 3ib3 s GLU 438 Ca 0.18 2.24 -0.13 0.00 0.36 0.00 0.00 54.97 57.62 3ib3 s GLU 438 Cb -0.14 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 3ib3 s GLU 438 CO 0.07 -0.36 0.27 0.08 -0.54 0.00 0.00 175.26 174.79 3ib3 s VAL 439 N -1.19 5.25 0.23 3.70 1.01 0.11 -4.85 120.40 124.65 3ib3 s VAL 439 Ca 0.53 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 3ib3 s VAL 439 Cb -0.40 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3ib3 s VAL 439 CO 0.53 0.02 0.64 0.20 0.00 0.00 0.00 175.10 176.48 3ib3 s ASN 440 N 1.73 6.82 0.16 3.32 0.02 -1.26 -4.47 114.94 121.25 3ib3 s ASN 440 Ca 0.08 1.17 0.08 0.00 -1.02 0.00 0.00 52.86 53.17 3ib3 s ASN 440 Cb -0.17 -2.32 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 3ib3 s ASN 440 CO 0.11 -0.03 -0.17 -0.36 0.02 0.00 0.00 177.10 176.66 3ib3 s PHE 441 N -1.69 1.76 0.25 2.20 0.08 -0.88 -3.20 117.98 116.50 3ib3 s PHE 441 Ca 0.45 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 3ib3 s PHE 441 Cb -0.13 -0.88 -0.14 0.00 -0.57 0.00 0.00 43.02 41.30 3ib3 s PHE 441 CO 0.20 0.31 1.19 -2.30 -0.10 0.00 0.00 175.22 174.51 3ib3 n PRO 442 N 0.28 1.59 -3.96 0.24 -0.02 -1.26 -0.79 135.00 131.08 3ib3 n PRO 442 Ca -0.13 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3ib3 n PRO 442 Cb 0.57 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.97 3ib3 n PRO 442 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ib3 s ASP 443 N -0.16 0.50 0.31 2.55 -1.08 -0.43 -4.42 116.67 113.94 3ib3 s ASP 443 Ca 0.64 -1.32 -0.27 0.00 -0.52 0.00 0.00 52.55 51.08 3ib3 s ASP 443 Cb -0.71 0.75 -0.10 0.00 -1.46 0.00 0.00 42.92 41.41 3ib3 s ASP 443 CO 0.56 -1.48 0.95 0.12 0.52 0.00 0.00 175.17 175.83 3ib3 s PHE 444 N -2.71 3.73 -0.41 -5.34 5.36 -0.96 -0.75 117.98 116.91 3ib3 s PHE 444 Ca 0.23 1.80 -0.15 0.00 -0.96 0.00 0.00 56.93 57.85 3ib3 s PHE 444 Cb -0.03 -2.94 0.02 0.00 -0.34 0.00 0.00 43.02 39.73 3ib3 s PHE 444 CO 0.16 0.22 0.33 1.21 -1.46 0.00 0.00 175.22 175.68 3ib3 s ASN 445 N -1.54 6.13 -1.39 6.13 2.47 -1.26 -4.41 114.94 121.07 3ib3 s ASN 445 Ca 0.49 -0.80 -0.14 0.00 0.42 0.00 0.00 52.86 52.83 3ib3 s ASN 445 Cb -0.20 -2.17 0.02 0.00 -1.45 0.00 0.00 41.25 37.44 3ib3 s ASN 445 CO 0.25 -0.46 0.34 1.41 -3.72 0.00 0.00 177.10 174.92 3ib3 n HIS 446 N 5.26 -1.39 -3.83 0.43 8.25 -0.93 -4.50 115.22 118.52 3ib3 n HIS 446 Ca -0.10 0.41 -0.31 0.00 -0.26 0.00 0.00 57.72 57.46 3ib3 n HIS 446 Cb 0.47 -2.94 -0.04 0.00 1.12 0.00 0.00 29.99 28.60 3ib3 n HIS 446 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ib3 s ILE 447 N -3.97 5.30 -1.25 1.59 -4.36 0.07 -4.67 121.20 113.91 3ib3 s ILE 447 Ca 0.21 -0.26 0.17 0.00 -0.26 0.00 0.00 60.65 60.51 3ib3 s ILE 447 Cb -0.11 -3.64 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 3ib3 s ILE 447 CO 0.97 0.08 0.82 -0.62 0.24 0.00 0.00 174.94 176.42 3ib3 n GLU 448 N 0.12 1.56 -1.33 0.37 1.02 -1.26 -1.31 120.64 119.81 3ib3 n GLU 448 Ca -0.04 -0.48 -0.28 0.00 -0.02 0.00 0.00 57.16 56.34 3ib3 n GLU 448 Cb 0.52 -1.30 0.11 0.00 -0.02 0.00 0.00 31.44 30.74 3ib3 n GLU 448 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3ib3 n ASN 449 N -0.66 5.78 -3.69 1.62 6.94 -1.26 -4.28 115.26 119.71 3ib3 n ASN 449 Ca 0.05 -3.74 -0.25 0.00 -0.02 0.00 0.00 54.58 50.62 3ib3 n ASN 449 Cb 0.32 -0.83 0.18 0.00 -2.36 0.00 0.00 39.78 37.08 3ib3 n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ib3 n GLY 450 N -0.98 -1.36 0.00 4.83 0.00 0.03 -4.82 105.19 102.89 3ib3 n GLY 450 Ca 0.57 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3ib3 n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ib3 n GLN 451 N -3.42 2.93 -0.07 1.61 10.64 -1.26 -2.06 117.38 125.75 3ib3 n GLN 451 Ca 0.15 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.23 3ib3 n GLN 451 Cb 0.51 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.82 3ib3 n GLN 451 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3ib3 h VAL 452 N 0.39 0.76 -3.85 -0.39 2.07 -1.01 -3.40 116.25 110.82 3ib3 h VAL 452 Ca 0.00 -1.63 -0.12 0.00 0.82 0.00 0.00 66.70 65.77 3ib3 h VAL 452 Cb 0.00 1.49 -0.17 0.00 -1.52 0.00 0.00 31.29 31.09 3ib3 h VAL 452 CO 0.00 0.26 -0.51 0.00 0.02 0.00 0.00 177.57 177.33 3ib3 s ALA 453 N -2.43 -0.03 0.02 1.67 0.00 -1.04 -4.81 121.76 115.13 3ib3 s ALA 453 Ca -0.12 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3ib3 s ALA 453 Cb -0.00 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3ib3 s ALA 453 CO 0.35 -0.36 -0.01 0.99 0.00 0.00 0.00 175.76 176.73 3ib3 s THR 454 N -2.98 0.09 0.18 0.00 2.01 -1.26 -0.68 115.64 113.01 3ib3 s THR 454 Ca -0.02 -0.77 -0.23 0.00 0.31 0.00 0.00 61.69 60.98 3ib3 s THR 454 Cb 0.01 -0.24 0.06 0.00 0.01 0.00 0.00 72.50 72.33 3ib3 s THR 454 CO -0.06 -0.42 0.70 -0.83 -0.69 0.00 0.00 174.62 173.31 3ib3 s GLY 455 N -1.26 -0.40 0.04 4.40 0.00 -0.74 -1.56 107.32 107.80 3ib3 s GLY 455 Ca -0.14 0.24 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3ib3 s GLY 455 CO -0.01 0.08 0.00 -0.98 0.00 0.00 0.00 173.10 172.20 3ib3 s TRP 456 N -3.71 0.37 -0.30 1.90 0.51 -1.26 -0.46 118.94 115.99 3ib3 s TRP 456 Ca 0.06 -0.80 -0.06 0.00 -2.12 0.00 0.00 56.10 53.17 3ib3 s TRP 456 Cb -0.03 -0.28 0.17 0.00 -0.81 0.00 0.00 33.47 32.53 3ib3 s TRP 456 CO -0.05 -0.34 0.70 -1.17 -0.51 0.00 0.00 176.95 175.58 3ib3 s LEU 457 N -2.39 -1.15 -0.18 2.99 2.96 -0.48 -3.97 118.68 116.46 3ib3 s LEU 457 Ca -0.01 1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.62 3ib3 s LEU 457 Cb 0.01 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.77 3ib3 s LEU 457 CO -0.07 -0.22 1.39 -0.60 -1.32 0.00 0.00 176.35 175.53 3ib3 s ARG 458 N 2.85 4.11 0.42 1.98 3.52 0.66 -1.73 118.95 130.75 3ib3 s ARG 458 Ca 0.09 1.68 0.12 0.00 -0.13 0.00 0.00 55.73 57.49 3ib3 s ARG 458 Cb -0.13 -3.86 0.90 0.00 -1.56 0.00 0.00 34.95 30.30 3ib3 s ARG 458 CO -0.19 -0.88 1.97 0.28 -0.81 0.00 0.00 175.30 175.67 3ib3 h VAL 459 N 5.68 1.14 0.00 7.11 2.07 -1.95 0.22 116.25 130.52 3ib3 h VAL 459 Ca -0.30 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3ib3 h VAL 459 Cb 1.12 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3ib3 h VAL 459 CO 0.98 0.19 0.00 0.77 0.02 0.00 0.00 177.57 179.54 3ib3 h SER 460 N 0.14 0.00 -0.42 0.57 4.64 -1.91 -1.13 113.55 115.45 3ib3 h SER 460 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ib3 h SER 460 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ib3 h SER 460 CO 0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 3ib3 n HIS 461 N -2.91 1.36 0.36 4.77 8.25 0.76 -0.04 115.22 127.77 3ib3 n HIS 461 Ca -0.02 -0.49 0.04 0.00 -0.26 0.00 0.00 57.72 56.99 3ib3 n HIS 461 Cb 0.11 -0.34 0.20 0.00 1.12 0.00 0.00 29.99 31.08 3ib3 n HIS 461 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3ib3 n ARG 462 N 0.53 0.09 -2.02 -0.41 1.85 -0.43 -4.61 116.66 111.66 3ib3 n ARG 462 Ca 0.19 0.25 -0.42 0.00 -1.00 0.00 0.00 57.85 56.87 3ib3 n ARG 462 Cb 0.85 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.73 3ib3 n ARG 462 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3ib3 s GLU 463 N -2.67 4.23 0.07 2.89 2.12 -1.26 -4.81 118.70 119.26 3ib3 s GLU 463 Ca 0.07 2.22 -0.29 0.00 0.36 0.00 0.00 54.97 57.33 3ib3 s GLU 463 Cb 0.05 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 3ib3 s GLU 463 CO 0.13 -0.66 0.91 -0.51 -0.54 0.00 0.00 175.26 174.59 3ib3 s LEU 464 N 2.31 4.45 -0.59 2.70 1.43 -1.26 -1.59 118.68 126.13 3ib3 s LEU 464 Ca 0.70 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 55.19 3ib3 s LEU 464 Cb -0.38 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.37 3ib3 s LEU 464 CO 0.30 -0.09 1.48 -0.62 0.23 0.00 0.00 176.35 177.66 3ib3 s ASP 465 N 0.22 5.98 0.09 2.29 -1.08 0.12 -4.74 116.67 119.54 3ib3 s ASP 465 Ca 0.45 0.22 -0.21 0.00 -0.52 0.00 0.00 52.55 52.49 3ib3 s ASP 465 Cb -0.22 -2.54 -0.11 0.00 -1.46 0.00 0.00 42.92 38.58 3ib3 s ASP 465 CO 0.27 -1.84 1.66 1.56 0.52 0.00 0.00 175.17 177.34 3ib3 h GLN 466 N 11.63 0.17 -0.57 4.34 1.08 -1.93 0.28 115.11 130.11 3ib3 h GLN 466 Ca -0.27 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.02 3ib3 h GLN 466 Cb 1.10 -0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 28.39 3ib3 h GLN 466 CO 1.19 0.22 -0.23 0.93 -0.95 0.00 0.00 178.83 180.00 3ib3 h GLU 467 N 0.07 -0.09 -0.00 1.46 5.08 -1.97 -2.96 114.58 116.17 3ib3 h GLU 467 Ca 0.04 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ib3 h GLU 467 Cb 0.11 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ib3 h GLU 467 CO -0.01 -0.06 -0.52 1.63 -1.00 0.00 0.00 179.01 179.06 3ib3 n LYS 468 N -5.43 0.43 -2.83 2.33 5.02 -1.04 -4.92 118.16 111.71 3ib3 n LYS 468 Ca 0.05 -0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 55.73 3ib3 n LYS 468 Cb 0.33 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 3ib3 n LYS 468 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3ib3 s SER 469 N -2.77 6.69 0.29 4.39 0.01 0.06 -4.53 113.70 117.84 3ib3 s SER 469 Ca 0.16 1.37 0.04 0.00 1.31 0.00 0.00 55.95 58.83 3ib3 s SER 469 Cb 0.18 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 3ib3 s SER 469 CO 0.66 -0.37 0.22 -0.94 0.41 0.00 0.00 173.24 173.22 3ib3 s SER 470 N -2.69 1.17 0.30 2.44 1.04 -0.64 -4.93 113.70 110.39 3ib3 s SER 470 Ca 0.56 -1.63 -0.02 0.00 0.48 0.00 0.00 55.95 55.34 3ib3 s SER 470 Cb -0.10 0.49 0.44 0.00 0.10 0.00 0.00 66.02 66.95 3ib3 s SER 470 CO 0.24 -0.98 1.97 -0.29 0.98 0.00 0.00 173.24 175.15 3ib3 h ILE 471 N 2.30 1.21 0.00 -1.02 6.09 -2.02 -3.13 117.51 120.94 3ib3 h ILE 471 Ca -0.29 -0.39 -0.23 0.00 -1.37 0.00 0.00 64.86 62.59 3ib3 h ILE 471 Cb 1.24 -0.02 -0.04 0.00 0.47 0.00 0.00 36.82 38.47 3ib3 h ILE 471 CO 0.42 0.21 -2.02 0.00 -3.07 0.00 0.00 178.15 173.69 3ib3 n ALA 472 N -2.41 1.92 -3.81 0.18 0.00 -1.26 -4.65 120.51 110.48 3ib3 n ALA 472 Ca 0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 3ib3 n ALA 472 Cb 0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 3ib3 n ALA 472 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ib3 s GLN 473 N -2.85 0.97 0.46 0.00 0.74 -1.18 -3.07 119.66 114.72 3ib3 s GLN 473 Ca -0.07 -1.09 -0.23 0.00 0.05 0.00 0.00 55.36 54.02 3ib3 s GLN 473 Cb 0.09 -2.28 -0.07 0.00 1.10 0.00 0.00 33.01 31.84 3ib3 s GLN 473 CO 0.84 -0.87 1.18 -1.25 -0.55 0.00 0.00 175.29 174.65 3ib3 s PRO 474 N 1.51 3.76 -0.17 1.67 0.04 -1.26 -1.62 135.00 138.94 3ib3 s PRO 474 Ca 0.06 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3ib3 s PRO 474 Cb -0.18 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.93 3ib3 s PRO 474 CO -0.17 -0.56 -0.17 -0.46 0.04 0.00 0.00 177.00 175.68 3ib3 s TRP 475 N -1.51 2.79 -0.11 0.56 -0.11 -1.26 -4.80 118.94 114.49 3ib3 s TRP 475 Ca 0.63 -1.31 -0.10 0.00 1.22 0.00 0.00 56.10 56.54 3ib3 s TRP 475 Cb -0.30 -1.92 -0.05 0.00 -1.50 0.00 0.00 33.47 29.71 3ib3 s TRP 475 CO 0.36 -0.64 0.21 -1.01 -4.62 0.00 0.00 176.95 171.26 3ib3 s HIS 476 N 1.09 3.58 0.12 5.86 3.76 -1.26 0.14 115.29 128.58 3ib3 s HIS 476 Ca -0.00 0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 55.35 3ib3 s HIS 476 Cb -0.14 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 3ib3 s HIS 476 CO -0.06 0.60 1.58 0.87 -0.85 0.00 0.00 174.74 176.88 3ib3 h LYS 477 N 5.38 0.60 -5.97 1.40 1.57 -1.58 -3.44 116.57 114.53 3ib3 h LYS 477 Ca -0.51 -0.17 -0.42 0.00 -1.87 0.00 0.00 60.65 57.69 3ib3 h LYS 477 Cb 1.21 -0.07 0.09 0.00 0.08 0.00 0.00 32.23 33.54 3ib3 h LYS 477 CO 0.63 0.68 -0.71 0.72 -0.57 0.00 0.00 179.45 180.21 3ib3 n HIS 478 N -4.55 -2.71 -0.00 -1.35 8.25 -1.26 -4.77 115.22 108.83 3ib3 n HIS 478 Ca -0.01 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.43 3ib3 n HIS 478 Cb 0.24 -4.76 -0.00 0.00 1.12 0.00 0.00 29.99 26.59 3ib3 n HIS 478 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ib3 n GLU 479 N -4.89 0.73 -4.15 -0.41 1.02 -1.26 -1.03 120.64 110.63 3ib3 n GLU 479 Ca 0.01 -0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.90 3ib3 n GLU 479 Cb 0.56 -1.00 -0.17 0.00 -0.02 0.00 0.00 31.44 30.80 3ib3 n GLU 479 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ib3 s THR 480 N -2.01 0.92 -0.37 2.62 2.01 -1.26 -4.99 115.64 112.56 3ib3 s THR 480 Ca -0.00 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 3ib3 s THR 480 Cb 0.00 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.61 3ib3 s THR 480 CO 0.01 0.33 0.98 -1.61 -0.69 0.00 0.00 174.62 173.64 3ib3 s GLU 481 N 1.27 3.87 -1.14 4.92 2.02 -1.26 -4.58 118.70 123.80 3ib3 s GLU 481 Ca -0.04 0.68 -0.10 0.00 0.02 0.00 0.00 54.97 55.53 3ib3 s GLU 481 Cb -0.14 -3.80 0.26 0.00 0.10 0.00 0.00 34.13 30.55 3ib3 s GLU 481 CO -0.03 -0.99 1.20 1.28 0.02 0.00 0.00 175.26 176.74 3ib3 n LEU 482 N 6.93 5.48 -4.69 1.80 4.77 0.95 -5.01 117.00 127.22 3ib3 n LEU 482 Ca 0.09 -4.91 -0.31 0.00 -0.03 0.00 0.00 56.01 50.85 3ib3 n LEU 482 Cb 0.48 -1.51 0.15 0.00 -2.33 0.00 0.00 43.42 40.21 3ib3 n LEU 482 CO 0.60 1.22 0.68 -0.54 -1.33 0.00 0.00 177.39 178.02 3ib3 s LYS 483 N -0.68 1.29 -0.17 3.23 -0.14 -1.26 -4.41 119.74 117.59 3ib3 s LYS 483 Ca 0.34 1.41 -0.05 0.00 -1.36 0.00 0.00 55.97 56.31 3ib3 s LYS 483 Cb -0.08 -1.77 -0.03 0.00 -1.68 0.00 0.00 37.83 34.27 3ib3 s LYS 483 CO -0.06 -2.40 -0.01 -0.51 -0.76 0.00 0.00 175.35 171.62 3ib3 s LEU 484 N -6.44 3.38 0.47 3.17 1.43 0.93 -5.03 118.68 116.59 3ib3 s LEU 484 Ca 0.65 -0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 3ib3 s LEU 484 Cb -0.21 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 3ib3 s LEU 484 CO 0.58 0.15 0.98 -0.94 0.23 0.00 0.00 176.35 177.35 3ib3 s SER 485 N 0.47 6.71 0.33 2.29 1.04 -1.26 -4.11 113.70 119.16 3ib3 s SER 485 Ca -0.02 1.71 -0.14 0.00 0.48 0.00 0.00 55.95 57.98 3ib3 s SER 485 Cb -0.14 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.36 3ib3 s SER 485 CO 0.02 -0.52 0.73 0.00 0.98 0.00 0.00 173.24 174.44 3ib3 s GLN 486 N -3.45 3.95 -0.97 4.02 -2.07 -1.26 -0.22 119.66 119.66 3ib3 s GLN 486 Ca 0.62 0.61 -0.12 0.00 -1.82 0.00 0.00 55.36 54.65 3ib3 s GLN 486 Cb -0.11 -2.44 0.24 0.00 -1.09 0.00 0.00 33.01 29.61 3ib3 s GLN 486 CO 0.20 0.14 0.96 -0.51 -1.32 0.00 0.00 175.29 174.76 3ib3 s ASP 487 N -2.41 7.01 0.06 12.60 1.01 -1.26 -5.07 116.67 128.61 3ib3 s ASP 487 Ca 0.53 -3.06 -0.30 0.00 0.71 0.00 0.00 52.55 50.44 3ib3 s ASP 487 Cb -0.10 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3ib3 s ASP 487 CO 0.20 -0.48 0.96 -0.70 0.21 0.00 0.00 175.17 175.35 3ib3 s GLU 488 N -0.27 4.63 -0.27 8.23 2.12 0.69 -4.93 118.70 128.89 3ib3 s GLU 488 Ca 0.25 1.42 -0.13 0.00 0.36 0.00 0.00 54.97 56.87 3ib3 s GLU 488 Cb -0.09 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3ib3 s GLU 488 CO -0.08 0.09 0.27 0.42 -0.54 0.00 0.00 175.26 175.42 3ib3 s ILE 489 N 0.47 5.25 0.06 -3.70 1.01 -1.26 -4.10 121.20 118.93 3ib3 s ILE 489 Ca 0.49 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.55 3ib3 s ILE 489 Cb -0.22 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3ib3 s ILE 489 CO 0.29 0.22 -0.16 0.68 0.00 0.00 0.00 174.94 175.96 3ib3 s VAL 490 N 1.83 1.30 -0.00 2.92 -7.23 0.91 -4.88 120.40 115.25 3ib3 s VAL 490 Ca 0.11 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.80 3ib3 s VAL 490 Cb -0.16 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 3ib3 s VAL 490 CO 0.10 -0.01 1.00 -2.16 -0.31 0.00 0.00 175.10 173.71 3ib3 s PRO 491 N -1.38 4.54 0.13 4.82 0.04 -1.26 -1.14 135.00 140.75 3ib3 s PRO 491 Ca 0.03 1.44 0.10 0.00 0.04 0.00 0.00 61.00 62.60 3ib3 s PRO 491 Cb -0.09 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 3ib3 s PRO 491 CO 0.02 -0.08 -0.23 0.14 0.04 0.00 0.00 177.00 176.89 3ib3 s VAL 492 N 1.07 1.99 -0.15 -0.36 -7.23 0.52 -5.00 120.40 111.24 3ib3 s VAL 492 Ca 0.52 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 3ib3 s VAL 492 Cb -0.21 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.93 3ib3 s VAL 492 CO 0.28 -0.05 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.25 3ib3 s GLU 493 N -2.17 2.40 -0.16 4.82 2.02 -1.26 -0.79 118.70 123.56 3ib3 s GLU 493 Ca 0.12 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 3ib3 s GLU 493 Cb -0.09 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 3ib3 s GLU 493 CO 0.06 -0.20 0.01 0.42 0.02 0.00 0.00 175.26 175.56 3ib3 s ILE 494 N 1.37 4.31 -0.55 -1.63 1.01 0.11 -4.90 121.20 120.92 3ib3 s ILE 494 Ca 0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.20 3ib3 s ILE 494 Cb -0.13 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.46 3ib3 s ILE 494 CO -0.09 0.48 1.12 -0.70 0.00 0.00 0.00 174.94 175.75 3ib3 s GLU 495 N 0.32 3.52 -0.04 2.79 2.12 -1.26 -1.49 118.70 124.66 3ib3 s GLU 495 Ca -0.00 0.22 -0.27 0.00 0.36 0.00 0.00 54.97 55.27 3ib3 s GLU 495 Cb -0.13 -3.99 -0.03 0.00 0.26 0.00 0.00 34.13 30.23 3ib3 s GLU 495 CO 0.02 -1.56 0.86 -0.51 -0.54 0.00 0.00 175.26 173.53 3ib3 s LEU 496 N 4.62 4.33 0.64 2.70 2.01 -1.26 -4.23 118.68 127.49 3ib3 s LEU 496 Ca 0.41 1.44 -0.15 0.00 0.01 0.00 0.00 54.13 55.84 3ib3 s LEU 496 Cb -0.08 -3.36 -0.01 0.00 0.01 0.00 0.00 46.19 42.75 3ib3 s LEU 496 CO 0.26 -0.22 1.10 -0.76 1.01 0.00 0.00 176.35 177.73 3ib3 s LEU 497 N 1.06 3.42 0.23 1.79 1.43 -0.60 -4.72 118.68 121.28 3ib3 s LEU 497 Ca 0.45 1.96 -0.31 0.00 -1.03 0.00 0.00 54.13 55.20 3ib3 s LEU 497 Cb -0.19 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 41.34 3ib3 s LEU 497 CO 0.23 -1.52 1.25 -2.65 0.23 0.00 0.00 176.35 173.89 3ib3 n PRO 498 N -2.31 1.64 -3.78 1.29 -0.02 -1.26 -4.63 135.00 125.92 3ib3 n PRO 498 Ca 0.10 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 3ib3 n PRO 498 Cb 0.52 -2.13 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3ib3 n PRO 498 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ib3 s SER 499 N 0.02 -0.04 -0.15 2.55 1.04 -0.90 -4.77 113.70 111.44 3ib3 s SER 499 Ca 0.67 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 3ib3 s SER 499 Cb -0.72 0.36 0.05 0.00 0.10 0.00 0.00 66.02 65.82 3ib3 s SER 499 CO 0.53 -0.69 0.06 -0.83 0.98 0.00 0.00 173.24 173.29 3ib3 s GLY 500 N -2.47 0.49 -0.07 7.32 0.00 -1.25 -1.13 107.32 110.20 3ib3 s GLY 500 Ca -0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.25 3ib3 s GLY 500 CO -0.08 1.51 0.24 -1.59 0.00 0.00 0.00 173.10 173.18 3ib3 s THR 501 N 2.02 0.01 -0.07 0.90 2.01 -0.50 -1.41 115.64 118.59 3ib3 s THR 501 Ca 0.02 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 3ib3 s THR 501 Cb -0.16 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 3ib3 s THR 501 CO -0.08 -0.07 0.63 -0.22 -0.69 0.00 0.00 174.62 174.20 3ib3 s LEU 502 N -0.18 4.32 -0.42 4.42 2.96 -0.04 -0.84 118.68 128.89 3ib3 s LEU 502 Ca -0.03 1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.91 3ib3 s LEU 502 Cb -0.03 -2.96 0.10 0.00 0.50 0.00 0.00 46.19 43.80 3ib3 s LEU 502 CO 0.01 -0.06 0.23 -0.36 -1.32 0.00 0.00 176.35 174.85 3ib3 s PHE 503 N 0.65 3.47 0.81 5.38 0.08 0.10 -4.77 117.98 123.70 3ib3 s PHE 503 Ca 0.34 -2.05 -0.14 0.00 0.12 0.00 0.00 56.93 55.20 3ib3 s PHE 503 Cb -0.17 -3.15 0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3ib3 s PHE 503 CO 0.16 -0.94 1.01 1.63 -0.10 0.00 0.00 175.22 176.98 3ib3 n LYS 504 N 4.74 0.15 -1.61 0.44 5.02 -1.26 0.08 118.16 125.71 3ib3 n LYS 504 Ca -0.06 0.12 -0.53 0.00 -2.02 0.00 0.00 58.31 55.82 3ib3 n LYS 504 Cb 0.42 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.09 3ib3 n LYS 504 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3ib3 n GLN 505 N -2.70 1.15 -0.64 1.97 0.00 -1.26 -1.27 117.38 114.63 3ib3 n GLN 505 Ca 0.12 0.42 0.00 0.00 -0.00 0.00 0.00 57.00 57.54 3ib3 n GLN 505 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.68 3ib3 n GLN 505 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ib3 n GLY 506 N 2.86 0.77 3.96 1.69 0.00 0.68 -4.94 105.19 110.20 3ib3 n GLY 506 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3ib3 n GLY 506 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ib3 s GLU 507 N -0.36 3.45 -0.00 1.61 2.02 -0.39 -4.02 118.70 121.01 3ib3 s GLU 507 Ca 0.00 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.53 3ib3 s GLU 507 Cb 0.00 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 3ib3 s GLU 507 CO 0.00 0.26 -0.24 0.99 0.02 0.00 0.00 175.26 176.29 3ib3 s THR 508 N -2.17 1.89 -0.16 3.63 2.01 -0.32 -1.26 115.64 119.25 3ib3 s THR 508 Ca 0.38 -1.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.21 3ib3 s THR 508 Cb -0.09 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3ib3 s THR 508 CO 0.33 0.47 0.10 -0.22 -0.69 0.00 0.00 174.62 174.60 3ib3 s LEU 509 N -0.73 4.05 -0.13 4.42 0.20 0.89 -1.24 118.68 126.13 3ib3 s LEU 509 Ca 0.09 0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.15 3ib3 s LEU 509 Cb -0.09 -2.02 0.02 0.00 -0.43 0.00 0.00 46.19 43.67 3ib3 s LEU 509 CO -0.00 0.25 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.44 3ib3 s GLU 510 N -0.08 2.52 -0.04 1.98 2.12 -0.72 -0.83 118.70 123.64 3ib3 s GLU 510 Ca 0.08 -0.66 -0.17 0.00 0.36 0.00 0.00 54.97 54.58 3ib3 s GLU 510 Cb -0.12 -2.15 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 3ib3 s GLU 510 CO 0.01 -0.11 0.47 0.08 -0.54 0.00 0.00 175.26 175.17 3ib3 s VAL 511 N 1.10 5.05 -0.09 3.70 1.01 0.17 -1.38 120.40 129.96 3ib3 s VAL 511 Ca -0.03 0.97 0.03 0.00 0.00 0.00 0.00 61.98 62.95 3ib3 s VAL 511 Cb -0.14 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3ib3 s VAL 511 CO -0.05 0.45 -0.18 -0.69 0.00 0.00 0.00 175.10 174.63 3ib3 s VAL 512 N -0.24 1.64 -0.05 2.92 1.01 -0.66 -1.04 120.40 123.98 3ib3 s VAL 512 Ca 0.26 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3ib3 s VAL 512 Cb -0.16 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 3ib3 s VAL 512 CO 0.13 0.47 -0.24 -0.69 0.00 0.00 0.00 175.10 174.76 3ib3 s VAL 513 N 0.61 1.99 0.21 2.92 1.01 -0.47 -1.43 120.40 125.23 3ib3 s VAL 513 Ca -0.14 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 3ib3 s VAL 513 Cb -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3ib3 s VAL 513 CO 0.04 0.56 0.42 -0.75 0.00 0.00 0.00 175.10 175.37 3ib3 s LYS 514 N -0.27 1.38 0.00 2.72 2.20 -0.23 -1.87 119.74 123.66 3ib3 s LYS 514 Ca 0.00 -1.14 0.25 0.00 -0.36 0.00 0.00 55.97 54.72 3ib3 s LYS 514 Cb -0.12 0.45 0.49 0.00 -1.51 0.00 0.00 37.83 37.13 3ib3 s LYS 514 CO 0.02 -0.56 1.42 0.41 -0.36 0.00 0.00 175.35 176.29 3ib3 n GLY 515 N -0.32 0.42 3.63 5.54 0.00 -1.26 -1.47 105.19 111.73 3ib3 n GLY 515 Ca -0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 3ib3 n GLY 515 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ib3 n SER 516 N 0.63 -2.03 -4.67 1.61 3.41 -1.26 -4.86 113.62 106.44 3ib3 n SER 516 Ca 0.15 -2.67 -0.47 0.00 -0.26 0.00 0.00 58.87 55.63 3ib3 n SER 516 Cb 0.48 3.46 -0.04 0.00 -0.26 0.00 0.00 64.21 67.85 3ib3 n SER 516 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3ib3 n GLU 517 N -0.54 2.14 -0.02 4.33 4.07 -1.26 -4.72 120.64 124.63 3ib3 n GLU 517 Ca -0.06 0.77 -0.11 0.00 -0.06 0.00 0.00 57.16 57.70 3ib3 n GLU 517 Cb 0.59 -2.56 -0.09 0.00 -0.06 0.00 0.00 31.44 29.32 3ib3 n GLU 517 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3ib3 h ILE 518 N 4.02 1.18 -3.38 6.31 2.04 -1.95 -3.41 117.51 122.32 3ib3 h ILE 518 Ca -0.46 -1.58 -0.58 0.00 1.00 0.00 0.00 64.86 63.24 3ib3 h ILE 518 Cb 1.26 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 39.36 3ib3 h ILE 518 CO 0.90 0.35 -0.01 -0.69 0.00 0.00 0.00 178.15 178.70 3ib3 s VAL 519 N -2.85 5.10 -0.14 1.67 1.01 -1.26 -5.05 120.40 118.89 3ib3 s VAL 519 Ca -0.14 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 3ib3 s VAL 519 Cb -0.01 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3ib3 s VAL 519 CO 0.53 0.23 -0.01 -0.51 0.00 0.00 0.00 175.10 175.34 3ib3 s ILE 520 N 1.16 4.18 0.00 2.22 1.10 -1.26 -4.99 121.20 123.61 3ib3 s ILE 520 Ca 0.29 -0.27 0.00 0.00 -0.51 0.00 0.00 60.65 60.16 3ib3 s ILE 520 Cb -0.16 -2.82 0.00 0.00 0.15 0.00 0.00 42.46 39.63 3ib3 s ILE 520 CO 0.12 0.52 0.00 0.61 -2.11 0.00 0.00 174.94 174.08 3ib3 n GLY 521 N 3.09 -1.64 3.78 1.50 0.00 -1.26 -5.11 105.19 105.55 3ib3 n GLY 521 Ca -0.18 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.76 3ib3 n GLY 521 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ib3 n ASN 522 N 0.00 -1.98 -1.16 1.61 0.23 -1.26 -4.99 115.26 107.72 3ib3 n ASN 522 Ca 0.00 -2.21 0.11 0.00 -0.53 0.00 0.00 54.58 51.95 3ib3 n ASN 522 Cb 0.00 3.26 0.27 0.00 -2.08 0.00 0.00 39.78 41.23 3ib3 n ASN 522 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3ib3 n SER 523 N -1.40 3.40 -3.41 0.53 3.41 -1.26 -4.52 113.62 110.36 3ib3 n SER 523 Ca -0.05 -1.98 -0.27 0.00 -0.26 0.00 0.00 58.87 56.31 3ib3 n SER 523 Cb 0.58 -0.34 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 3ib3 n SER 523 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ib3 n THR 524 N 1.40 -0.77 -1.60 6.66 -2.24 -1.26 -4.64 114.28 111.82 3ib3 n THR 524 Ca 0.21 -3.70 -0.47 0.00 -2.27 0.00 0.00 64.05 57.82 3ib3 n THR 524 Cb 0.57 -1.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 3ib3 n THR 524 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ib3 n PRO 525 N 2.49 1.36 -2.25 -0.78 -0.02 -1.26 -4.63 135.00 129.91 3ib3 n PRO 525 Ca 0.28 0.48 -0.05 0.00 -2.02 0.00 0.00 63.50 62.19 3ib3 n PRO 525 Cb 0.47 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 3ib3 n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib3 n GLY 526 N 1.75 0.25 2.34 -1.23 0.00 -1.26 -5.15 105.19 101.89 3ib3 n GLY 526 Ca 0.12 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 3ib3 n GLY 526 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ib3 n LYS 528 N -1.93 0.89 0.24 1.61 5.02 -1.26 -5.25 118.16 117.49 3ib3 n LYS 528 Ca -0.06 -2.92 0.16 0.00 -2.02 0.00 0.00 58.31 53.47 3ib3 n LYS 528 Cb 0.54 -1.44 0.61 0.00 -0.02 0.00 0.00 35.03 34.72 3ib3 n LYS 528 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3ib3 h THR 529 N 1.80 0.00 -2.37 -0.18 1.35 -1.92 -2.50 112.91 109.10 3ib3 h THR 529 Ca 0.03 -0.49 -0.53 0.00 -0.55 0.00 0.00 66.41 64.87 3ib3 h THR 529 Cb 0.98 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 68.78 3ib3 h THR 529 CO 0.41 0.00 -0.55 -0.60 -0.25 0.00 0.00 175.52 174.52 3ib3 s ARG 530 N -3.56 2.84 0.56 4.72 3.52 -1.26 -4.53 118.95 121.24 3ib3 s ARG 530 Ca 0.02 -1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 54.38 3ib3 s ARG 530 Cb 0.09 -2.54 -0.06 0.00 -1.56 0.00 0.00 34.95 30.88 3ib3 s ARG 530 CO 0.53 0.42 1.09 2.48 -0.81 0.00 0.00 175.30 179.00 3ib3 n TYR 531 N -0.88 1.31 -4.10 5.12 0.18 -1.26 -0.48 117.16 117.05 3ib3 n TYR 531 Ca -0.08 0.46 -0.08 0.00 1.88 0.00 0.00 57.90 60.07 3ib3 n TYR 531 Cb 0.57 -2.22 -0.10 0.00 -0.38 0.00 0.00 39.34 37.21 3ib3 n TYR 531 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3ib3 s GLU 532 N -2.67 0.64 -0.45 -3.48 2.02 -1.26 -4.76 118.70 108.74 3ib3 s GLU 532 Ca 0.73 -1.18 0.07 0.00 0.02 0.00 0.00 54.97 54.60 3ib3 s GLU 532 Cb -0.44 0.06 0.23 0.00 0.10 0.00 0.00 34.13 34.08 3ib3 s GLU 532 CO 0.49 -0.07 0.50 0.72 0.02 0.00 0.00 175.26 176.93 3ib3 n HIS 533 N 0.26 0.25 1.02 1.61 8.25 -1.26 0.27 115.22 125.62 3ib3 n HIS 533 Ca -0.15 -3.62 0.12 0.00 -0.26 0.00 0.00 57.72 53.81 3ib3 n HIS 533 Cb 0.60 -0.24 0.21 0.00 1.12 0.00 0.00 29.99 31.68 3ib3 n HIS 533 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ib3 n GLU 534 N 1.72 0.08 -3.42 -0.41 -0.58 -1.26 -4.60 120.64 112.17 3ib3 n GLU 534 Ca 0.24 -0.05 -0.44 0.00 -0.42 0.00 0.00 57.16 56.50 3ib3 n GLU 534 Cb 0.49 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 3ib3 n GLU 534 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3ib3 s GLU 535 N -2.96 2.80 0.11 3.49 2.02 -1.26 -5.05 118.70 117.84 3ib3 s GLU 535 Ca 0.12 -1.79 0.10 0.00 0.02 0.00 0.00 54.97 53.41 3ib3 s GLU 535 Cb 0.17 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 3ib3 s GLU 535 CO 0.71 -1.27 -0.24 -0.08 0.02 0.00 0.00 175.26 174.40 3ib3 s THR 536 N 1.38 2.01 -2.17 3.63 -1.32 -1.26 -4.61 115.64 113.30 3ib3 s THR 536 Ca 0.05 -1.63 0.18 0.00 -1.21 0.00 0.00 61.69 59.08 3ib3 s THR 536 Cb -0.27 -1.79 0.44 0.00 -1.51 0.00 0.00 72.50 69.37 3ib3 s THR 536 CO 0.01 0.05 1.42 1.33 -2.21 0.00 0.00 174.62 175.21 3ib3 n VAL 537 N 1.06 0.50 -2.66 5.08 0.24 -1.26 -4.99 118.33 116.30 3ib3 n VAL 537 Ca -0.19 -0.59 -0.39 0.00 -2.04 0.00 0.00 64.34 61.14 3ib3 n VAL 537 Cb 0.53 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 33.31 3ib3 n VAL 537 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3ib3 s ASN 538 N -1.25 7.39 -0.28 -1.34 0.01 -1.26 -4.57 114.94 113.63 3ib3 s ASN 538 Ca 0.34 2.02 -0.15 0.00 -0.71 0.00 0.00 52.86 54.36 3ib3 s ASN 538 Cb 0.18 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 39.32 3ib3 s ASN 538 CO 0.25 -0.04 0.67 -0.54 -1.51 0.00 0.00 177.10 175.93 3ib3 s LYS 539 N -1.58 0.68 0.86 -0.60 1.02 -1.26 -4.91 119.74 113.94 3ib3 s LYS 539 Ca 0.46 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.68 3ib3 s LYS 539 Cb -0.25 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 3ib3 s LYS 539 CO 0.32 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3ib3 n GLY 540 N 4.45 2.29 0.00 -3.33 0.00 -1.26 -4.14 105.19 103.20 3ib3 n GLY 540 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3ib3 n GLY 540 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ib3 n HIS 542 N 0.00 0.00 -3.43 1.61 8.25 0.01 -2.15 115.22 119.50 3ib3 n HIS 542 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3ib3 n HIS 542 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3ib3 n HIS 542 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ib3 s ILE 544 N -0.81 -0.68 -0.08 1.59 -1.09 0.43 -2.11 121.20 118.45 3ib3 s ILE 544 Ca 0.00 0.00 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 3ib3 s ILE 544 Cb 0.00 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.83 3ib3 s ILE 544 CO 0.00 0.00 0.25 -0.31 -1.23 0.00 0.00 174.94 173.65 3ib3 s TYR 545 N 2.66 3.64 0.03 3.97 2.02 0.46 -0.26 117.35 129.88 3ib3 s TYR 545 Ca -0.01 0.71 -0.08 0.00 -0.37 0.00 0.00 57.07 57.32 3ib3 s TYR 545 Cb -0.09 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 3ib3 s TYR 545 CO -0.18 0.68 0.16 0.95 -1.57 0.00 0.00 175.55 175.59 3ib3 s THR 546 N -0.98 0.10 0.09 -0.71 -4.23 0.51 -4.00 115.64 106.43 3ib3 s THR 546 Ca 0.18 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 3ib3 s THR 546 Cb -0.14 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 72.95 3ib3 s THR 546 CO 0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 3ib3 n GLY 547 N 0.96 -1.99 7.00 3.99 0.00 -0.60 -0.50 105.19 114.05 3ib3 n GLY 547 Ca -0.20 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3ib3 n GLY 547 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ib3 n GLY 548 N -2.69 3.20 0.28 -0.02 0.00 0.67 -1.31 105.19 105.31 3ib3 n GLY 548 Ca -0.01 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.88 3ib3 n GLY 548 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ib3 h LYS 549 N 0.00 0.00 -4.84 1.61 2.10 -1.90 -3.38 116.57 110.16 3ib3 h LYS 549 Ca 0.00 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.94 3ib3 h LYS 549 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 3ib3 h LYS 549 CO 0.00 0.08 2.35 0.66 -2.00 0.00 0.00 179.45 180.54 3ib3 n TYR 550 N -3.56 4.16 -0.59 0.07 4.02 -0.43 -4.84 117.16 115.99 3ib3 n TYR 550 Ca -0.02 -2.96 -0.07 0.00 -0.01 0.00 0.00 57.90 54.85 3ib3 n TYR 550 Cb 0.20 -2.47 -0.09 0.00 -0.02 0.00 0.00 39.34 36.96 3ib3 n TYR 550 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3ib3 n ASP 551 N 6.74 3.31 -4.71 7.72 5.75 -1.26 -1.55 116.55 132.55 3ib3 n ASP 551 Ca 0.47 -2.09 -0.43 0.00 -0.01 0.00 0.00 54.79 52.73 3ib3 n ASP 551 Cb 0.42 -0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 39.62 3ib3 n ASP 551 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ib3 n SER 552 N 2.55 3.48 -3.55 -1.12 7.64 -1.26 -4.92 113.62 116.44 3ib3 n SER 552 Ca 0.23 1.13 -0.16 0.00 1.01 0.00 0.00 58.87 61.08 3ib3 n SER 552 Cb 0.54 -1.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.15 3ib3 n SER 552 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ib3 s GLN 553 N -0.20 0.96 -0.21 1.43 -2.07 0.66 -2.19 119.66 118.04 3ib3 s GLN 553 Ca 0.67 0.36 -0.09 0.00 -1.82 0.00 0.00 55.36 54.49 3ib3 s GLN 553 Cb -0.56 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 31.77 3ib3 s GLN 553 CO 0.46 -0.27 0.10 -1.17 -1.32 0.00 0.00 175.29 173.09 3ib3 s LEU 554 N -0.91 3.89 -0.27 2.60 2.96 0.46 0.01 118.68 127.42 3ib3 s LEU 554 Ca -0.08 0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 3ib3 s LEU 554 Cb -0.01 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3ib3 s LEU 554 CO 0.07 0.11 0.38 -0.63 -1.32 0.00 0.00 176.35 174.96 3ib3 s ILE 555 N 0.79 5.17 -0.02 6.68 -1.09 0.08 0.37 121.20 133.18 3ib3 s ILE 555 Ca 0.05 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.11 3ib3 s ILE 555 Cb -0.13 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3ib3 s ILE 555 CO 0.02 0.15 -0.13 0.27 -1.23 0.00 0.00 174.94 174.03 3ib3 s ILE 556 N 2.07 3.18 -0.85 2.92 -4.36 0.53 -2.42 121.20 122.27 3ib3 s ILE 556 Ca 0.15 -0.82 -0.17 0.00 -0.26 0.00 0.00 60.65 59.56 3ib3 s ILE 556 Cb -0.16 -2.30 0.16 0.00 1.25 0.00 0.00 42.46 41.41 3ib3 s ILE 556 CO 0.10 0.49 0.93 -2.16 0.24 0.00 0.00 174.94 174.54 3ib3 s PRO 557 N -1.05 3.53 -0.02 0.37 0.04 -1.26 -0.32 135.00 136.29 3ib3 s PRO 557 Ca 0.14 -1.99 -0.26 0.00 0.04 0.00 0.00 61.00 58.92 3ib3 s PRO 557 Cb -0.11 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.76 3ib3 s PRO 557 CO 0.03 -1.55 0.82 0.42 0.04 0.00 0.00 177.00 176.77 3ib3 s ILE 558 N 1.65 4.93 0.00 0.56 1.01 -1.01 -1.65 121.20 126.70 3ib3 s ILE 558 Ca 0.24 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3ib3 s ILE 558 Cb -0.09 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3ib3 s ILE 558 CO -0.07 0.23 0.14 1.33 0.00 0.00 0.00 174.94 176.57