#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 0.00 0.26 2.41 4.77 -1.26 -1.91 117.00 121.27 3ib3 n LEU 5 Ca 0.00 0.43 0.15 0.00 -0.03 0.00 0.00 56.01 56.56 3ib3 n LEU 5 Cb 0.00 -0.43 0.56 0.00 -2.33 0.00 0.00 43.42 41.22 3ib3 n LEU 5 CO 0.00 -0.18 0.93 -0.07 -1.33 0.00 0.00 177.39 176.74 3ib3 h LEU 6 N 0.00 0.00 0.00 2.23 3.38 -1.93 -3.39 115.31 115.60 3ib3 h LEU 6 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ib3 h LEU 6 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ib3 h LEU 6 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3ib3 n GLY 7 N 0.24 -2.26 2.79 0.83 0.00 -0.80 -4.29 105.19 101.70 3ib3 n GLY 7 Ca 0.01 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.01 4.03 0.26 1.61 2.47 -0.25 -4.85 114.94 115.20 3ib3 s ASN 8 Ca 0.00 -1.61 0.24 0.00 0.42 0.00 0.00 52.86 51.91 3ib3 s ASN 8 Cb 0.00 -0.97 0.97 0.00 -1.45 0.00 0.00 41.25 39.80 3ib3 s ASN 8 CO 0.00 -0.39 1.72 -2.65 -3.72 0.00 0.00 177.10 172.06 3ib3 n PRO 9 N 4.77 0.20 0.22 0.43 -0.02 -1.26 -2.29 135.00 137.05 3ib3 n PRO 9 Ca -0.02 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 3ib3 n PRO 9 Cb 0.43 -1.87 0.47 0.00 -0.02 0.00 0.00 33.50 32.50 3ib3 n PRO 9 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3ib3 h LYS 10 N 0.00 0.00 -6.11 -0.52 1.79 -1.98 -3.44 116.57 106.30 3ib3 h LYS 10 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3ib3 h LYS 10 Cb 0.39 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 3ib3 h LYS 10 CO 0.00 0.25 0.03 -0.51 -1.08 0.00 0.00 179.45 178.14 3ib3 s LEU 11 N -6.95 4.41 0.42 2.94 1.43 -0.97 -5.06 118.68 114.90 3ib3 s LEU 11 Ca -0.00 1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 54.09 3ib3 s LEU 11 Cb 0.11 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 3ib3 s LEU 11 CO 0.64 0.06 1.05 -0.89 0.23 0.00 0.00 176.35 177.44 3ib3 s THR 12 N -0.03 3.73 0.06 5.49 2.01 -1.26 -4.95 115.64 120.69 3ib3 s THR 12 Ca 0.33 1.25 -0.28 0.00 0.31 0.00 0.00 61.69 63.31 3ib3 s THR 12 Cb -0.19 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 3ib3 s THR 12 CO 0.18 -0.06 0.87 -0.69 -0.69 0.00 0.00 174.62 174.23 3ib3 s VAL 13 N -1.75 4.68 0.24 3.82 1.01 -1.26 -4.62 120.40 122.52 3ib3 s VAL 13 Ca 0.61 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 64.14 3ib3 s VAL 13 Cb -0.20 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3ib3 s VAL 13 CO 0.25 0.31 1.47 -0.89 0.00 0.00 0.00 175.10 176.24 3ib3 s THR 14 N 0.16 2.60 -0.44 3.92 2.01 -1.03 -4.94 115.64 117.92 3ib3 s THR 14 Ca 0.44 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.65 3ib3 s THR 14 Cb -0.22 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3ib3 s THR 14 CO 0.26 0.08 1.51 -1.00 -0.69 0.00 0.00 174.62 174.78 3ib3 s HIS 15 N 0.10 2.22 0.33 4.92 3.76 -1.26 -4.85 115.29 120.51 3ib3 s HIS 15 Ca 0.61 0.63 0.12 0.00 -0.15 0.00 0.00 55.06 56.27 3ib3 s HIS 15 Cb -0.43 -4.29 0.98 0.00 1.11 0.00 0.00 32.58 29.96 3ib3 s HIS 15 CO 0.43 -2.17 1.70 -0.24 -0.85 0.00 0.00 174.74 173.61 3ib3 h VAL 16 N 6.54 0.43 0.00 -0.90 3.04 -1.92 0.52 116.25 123.96 3ib3 h VAL 16 Ca -0.28 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3ib3 h VAL 16 Cb 1.12 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 3ib3 h VAL 16 CO 1.10 0.08 0.00 0.59 -1.01 0.00 0.00 177.57 178.34 3ib3 n ASN 17 N -4.94 0.00 0.00 3.17 3.02 -1.26 -2.62 115.26 112.63 3ib3 n ASN 17 Ca 0.29 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3ib3 n ASN 17 Cb 0.86 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 3ib3 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ib3 n GLU 18 N -0.95 0.48 -2.51 3.52 1.02 0.18 -5.04 120.64 117.34 3ib3 n GLU 18 Ca 0.07 -0.84 -0.38 0.00 -0.02 0.00 0.00 57.16 55.99 3ib3 n GLU 18 Cb 0.03 -0.97 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 3ib3 n GLU 18 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ib3 s VAL 19 N -0.36 3.61 0.17 2.62 1.01 -1.08 -5.01 120.40 121.37 3ib3 s VAL 19 Ca 0.00 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.47 3ib3 s VAL 19 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3ib3 s VAL 19 CO 0.00 0.19 -0.02 -0.54 0.00 0.00 0.00 175.10 174.73 3ib3 s LYS 20 N -1.96 2.34 0.33 2.72 -0.14 -1.26 -5.07 119.74 116.69 3ib3 s LYS 20 Ca 0.51 -1.14 -0.26 0.00 -1.36 0.00 0.00 55.97 53.72 3ib3 s LYS 20 Cb -0.27 -2.32 -0.13 0.00 -1.68 0.00 0.00 37.83 33.43 3ib3 s LYS 20 CO 0.34 0.45 0.89 0.00 -0.76 0.00 0.00 175.35 176.27 3ib3 n ALA 21 N -0.09 -0.60 0.00 5.17 0.00 -1.26 -4.61 120.51 119.13 3ib3 n ALA 21 Ca -0.10 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3ib3 n ALA 21 Cb 0.55 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.38 -1.59 3.69 0.00 0.00 0.47 -4.89 105.19 104.24 3ib3 n GLY 22 Ca 0.11 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 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 5.04 0.01 -0.61 1.01 -1.26 -1.10 121.20 124.30 3ib3 s ILE 23 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 60.65 61.96 3ib3 s ILE 23 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 3ib3 s ILE 23 CO 0.00 0.18 -0.17 0.20 0.00 0.00 0.00 174.94 175.15 3ib3 s ASN 24 N 0.99 2.03 -0.39 3.58 0.01 -1.26 -4.98 114.94 114.92 3ib3 s ASN 24 Ca 0.31 -0.39 -0.19 0.00 -0.71 0.00 0.00 52.86 51.89 3ib3 s ASN 24 Cb -0.16 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.32 3ib3 s ASN 24 CO 0.13 0.16 0.53 -1.00 -1.51 0.00 0.00 177.10 175.41 3ib3 s HIS 25 N -0.59 3.14 0.35 2.20 3.76 -1.26 -4.30 115.29 118.60 3ib3 s HIS 25 Ca 0.06 -0.01 0.09 0.00 -0.15 0.00 0.00 55.06 55.04 3ib3 s HIS 25 Cb -0.07 -3.04 -0.06 0.00 1.11 0.00 0.00 32.58 30.52 3ib3 s HIS 25 CO 0.00 -0.67 -0.01 0.96 -0.85 0.00 0.00 174.74 174.17 3ib3 s ILE 26 N 2.46 2.41 -0.17 0.60 -4.36 -1.26 -5.02 121.20 115.86 3ib3 s ILE 26 Ca 0.18 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 3ib3 s ILE 26 Cb -0.15 -2.78 0.02 0.00 1.25 0.00 0.00 42.46 40.80 3ib3 s ILE 26 CO 0.15 -0.17 -0.18 -0.69 0.24 0.00 0.00 174.94 174.29 3ib3 s VAL 27 N -2.57 1.91 -0.10 8.37 1.01 -1.26 -4.27 120.40 123.49 3ib3 s VAL 27 Ca 0.34 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 3ib3 s VAL 27 Cb 0.02 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3ib3 s VAL 27 CO 0.18 0.50 0.19 -0.69 0.00 0.00 0.00 175.10 175.28 3ib3 s VAL 28 N 1.35 5.42 -1.35 2.92 1.01 0.17 -2.46 120.40 127.46 3ib3 s VAL 28 Ca 0.05 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 3ib3 s VAL 28 Cb -0.13 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.87 3ib3 s VAL 28 CO -0.12 0.61 1.91 -0.90 0.00 0.00 0.00 175.10 176.60 3ib3 n ASP 29 N 1.93 4.57 -4.77 3.32 5.75 -1.26 -1.03 116.55 125.05 3ib3 n ASP 29 Ca -0.19 -2.91 -0.41 0.00 -0.01 0.00 0.00 54.79 51.27 3ib3 n ASP 29 Cb 0.54 -1.67 -0.01 0.00 -1.03 0.00 0.00 41.12 38.95 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 3.38 6.57 0.18 -1.12 0.15 -0.32 -4.12 113.70 118.42 3ib3 s SER 30 Ca 0.49 2.85 0.07 0.00 0.70 0.00 0.00 55.95 60.07 3ib3 s SER 30 Cb 0.08 -2.66 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3ib3 s SER 30 CO -0.00 -0.70 1.41 0.58 1.20 0.00 0.00 173.24 175.73 3ib3 h VAL 31 N 2.99 1.59 0.04 4.45 2.07 -1.85 -3.25 116.25 122.29 3ib3 h VAL 31 Ca -0.50 -2.86 -0.36 0.00 0.82 0.00 0.00 66.70 63.81 3ib3 h VAL 31 Cb 1.23 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 3ib3 h VAL 31 CO 0.65 0.82 -2.16 0.00 0.02 0.00 0.00 177.57 176.90 3ib3 n GLN 32 N -3.55 0.69 -0.08 1.57 3.00 -1.26 -4.73 117.38 113.01 3ib3 n GLN 32 Ca -0.01 0.18 0.06 0.00 -0.01 0.00 0.00 57.00 57.22 3ib3 n GLN 32 Cb 0.81 -1.63 0.08 0.00 0.00 0.00 0.00 30.24 29.50 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 -3.17 0.00 -3.38 1.08 4.01 -1.26 -4.96 117.16 109.49 3ib3 n TYR 33 Ca -0.33 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 56.67 3ib3 n TYR 33 Cb 1.06 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 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 -1.00 -1.68 3.63 2.72 0.00 -1.23 -2.18 105.19 105.45 3ib3 n GLY 34 Ca 0.09 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 6.49 -0.16 1.61 0.01 -1.26 -1.17 114.94 116.45 3ib3 s ASN 35 Ca 0.00 1.39 -0.02 0.00 -0.71 0.00 0.00 52.86 53.52 3ib3 s ASN 35 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3ib3 s ASN 35 CO 0.00 -1.21 -0.09 -1.10 -1.51 0.00 0.00 177.10 173.19 3ib3 s GLN 36 N 4.50 3.41 0.28 -0.60 -1.52 -0.20 -1.09 119.66 124.44 3ib3 s GLN 36 Ca 0.65 -0.65 -0.06 0.00 -1.95 0.00 0.00 55.36 53.35 3ib3 s GLN 36 Cb -0.21 -2.79 -0.05 0.00 -0.22 0.00 0.00 33.01 29.74 3ib3 s GLN 36 CO 0.27 0.08 0.56 -1.83 -0.25 0.00 0.00 175.29 174.11 3ib3 s GLU 37 N 0.73 3.66 0.06 2.91 -1.05 -1.26 0.43 118.70 124.18 3ib3 s GLU 37 Ca -0.04 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 3ib3 s GLU 37 Cb -0.15 -2.64 0.01 0.00 -0.44 0.00 0.00 34.13 30.91 3ib3 s GLU 37 CO 0.02 0.22 0.08 -0.89 0.95 0.00 0.00 175.26 175.64 3ib3 n ILE 39 N -0.83 0.00 -3.25 1.83 5.41 -0.45 -4.65 119.36 117.42 3ib3 n ILE 39 Ca -0.01 -0.14 0.04 0.00 1.00 0.00 0.00 62.75 63.64 3ib3 n ILE 39 Cb 0.54 -1.23 -0.03 0.00 -0.71 0.00 0.00 39.64 38.21 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 -2.49 0.28 -0.09 0.38 2.02 0.15 -1.60 118.70 117.34 3ib3 s GLU 41 Ca 0.05 0.58 -0.02 0.00 0.02 0.00 0.00 54.97 55.60 3ib3 s GLU 41 Cb -0.00 0.33 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 3ib3 s GLU 41 CO 0.03 -0.22 0.00 0.21 0.02 0.00 0.00 175.26 175.31 3ib3 s LYS 42 N 2.73 3.06 -1.46 1.61 2.20 -0.25 -0.63 119.74 127.00 3ib3 s LYS 42 Ca 0.01 -0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.16 3ib3 s LYS 42 Cb -0.09 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 3ib3 s LYS 42 CO -0.15 0.66 0.81 -0.25 -0.36 0.00 0.00 175.35 176.06 3ib3 n ASP 43 N 2.27 -6.16 -4.73 1.43 8.00 -0.83 -0.40 116.55 116.13 3ib3 n ASP 43 Ca -0.18 -0.37 -0.32 0.00 0.71 0.00 0.00 54.79 54.62 3ib3 n ASP 43 Cb 0.54 -4.90 0.11 0.00 -0.02 0.00 0.00 41.12 36.84 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 -2.94 1.88 0.05 0.44 0.00 -0.08 -4.75 107.32 101.92 3ib3 s GLY 44 Ca 0.40 0.53 0.05 0.00 0.00 0.00 0.00 44.72 45.70 3ib3 s GLY 44 CO 0.50 0.91 -0.13 -0.51 0.00 0.00 0.00 173.10 173.87 3ib3 s THR 45 N -2.56 1.02 -0.12 0.90 -4.23 -1.26 0.10 115.64 109.48 3ib3 s THR 45 Ca 0.66 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 3ib3 s THR 45 Cb -0.22 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.67 3ib3 s THR 45 CO 0.52 -0.15 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.60 3ib3 s VAL 46 N -1.09 1.66 0.00 2.29 1.01 -0.66 -4.98 120.40 118.63 3ib3 s VAL 46 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3ib3 s VAL 46 Cb -0.09 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3ib3 s VAL 46 CO 0.02 0.47 0.00 1.21 0.00 0.00 0.00 175.10 176.80 3ib3 n GLU 47 N 4.18 0.84 0.00 2.72 2.13 -1.26 -1.28 120.64 127.97 3ib3 n GLU 47 Ca -0.19 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.45 3ib3 n GLU 47 Cb 0.51 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.12 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 0.52 -0.04 5.31 3.08 -1.98 -3.47 114.38 117.79 3ib3 h ARG 49 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3ib3 h ARG 49 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ib3 h ARG 49 CO 0.00 1.15 0.00 -0.40 -1.07 0.00 0.00 179.97 179.65 3ib3 n ASP 50 N -4.13 0.86 0.00 7.04 5.68 -1.26 -4.90 116.55 119.83 3ib3 n ASP 50 Ca -0.10 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 3ib3 n ASP 50 Cb 0.70 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 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 1.05 2.94 3.68 6.12 0.00 -1.26 -5.05 105.19 112.67 3ib3 n GLY 51 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3ib3 n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ib3 n GLU 52 N -1.14 2.56 -3.35 1.61 4.07 -1.26 -4.98 120.64 118.15 3ib3 n GLU 52 Ca 0.00 0.93 -0.38 0.00 -0.06 0.00 0.00 57.16 57.65 3ib3 n GLU 52 Cb 0.00 -2.81 -0.06 0.00 -0.06 0.00 0.00 31.44 28.51 3ib3 n GLU 52 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3ib3 s LYS 53 N 3.08 4.21 0.04 5.31 1.02 -1.26 -4.49 119.74 127.66 3ib3 s LYS 53 Ca 0.85 0.49 0.03 0.00 0.02 0.00 0.00 55.97 57.36 3ib3 s LYS 53 Cb -0.56 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 3ib3 s LYS 53 CO 0.42 0.37 0.02 -0.51 -0.92 0.00 0.00 175.35 174.73 3ib3 s LEU 54 N -0.08 3.58 -0.11 3.17 1.02 -0.41 -4.53 118.68 121.32 3ib3 s LEU 54 Ca 0.26 -0.05 -0.02 0.00 0.02 0.00 0.00 54.13 54.34 3ib3 s LEU 54 Cb -0.16 -2.17 -0.03 0.00 0.02 0.00 0.00 46.19 43.85 3ib3 s LEU 54 CO 0.12 0.23 -0.05 -0.31 0.02 0.00 0.00 176.35 176.37 3ib3 s TYR 55 N -1.22 3.00 0.11 0.29 2.02 -1.25 -1.66 117.35 118.64 3ib3 s TYR 55 Ca 0.23 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 3ib3 s TYR 55 Cb -0.12 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3ib3 s TYR 55 CO 0.15 0.16 -0.09 0.96 -1.57 0.00 0.00 175.55 175.17 3ib3 s ILE 56 N -0.24 0.88 -0.03 2.71 -4.36 0.11 -1.81 121.20 118.46 3ib3 s ILE 56 Ca 0.04 -1.84 0.03 0.00 -0.26 0.00 0.00 60.65 58.61 3ib3 s ILE 56 Cb -0.13 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.97 3ib3 s ILE 56 CO 0.02 -0.73 -0.09 0.20 0.24 0.00 0.00 174.94 174.58 3ib3 s ASN 57 N -2.84 4.43 -0.07 4.36 0.01 -0.42 -0.91 114.94 119.51 3ib3 s ASN 57 Ca 0.10 -0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.16 3ib3 s ASN 57 Cb 0.02 -1.02 -0.00 0.00 0.41 0.00 0.00 41.25 40.66 3ib3 s ASN 57 CO -0.02 0.32 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.06 3ib3 s ILE 58 N -0.87 1.69 -0.16 0.60 1.01 0.20 -0.69 121.20 122.99 3ib3 s ILE 58 Ca 0.14 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3ib3 s ILE 58 Cb -0.11 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.91 3ib3 s ILE 58 CO 0.04 0.48 -0.20 -0.36 0.00 0.00 0.00 174.94 174.89 3ib3 s PHE 59 N 0.19 2.72 0.11 3.97 0.08 0.85 -0.68 117.98 125.23 3ib3 s PHE 59 Ca -0.10 -1.39 -0.10 0.00 0.12 0.00 0.00 56.93 55.46 3ib3 s PHE 59 Cb -0.15 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3ib3 s PHE 59 CO 0.05 -0.66 0.24 -0.98 -0.10 0.00 0.00 175.22 173.77 3ib3 s ARG 60 N 0.98 0.94 0.55 0.44 1.70 -0.63 -0.22 118.95 122.71 3ib3 s ARG 60 Ca -0.03 -0.96 -0.20 0.00 -0.47 0.00 0.00 55.73 54.07 3ib3 s ARG 60 Cb -0.15 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 3ib3 s ARG 60 CO -0.05 -0.32 1.18 -2.14 -1.08 0.00 0.00 175.30 172.89 3ib3 s PRO 61 N -3.87 3.25 -1.37 3.89 0.02 -1.26 -1.35 135.00 134.31 3ib3 s PRO 61 Ca 0.07 1.76 -0.08 0.00 0.02 0.00 0.00 61.00 62.77 3ib3 s PRO 61 Cb 0.04 -2.05 0.10 0.00 0.02 0.00 0.00 34.50 32.61 3ib3 s PRO 61 CO -0.09 -0.97 2.31 -1.71 -0.33 0.00 0.00 177.00 176.21 3ib3 n ASN 62 N -1.28 6.99 -3.64 2.53 2.85 -1.26 -4.59 115.26 116.86 3ib3 n ASN 62 Ca 0.12 -3.03 -0.09 0.00 -0.11 0.00 0.00 54.58 51.47 3ib3 n ASN 62 Cb 0.50 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 40.00 3ib3 n ASN 62 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3ib3 s LYS 63 N 0.11 0.61 0.51 1.20 2.20 -1.26 -5.01 119.74 118.09 3ib3 s LYS 63 Ca 0.52 0.80 -0.22 0.00 -0.36 0.00 0.00 55.97 56.71 3ib3 s LYS 63 Cb 0.15 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.67 3ib3 s LYS 63 CO -0.06 -0.09 1.22 -0.51 -0.36 0.00 0.00 175.35 175.56 3ib3 s ASP 64 N 0.62 5.77 0.00 1.43 1.01 -1.26 -4.97 116.67 119.27 3ib3 s ASP 64 Ca -0.01 2.43 0.00 0.00 0.71 0.00 0.00 52.55 55.68 3ib3 s ASP 64 Cb -0.05 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3ib3 s ASP 64 CO -0.07 -1.20 0.00 0.61 0.21 0.00 0.00 175.17 174.72 3ib3 n GLY 65 N 0.51 3.70 3.41 0.21 0.00 -1.26 -5.08 105.19 106.68 3ib3 n GLY 65 Ca 0.09 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.46 3.54 0.30 1.61 1.02 -1.26 -4.30 119.74 118.20 3ib3 s LYS 66 Ca 0.00 -0.56 0.07 0.00 0.02 0.00 0.00 55.97 55.49 3ib3 s LYS 66 Cb 0.00 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 3ib3 s LYS 66 CO 0.00 0.01 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.34 3ib3 s PHE 67 N 0.97 2.04 0.48 3.18 0.08 0.29 -4.42 117.98 120.61 3ib3 s PHE 67 Ca 0.01 -0.71 -0.22 0.00 0.12 0.00 0.00 56.93 56.13 3ib3 s PHE 67 Cb -0.15 -1.21 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 3ib3 s PHE 67 CO 0.01 0.29 1.15 -1.25 -0.10 0.00 0.00 175.22 175.32 3ib3 s PRO 68 N -3.74 3.65 -0.12 0.24 0.04 -1.26 -0.69 135.00 133.12 3ib3 s PRO 68 Ca 0.31 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 3ib3 s PRO 68 Cb 0.05 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3ib3 s PRO 68 CO 0.13 -0.63 -0.02 0.08 0.04 0.00 0.00 177.00 176.60 3ib3 s VAL 69 N -1.62 4.08 0.38 -0.36 1.01 -0.51 -0.27 120.40 123.11 3ib3 s VAL 69 Ca 0.66 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3ib3 s VAL 69 Cb -0.27 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3ib3 s VAL 69 CO 0.32 0.55 0.17 -0.69 0.00 0.00 0.00 175.10 175.45 3ib3 s VAL 70 N -0.28 2.60 -0.15 2.92 1.01 0.29 -0.58 120.40 126.21 3ib3 s VAL 70 Ca 0.05 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 3ib3 s VAL 70 Cb -0.12 -2.97 0.13 0.00 0.00 0.00 0.00 36.38 33.41 3ib3 s VAL 70 CO 0.02 -0.08 1.05 -0.94 0.00 0.00 0.00 175.10 175.15 3ib3 s SER 72 N -3.89 -0.30 -0.02 3.32 1.04 -1.10 -1.04 113.70 111.72 3ib3 s SER 72 Ca 0.40 0.23 -0.00 0.00 0.48 0.00 0.00 55.95 57.06 3ib3 s SER 72 Cb 0.01 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.42 3ib3 s SER 72 CO 0.23 -0.34 0.03 0.00 0.98 0.00 0.00 173.24 174.14 3ib3 s ALA 73 N -1.64 0.06 0.35 5.32 0.00 -1.26 -1.59 121.76 123.00 3ib3 s ALA 73 Ca 0.02 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3ib3 s ALA 73 Cb -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3ib3 s ALA 73 CO -0.02 -0.09 0.61 -0.40 0.00 0.00 0.00 175.76 175.86 3ib3 n ASP 74 N 4.03 -1.76 -0.87 0.00 5.68 -1.12 -4.32 116.55 118.19 3ib3 n ASP 74 Ca -0.26 -2.61 0.07 0.00 -0.50 0.00 0.00 54.79 51.50 3ib3 n ASP 74 Cb 0.51 3.05 0.25 0.00 -1.14 0.00 0.00 41.12 43.79 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 -0.52 2.29 0.13 2.12 -2.24 -1.26 -0.65 114.28 114.15 3ib3 n THR 75 Ca -0.04 -1.99 0.11 0.00 -2.27 0.00 0.00 64.05 59.85 3ib3 n THR 75 Cb 0.55 -0.26 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.59 0.00 0.00 4.78 -1.99 -1.96 -3.45 116.97 115.94 3ib3 h TYR 76 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3ib3 h TYR 76 Cb 1.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.17 3ib3 h TYR 76 CO 0.52 0.04 0.00 0.41 -0.00 0.00 0.00 178.16 179.12 3ib3 n GLY 77 N 1.17 3.18 0.15 3.88 0.00 -1.26 -4.91 105.19 107.40 3ib3 n GLY 77 Ca 0.00 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.33 1.61 2.10 -1.91 -3.12 116.57 114.92 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 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3ib3 n ASP 79 N -2.46 3.79 -4.76 7.07 8.00 -1.26 -4.72 116.55 122.20 3ib3 n ASP 79 Ca 0.04 -2.68 -0.41 0.00 0.71 0.00 0.00 54.79 52.44 3ib3 n ASP 79 Cb 0.37 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3ib3 n ASP 79 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ib3 s ASN 80 N -1.53 6.42 -0.09 -2.24 0.01 -1.18 -4.98 114.94 111.35 3ib3 s ASN 80 Ca 0.38 2.93 -0.22 0.00 -0.71 0.00 0.00 52.86 55.25 3ib3 s ASN 80 Cb 0.28 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3ib3 s ASN 80 CO 0.12 -0.85 0.63 -0.75 -1.51 0.00 0.00 177.10 174.75 3ib3 s LYS 81 N -1.15 4.39 0.00 -0.60 2.20 -1.26 -3.73 119.74 119.60 3ib3 s LYS 81 Ca 0.58 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 3ib3 s LYS 81 Cb -0.46 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3ib3 s LYS 81 CO 0.53 0.07 0.00 -2.30 -0.36 0.00 0.00 175.35 173.29 3ib3 n PRO 82 N 3.83 2.39 0.00 4.03 -0.02 -1.25 -4.94 135.00 139.05 3ib3 n PRO 82 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3ib3 n PRO 82 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 3ib3 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib3 n GLY 88 N 0.00 0.00 0.13 -1.23 0.00 -1.26 -5.06 105.19 97.77 3ib3 n GLY 88 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3ib3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ib3 n ALA 89 N -0.13 0.98 0.15 4.61 0.00 -1.26 -3.89 120.51 120.97 3ib3 n ALA 89 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 53.44 52.89 3ib3 n ALA 89 Cb 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3ib3 n ALA 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ib3 h LEU 90 N 0.06 0.00 -5.66 0.00 3.38 -2.06 -3.38 115.31 107.65 3ib3 h LEU 90 Ca -0.41 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.19 3ib3 h LEU 90 Cb 2.03 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.51 3ib3 h LEU 90 CO 0.08 0.20 -0.73 1.87 0.09 0.00 0.00 178.44 179.95 3ib3 n TRP 91 N -2.99 -2.41 0.27 1.13 -0.00 -1.26 -4.84 117.44 107.33 3ib3 n TRP 91 Ca 0.01 -2.32 0.16 0.00 -0.00 0.00 0.00 57.50 55.34 3ib3 n TRP 91 Cb 0.63 0.88 0.55 0.00 -0.00 0.00 0.00 31.31 33.37 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 5.27 0.00 -0.61 5.87 0.13 -1.76 -3.19 132.00 137.71 3ib3 h PRO 92 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3ib3 h PRO 92 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3ib3 h PRO 92 CO 0.19 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.21 3ib3 n THR 93 N -3.08 1.15 0.23 1.56 -2.24 -1.26 -4.04 114.28 106.60 3ib3 n THR 93 Ca 0.02 -0.71 0.12 0.00 -2.27 0.00 0.00 64.05 61.21 3ib3 n THR 93 Cb 0.36 -0.08 0.38 0.00 -2.10 0.00 0.00 70.33 68.90 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 2.40 0.00 0.00 3.22 3.38 -1.86 -3.46 115.31 118.99 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 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ib3 h LEU 94 CO 0.16 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.39 3ib3 n GLY 95 N 0.58 -1.75 3.57 0.83 0.00 -1.26 -4.35 105.19 102.82 3ib3 n GLY 95 Ca 0.02 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 4.93 -0.46 2.61 2.01 -1.26 -4.97 115.64 118.50 3ib3 s THR 96 Ca 0.00 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.07 3ib3 s THR 96 Cb 0.00 -3.30 0.16 0.00 0.01 0.00 0.00 72.50 69.37 3ib3 s THR 96 CO 0.00 0.34 0.34 -0.63 -0.69 0.00 0.00 174.62 173.98 3ib3 s ILE 97 N 1.29 0.89 -0.04 1.82 1.01 -1.26 -4.29 121.20 120.61 3ib3 s ILE 97 Ca 0.06 -2.83 -0.14 0.00 0.00 0.00 0.00 60.65 57.73 3ib3 s ILE 97 Cb -0.14 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3ib3 s ILE 97 CO 0.05 -1.13 0.38 -2.16 0.00 0.00 0.00 174.94 172.08 3ib3 s PRO 98 N -0.07 3.96 0.20 2.79 0.04 -1.26 -5.05 135.00 135.61 3ib3 s PRO 98 Ca 0.28 0.33 -0.23 0.00 0.04 0.00 0.00 61.00 61.42 3ib3 s PRO 98 Cb -0.04 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.29 3ib3 s PRO 98 CO -0.15 0.59 0.83 0.95 0.04 0.00 0.00 177.00 179.26 3ib3 s THR 99 N -0.71 0.00 0.83 1.26 -4.23 -1.26 -4.89 115.64 106.64 3ib3 s THR 99 Ca 0.22 -0.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 3ib3 s THR 99 Cb -0.16 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 71.90 3ib3 s THR 99 CO 0.11 0.00 1.10 -0.94 -0.54 0.00 0.00 174.62 174.35 3ib3 s SER 100 N -2.89 4.15 0.00 3.99 1.04 -1.26 -4.81 113.70 113.92 3ib3 s SER 100 Ca 0.11 1.27 0.22 0.00 0.48 0.00 0.00 55.95 58.02 3ib3 s SER 100 Cb -0.03 -1.96 1.17 0.00 0.10 0.00 0.00 66.02 65.29 3ib3 s SER 100 CO 0.03 -2.18 1.69 -1.54 0.98 0.00 0.00 173.24 172.22 3ib3 n SER 101 N -3.56 0.00 -2.14 7.02 3.41 -1.26 -2.98 113.62 114.10 3ib3 n SER 101 Ca 0.07 -0.26 -0.26 0.00 -0.26 0.00 0.00 58.87 58.15 3ib3 n SER 101 Cb 0.57 -0.18 0.13 0.00 -0.26 0.00 0.00 64.21 64.47 3ib3 n SER 101 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ib3 n PHE 102 N -1.18 2.91 -3.80 7.33 3.72 -1.26 -4.45 117.46 120.72 3ib3 n PHE 102 Ca 0.13 -2.32 -0.30 0.00 -0.05 0.00 0.00 57.45 54.91 3ib3 n PHE 102 Cb 0.14 -1.07 -0.15 0.00 -0.94 0.00 0.00 39.48 37.46 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 -3.98 1.18 0.73 4.37 2.01 -1.16 -4.45 115.64 114.35 3ib3 s THR 103 Ca 0.58 -1.56 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 3ib3 s THR 103 Cb 0.48 -1.87 0.04 0.00 0.01 0.00 0.00 72.50 71.16 3ib3 s THR 103 CO 0.05 -0.62 1.17 -2.84 -0.69 0.00 0.00 174.62 171.69 3ib3 s PRO 104 N 1.47 2.19 -0.12 4.92 0.02 -1.24 -3.79 135.00 138.44 3ib3 s PRO 104 Ca 0.09 1.63 -0.36 0.00 0.02 0.00 0.00 61.00 62.38 3ib3 s PRO 104 Cb -0.18 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.36 3ib3 s PRO 104 CO -0.20 -1.77 1.81 0.39 -0.33 0.00 0.00 177.00 176.90 3ib3 n GLU 105 N -2.83 1.85 0.00 5.54 4.71 -1.26 -1.15 120.64 127.50 3ib3 n GLU 105 Ca 0.12 0.68 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 3ib3 n GLU 105 Cb 0.51 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.47 3ib3 n GLU 105 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3ib3 n GLU 106 N 5.98 0.00 -2.43 3.49 1.02 -1.26 -4.93 120.64 122.51 3ib3 n GLU 106 Ca 0.23 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.04 3ib3 n GLU 106 Cb 0.24 -0.57 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 3ib3 n GLU 106 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3ib3 s SER 107 N -2.61 6.37 0.12 1.62 0.01 -0.30 -1.84 113.70 117.07 3ib3 s SER 107 Ca 0.00 1.77 -0.33 0.00 1.31 0.00 0.00 55.95 58.71 3ib3 s SER 107 Cb 0.00 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 3ib3 s SER 107 CO 0.00 -0.76 1.74 -2.65 0.41 0.00 0.00 173.24 171.98 3ib3 n PRO 108 N -1.34 2.51 -2.53 12.44 -0.02 -1.26 -4.88 135.00 139.92 3ib3 n PRO 108 Ca 0.08 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 62.04 3ib3 n PRO 108 Cb 0.53 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 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 2.07 6.91 0.67 2.55 -1.08 -1.26 -4.93 116.67 121.61 3ib3 s ASP 109 Ca 0.81 1.35 0.43 0.00 -0.52 0.00 0.00 52.55 54.63 3ib3 s ASP 109 Cb -0.57 -2.54 2.37 0.00 -1.46 0.00 0.00 42.92 40.71 3ib3 s ASP 109 CO 0.38 -0.84 2.33 1.55 0.52 0.00 0.00 175.17 179.12 3ib3 h PRO 110 N 8.25 0.00 0.00 4.34 0.13 -1.93 -1.79 132.00 141.00 3ib3 h PRO 110 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3ib3 h PRO 110 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ib3 h PRO 110 CO 1.00 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 179.07 3ib3 n GLY 111 N -1.10 -1.58 0.13 1.56 0.00 -1.26 -1.20 105.19 101.74 3ib3 n GLY 111 Ca -0.03 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3ib3 n GLY 111 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ib3 n PHE 112 N -1.97 0.38 0.00 1.61 7.35 -0.74 -4.58 117.46 119.52 3ib3 n PHE 112 Ca 0.06 0.16 -0.17 0.00 -0.76 0.00 0.00 57.45 56.73 3ib3 n PHE 112 Cb 0.40 -1.04 -0.11 0.00 0.35 0.00 0.00 39.48 39.08 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 -0.96 0.59 -0.52 -5.13 4.06 -1.39 -3.30 115.95 109.30 3ib3 h TRP 113 Ca -0.57 -0.32 -0.00 0.00 2.06 0.00 0.00 58.89 60.05 3ib3 h TRP 113 Cb 1.52 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.59 3ib3 h TRP 113 CO -0.02 1.15 0.31 0.28 -3.56 0.00 0.00 178.44 176.60 3ib3 h VAL 114 N -0.13 1.16 0.00 1.49 2.07 -1.30 -0.98 116.25 118.55 3ib3 h VAL 114 Ca -0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3ib3 h VAL 114 Cb 1.31 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3ib3 h VAL 114 CO 0.12 0.16 0.00 -0.65 0.02 0.00 0.00 177.57 177.22 3ib3 h PRO 115 N 0.70 0.00 -0.52 1.57 0.11 -1.74 0.22 132.00 132.34 3ib3 h PRO 115 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3ib3 h PRO 115 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ib3 h PRO 115 CO -0.04 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.84 3ib3 n ASN 116 N -2.51 1.66 -3.27 -2.05 3.02 -0.39 -4.92 115.26 106.80 3ib3 n ASN 116 Ca -0.00 -2.12 -0.19 0.00 -0.03 0.00 0.00 54.58 52.24 3ib3 n ASN 116 Cb 0.13 -0.33 0.08 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.13 -4.27 -4.70 6.41 8.00 0.76 -5.05 116.55 117.84 3ib3 n ASP 117 Ca 0.07 -0.52 -0.23 0.00 0.71 0.00 0.00 54.79 54.82 3ib3 n ASP 117 Cb 0.33 -4.67 -0.06 0.00 -0.02 0.00 0.00 41.12 36.70 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 -3.31 2.82 -0.11 1.24 1.51 -1.10 -4.24 117.35 114.17 3ib3 s TYR 118 Ca 0.30 -0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 56.11 3ib3 s TYR 118 Cb -0.13 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 3ib3 s TYR 118 CO 0.66 0.59 0.14 0.08 -1.11 0.00 0.00 175.55 175.91 3ib3 s VAL 119 N -2.23 5.46 -0.14 0.71 1.01 0.62 -4.09 120.40 121.73 3ib3 s VAL 119 Ca 0.32 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3ib3 s VAL 119 Cb -0.07 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3ib3 s VAL 119 CO 0.21 0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 175.07 3ib3 s VAL 120 N -1.06 2.88 -0.16 2.92 1.01 0.69 -0.55 120.40 126.14 3ib3 s VAL 120 Ca 0.16 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3ib3 s VAL 120 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3ib3 s VAL 120 CO 0.05 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.91 3ib3 s VAL 121 N 0.57 3.55 -0.27 2.92 1.01 -0.20 -0.10 120.40 127.88 3ib3 s VAL 121 Ca -0.09 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3ib3 s VAL 121 Cb -0.16 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3ib3 s VAL 121 CO 0.04 0.49 0.05 -0.75 0.00 0.00 0.00 175.10 174.93 3ib3 s LYS 122 N 0.50 3.32 -0.20 2.72 2.47 0.13 -2.72 119.74 125.97 3ib3 s LYS 122 Ca -0.05 -0.69 -0.09 0.00 -1.56 0.00 0.00 55.97 53.57 3ib3 s LYS 122 Cb -0.15 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 3ib3 s LYS 122 CO 0.03 -0.32 0.11 0.08 0.16 0.00 0.00 175.35 175.42 3ib3 s VAL 123 N 1.53 5.21 -0.52 4.02 1.01 -0.62 -1.30 120.40 129.73 3ib3 s VAL 123 Ca 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 61.95 3ib3 s VAL 123 Cb -0.16 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3ib3 s VAL 123 CO 0.02 0.44 0.64 0.00 0.00 0.00 0.00 175.10 176.20 3ib3 s ALA 124 N 0.38 3.38 1.01 5.51 0.00 -0.75 -2.79 121.76 128.50 3ib3 s ALA 124 Ca 0.06 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.11 3ib3 s ALA 124 Cb -0.11 -3.38 0.19 0.00 0.00 0.00 0.00 23.12 19.82 3ib3 s ALA 124 CO -0.01 -2.05 1.11 -0.51 0.00 0.00 0.00 175.76 174.30 3ib3 s LEU 125 N 2.67 1.58 0.19 0.00 1.43 0.17 -3.81 118.68 120.91 3ib3 s LEU 125 Ca 0.15 1.03 -0.33 0.00 -1.03 0.00 0.00 54.13 53.95 3ib3 s LEU 125 Cb -0.20 -3.18 -0.14 0.00 0.03 0.00 0.00 46.19 42.71 3ib3 s LEU 125 CO 0.11 -3.13 1.54 -1.14 0.23 0.00 0.00 176.35 173.97 3ib3 n ARG 126 N -4.15 2.15 -0.27 1.70 0.63 -1.26 -2.13 116.66 113.33 3ib3 n ARG 126 Ca 0.06 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 3ib3 n ARG 126 Cb 0.58 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.98 3ib3 n ARG 126 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ib3 n GLY 127 N 3.05 1.07 3.76 5.14 0.00 -1.24 -4.21 105.19 112.75 3ib3 n GLY 127 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 4.71 1.23 1.61 1.04 -0.90 -4.69 113.70 113.70 3ib3 s SER 128 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 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 -0.42 0.00 -0.67 0.98 0.00 0.00 173.24 173.13 3ib3 n ASP 129 N -1.25 0.00 -0.02 7.02 2.03 -1.26 -2.30 116.55 120.78 3ib3 n ASP 129 Ca -0.01 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.43 3ib3 n ASP 129 Cb 0.62 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.54 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 0.12 -2.42 -0.67 5.02 -1.26 -4.75 118.16 128.21 3ib3 n LYS 130 Ca 0.00 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3ib3 n LYS 130 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.90 7.05 -0.24 4.39 0.15 -0.97 -4.95 113.70 116.23 3ib3 s SER 131 Ca 0.16 1.97 0.12 0.00 0.70 0.00 0.00 55.95 58.90 3ib3 s SER 131 Cb 0.19 -2.57 0.49 0.00 -1.71 0.00 0.00 66.02 62.42 3ib3 s SER 131 CO 0.57 -0.52 1.42 0.29 1.20 0.00 0.00 173.24 176.19 3ib3 n LYS 132 N 4.39 2.09 -0.52 5.44 4.76 -1.26 -3.05 118.16 130.01 3ib3 n LYS 132 Ca 0.10 -3.04 -0.05 0.00 -2.87 0.00 0.00 58.31 52.44 3ib3 n LYS 132 Cb 0.46 -1.79 0.03 0.00 -1.84 0.00 0.00 35.03 31.89 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 -0.98 -0.71 3.70 0.72 0.00 -1.26 -4.76 105.19 101.90 3ib3 n GLY 133 Ca 0.28 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.11 3ib3 n GLY 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ib3 n VAL 134 N -2.17 0.57 -3.76 1.61 0.31 -1.26 -3.71 118.33 109.93 3ib3 n VAL 134 Ca 0.03 -0.14 -0.36 0.00 -0.01 0.00 0.00 64.34 63.85 3ib3 n VAL 134 Cb 0.11 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.22 3ib3 n VAL 134 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3ib3 s LEU 135 N 0.33 5.27 -0.56 7.52 0.20 -0.71 -3.93 118.68 126.80 3ib3 s LEU 135 Ca 0.71 -2.16 0.04 0.00 0.69 0.00 0.00 54.13 53.41 3ib3 s LEU 135 Cb -0.59 -1.84 0.14 0.00 -0.43 0.00 0.00 46.19 43.47 3ib3 s LEU 135 CO 0.43 -0.52 0.33 -0.55 -0.29 0.00 0.00 176.35 175.75 3ib3 s SER 136 N 1.67 4.31 0.31 3.68 0.15 -1.26 -0.85 113.70 121.72 3ib3 s SER 136 Ca 0.10 -3.23 -0.28 0.00 0.70 0.00 0.00 55.95 53.24 3ib3 s SER 136 Cb -0.23 -1.53 -0.13 0.00 -1.71 0.00 0.00 66.02 62.42 3ib3 s SER 136 CO -0.04 -0.19 1.17 -2.65 1.20 0.00 0.00 173.24 172.73 3ib3 n PRO 137 N 2.81 1.78 -3.62 5.44 -0.02 -1.26 -3.68 135.00 136.45 3ib3 n PRO 137 Ca 0.11 0.62 -0.20 0.00 -2.02 0.00 0.00 63.50 62.01 3ib3 n PRO 137 Cb 0.34 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.35 -1.99 -4.38 6.00 8.01 -1.26 -4.97 117.44 119.19 3ib3 n TRP 138 Ca 0.07 0.85 -0.19 0.00 -1.31 0.00 0.00 57.50 56.92 3ib3 n TRP 138 Cb 0.34 -4.51 -0.10 0.00 -2.01 0.00 0.00 31.31 25.03 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 -4.30 2.49 0.36 -0.99 1.04 -1.24 -4.85 113.70 106.22 3ib3 s SER 139 Ca 0.03 -1.15 0.04 0.00 0.48 0.00 0.00 55.95 55.35 3ib3 s SER 139 Cb -0.01 -0.12 0.68 0.00 0.10 0.00 0.00 66.02 66.67 3ib3 s SER 139 CO 0.79 -0.34 1.99 0.50 0.98 0.00 0.00 173.24 177.16 3ib3 h LYS 140 N 2.40 0.70 0.00 4.02 3.64 -1.92 -2.48 116.57 122.92 3ib3 h LYS 140 Ca -0.39 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 3ib3 h LYS 140 Cb 1.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3ib3 h LYS 140 CO 0.65 0.51 -0.60 0.07 -2.27 0.00 0.00 179.45 177.81 3ib3 h ARG 141 N 0.71 0.00 -0.40 1.90 0.11 -1.96 -0.36 114.38 114.38 3ib3 h ARG 141 Ca 0.18 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.19 3ib3 h ARG 141 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 3ib3 h ARG 141 CO -0.03 0.60 -0.02 1.49 0.10 0.00 0.00 179.97 182.11 3ib3 h GLU 142 N 0.00 0.71 -0.08 0.08 4.81 -1.76 -3.16 114.58 115.19 3ib3 h GLU 142 Ca -0.01 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3ib3 h GLU 142 Cb 1.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3ib3 h GLU 142 CO 0.08 0.82 -0.07 0.00 -0.73 0.00 0.00 179.01 179.10 3ib3 h ALA 143 N 0.87 1.75 -0.10 2.92 0.00 -0.90 -2.20 119.26 121.59 3ib3 h ALA 143 Ca 0.11 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3ib3 h ALA 143 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ib3 h ALA 143 CO 0.02 0.19 -0.43 0.93 0.00 0.00 0.00 179.25 179.97 3ib3 h GLU 144 N 0.11 0.24 -0.09 0.00 5.08 -1.08 0.13 114.58 118.97 3ib3 h GLU 144 Ca 0.03 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3ib3 h GLU 144 Cb 0.20 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ib3 h GLU 144 CO 0.01 0.63 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.09 3ib3 h ASP 145 N 0.20 0.26 -0.85 1.42 3.32 -1.44 -2.79 116.42 116.54 3ib3 h ASP 145 Ca 0.02 -0.52 0.16 0.00 0.02 0.00 0.00 57.03 56.70 3ib3 h ASP 145 Cb 0.84 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.22 3ib3 h ASP 145 CO 0.07 0.73 0.42 0.22 -1.72 0.00 0.00 179.24 178.95 3ib3 h TYR 146 N -0.21 0.73 0.02 4.55 -0.00 -1.16 -1.94 116.97 118.97 3ib3 h TYR 146 Ca 0.01 0.04 0.02 0.00 -0.00 0.00 0.00 58.73 58.79 3ib3 h TYR 146 Cb 0.67 -0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.18 3ib3 h TYR 146 CO 0.10 0.14 -0.14 -0.92 -0.00 0.00 0.00 178.16 177.33 3ib3 h TYR 147 N 0.58 -0.37 -0.78 -3.82 3.20 -0.81 -1.30 116.97 113.66 3ib3 h TYR 147 Ca 0.47 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.44 3ib3 h TYR 147 Cb 0.71 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.09 3ib3 h TYR 147 CO -0.10 -0.21 0.51 0.93 -1.64 0.00 0.00 178.16 177.64 3ib3 h GLU 148 N -0.25 0.72 -0.29 1.82 5.08 -1.11 -0.82 114.58 119.72 3ib3 h GLU 148 Ca 0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3ib3 h GLU 148 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ib3 h GLU 148 CO -0.12 0.47 -0.46 0.28 -1.00 0.00 0.00 179.01 178.18 3ib3 h VAL 149 N 0.74 1.29 -0.43 3.13 2.07 -0.96 -1.29 116.25 120.79 3ib3 h VAL 149 Ca 0.36 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 3ib3 h VAL 149 Cb 0.42 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3ib3 h VAL 149 CO -0.13 0.53 0.08 0.40 0.02 0.00 0.00 177.57 178.47 3ib3 h ILE 150 N 0.62 1.24 -0.03 4.57 2.04 -0.04 -1.63 117.51 124.27 3ib3 h ILE 150 Ca 0.04 -0.87 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 3ib3 h ILE 150 Cb 1.03 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3ib3 h ILE 150 CO 0.10 0.30 -0.51 -0.33 0.00 0.00 0.00 178.15 177.72 3ib3 h GLU 151 N 0.57 0.09 -0.03 2.37 4.39 -1.22 -2.31 114.58 118.44 3ib3 h GLU 151 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3ib3 h GLU 151 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3ib3 h GLU 151 CO 0.01 0.58 0.01 2.35 -1.16 0.00 0.00 179.01 180.79 3ib3 h TRP 152 N 0.07 0.06 -0.27 4.33 7.01 -0.89 -2.98 115.95 123.29 3ib3 h TRP 152 Ca -0.00 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 3ib3 h TRP 152 Cb 0.92 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 3ib3 h TRP 152 CO 0.01 0.30 0.08 0.00 -2.79 0.00 0.00 178.44 176.04 3ib3 h ALA 153 N 0.75 1.65 0.00 2.65 0.00 -1.24 -0.92 119.26 122.15 3ib3 h ALA 153 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ib3 h ALA 153 Cb 0.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ib3 h ALA 153 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3ib3 h ALA 154 N 1.72 1.00 -0.11 0.00 0.00 -1.25 -2.60 119.26 118.02 3ib3 h ALA 154 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ib3 h ALA 154 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ib3 h ALA 154 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3ib3 n ASN 155 N -2.44 2.84 -4.91 0.00 3.02 -0.35 -4.27 115.26 109.14 3ib3 n ASN 155 Ca -0.01 -2.82 -0.27 0.00 -0.03 0.00 0.00 54.58 51.45 3ib3 n ASN 155 Cb 0.08 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 38.86 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 -2.44 3.55 0.47 3.52 -1.52 -0.98 -4.98 119.66 117.27 3ib3 s GLN 156 Ca 0.30 0.07 0.25 0.00 -1.95 0.00 0.00 55.36 54.03 3ib3 s GLN 156 Cb 0.25 -2.46 1.16 0.00 -0.22 0.00 0.00 33.01 31.74 3ib3 s GLN 156 CO 0.06 -0.08 1.94 0.66 -0.25 0.00 0.00 175.29 177.61 3ib3 h SER 157 N 0.50 0.00 -0.10 5.90 4.64 -1.95 -2.08 113.55 120.46 3ib3 h SER 157 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ib3 h SER 157 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ib3 h SER 157 CO 0.62 0.19 0.00 -2.67 -0.87 0.00 0.00 176.83 174.10 3ib3 n TRP 158 N -3.53 0.12 -3.85 4.77 4.27 -1.26 -4.41 117.44 113.54 3ib3 n TRP 158 Ca -0.01 -0.06 -0.36 0.00 -3.89 0.00 0.00 57.50 53.19 3ib3 n TRP 158 Cb 0.34 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.21 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 -1.83 6.15 -0.00 -0.67 0.15 -0.78 0.10 113.70 116.81 3ib3 s SER 159 Ca 0.34 0.29 0.06 0.00 0.70 0.00 0.00 55.95 57.34 3ib3 s SER 159 Cb 0.20 -2.04 0.17 0.00 -1.71 0.00 0.00 66.02 62.65 3ib3 s SER 159 CO 0.31 0.27 1.12 -0.46 1.20 0.00 0.00 173.24 175.68 3ib3 n ASN 160 N 2.91 1.12 0.00 5.45 0.23 0.13 -4.51 115.26 120.60 3ib3 n ASN 160 Ca -0.18 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 3ib3 n ASN 160 Cb 0.53 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 3ib3 n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ib3 n GLY 161 N 0.77 2.88 3.54 4.83 0.00 -1.26 -5.00 105.19 110.94 3ib3 n GLY 161 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.27 6.08 -0.15 1.61 0.01 -1.26 -4.76 114.94 115.20 3ib3 s ASN 162 Ca 0.00 -0.34 -0.05 0.00 -0.71 0.00 0.00 52.86 51.76 3ib3 s ASN 162 Cb 0.00 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 3ib3 s ASN 162 CO 0.00 -0.23 0.03 -0.63 -1.51 0.00 0.00 177.10 174.76 3ib3 s ILE 163 N 1.78 4.52 -0.06 0.60 1.09 0.37 -1.42 121.20 128.08 3ib3 s ILE 163 Ca 0.07 -0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 3ib3 s ILE 163 Cb -0.17 -2.98 -0.01 0.00 -1.06 0.00 0.00 42.46 38.24 3ib3 s ILE 163 CO 0.11 0.52 -0.23 -0.83 -0.10 0.00 0.00 174.94 174.41 3ib3 s GLY 164 N -0.08 1.19 0.10 6.18 0.00 0.25 -0.93 107.32 114.03 3ib3 s GLY 164 Ca 0.05 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3ib3 s GLY 164 CO 0.02 -0.53 0.19 -0.51 0.00 0.00 0.00 173.10 172.26 3ib3 s THR 165 N -0.06 5.03 -0.25 0.90 -4.23 -0.81 -4.07 115.64 112.15 3ib3 s THR 165 Ca -0.05 -0.67 -0.26 0.00 -1.18 0.00 0.00 61.69 59.54 3ib3 s THR 165 Cb -0.13 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.30 3ib3 s THR 165 CO 0.04 0.03 0.90 0.21 -0.54 0.00 0.00 174.62 175.26 3ib3 s ASN 166 N -2.77 -0.56 0.00 3.99 3.84 -1.26 -1.14 114.94 117.03 3ib3 s ASN 166 Ca 0.33 1.02 0.00 0.00 0.21 0.00 0.00 52.86 54.42 3ib3 s ASN 166 Cb -0.12 1.01 0.00 0.00 -0.55 0.00 0.00 41.25 41.59 3ib3 s ASN 166 CO 0.26 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 174.95 3ib3 n GLY 167 N 2.16 3.47 3.67 1.21 0.00 -1.21 -4.27 105.19 110.21 3ib3 n GLY 167 Ca -0.13 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.00 4.15 0.00 1.61 1.01 -0.76 -1.72 120.40 122.69 3ib3 s VAL 168 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ib3 s VAL 168 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3ib3 s VAL 168 CO 0.00 0.45 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 3ib3 n SER 169 N 1.64 0.00 -0.21 3.32 2.88 -0.43 -2.43 113.62 118.39 3ib3 n SER 169 Ca -0.16 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.39 3ib3 n SER 169 Cb 0.53 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.07 0.00 0.66 3.20 -1.95 0.39 116.97 119.21 3ib3 h TYR 170 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ib3 h TYR 170 Cb 0.00 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3ib3 h TYR 170 CO 0.00 -0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.27 3ib3 h LEU 171 N 0.11 0.00 0.07 2.82 4.07 -1.67 -0.97 115.31 119.73 3ib3 h LEU 171 Ca 0.32 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.93 3ib3 h LEU 171 Cb 0.52 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 3ib3 h LEU 171 CO -0.54 0.00 -2.00 0.00 -1.08 0.00 0.00 178.44 174.82 3ib3 n ALA 172 N -2.08 1.16 -0.17 1.53 0.00 0.10 -4.01 120.51 117.05 3ib3 n ALA 172 Ca -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 3ib3 n ALA 172 Cb 0.10 -0.63 0.17 0.00 0.00 0.00 0.00 19.45 19.09 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 0.04 1.23 0.00 0.00 2.07 0.06 -2.43 116.25 117.22 3ib3 h VAL 173 Ca -0.41 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 3ib3 h VAL 173 Cb 2.03 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3ib3 h VAL 173 CO 0.06 0.31 -0.07 0.71 0.02 0.00 0.00 177.57 178.60 3ib3 h THR 174 N 0.89 0.20 0.05 2.57 1.35 -1.36 -2.91 112.91 113.70 3ib3 h THR 174 Ca 0.20 -0.65 -0.26 0.00 -0.55 0.00 0.00 66.41 65.15 3ib3 h THR 174 Cb 0.26 1.54 0.02 0.00 -1.73 0.00 0.00 68.15 68.25 3ib3 h THR 174 CO -0.01 0.07 -1.03 1.56 -0.25 0.00 0.00 175.52 175.86 3ib3 h GLN 175 N 0.00 0.62 -0.69 4.72 4.20 -1.57 -1.14 115.11 121.24 3ib3 h GLN 175 Ca -0.00 -0.73 0.08 0.00 0.06 0.00 0.00 58.65 58.06 3ib3 h GLN 175 Cb 0.53 0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 3ib3 h GLN 175 CO 0.01 1.31 0.36 -1.49 -0.67 0.00 0.00 178.83 178.35 3ib3 h TRP 176 N 0.24 0.66 0.65 2.96 -0.00 -1.33 -1.28 115.95 117.85 3ib3 h TRP 176 Ca -0.14 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.74 3ib3 h TRP 176 Cb 1.71 -0.19 0.01 0.00 -0.00 0.00 0.00 29.16 30.68 3ib3 h TRP 176 CO 0.12 0.27 -0.31 -1.49 -0.00 0.00 0.00 178.44 177.03 3ib3 h TRP 177 N 0.64 -0.81 -0.77 0.49 4.06 -1.53 -1.96 115.95 116.08 3ib3 h TRP 177 Ca 0.33 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.27 3ib3 h TRP 177 Cb 0.28 0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 3ib3 h TRP 177 CO -0.09 -0.46 0.51 -0.24 -3.56 0.00 0.00 178.44 174.59 3ib3 h VAL 178 N -1.08 1.20 0.00 1.49 3.04 -1.12 -1.08 116.25 118.69 3ib3 h VAL 178 Ca -0.09 -0.36 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 3ib3 h VAL 178 Cb 0.71 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 3ib3 h VAL 178 CO 0.15 0.19 -0.30 0.00 -1.01 0.00 0.00 177.57 176.60 3ib3 h ALA 179 N 1.52 1.12 0.00 3.17 0.00 -1.23 -0.74 119.26 123.10 3ib3 h ALA 179 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ib3 h ALA 179 Cb -0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ib3 h ALA 179 CO -0.06 0.37 -0.01 0.66 0.00 0.00 0.00 179.25 180.21 3ib3 h SER 180 N 0.00 0.00 0.29 0.00 4.64 -0.38 -1.20 113.55 116.90 3ib3 h SER 180 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ib3 h SER 180 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3ib3 h SER 180 CO 0.04 0.01 -0.62 0.18 -0.87 0.00 0.00 176.83 175.57 3ib3 n LEU 181 N -3.17 0.80 -3.34 5.97 4.77 -0.29 -4.64 117.00 117.11 3ib3 n LEU 181 Ca -0.02 -0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 3ib3 n LEU 181 Cb 0.14 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3ib3 n LEU 181 CO 0.23 0.19 0.07 0.59 -1.33 0.00 0.00 177.39 177.14 3ib3 n ASN 182 N -1.31 -6.54 -4.73 -1.43 3.02 -0.45 -4.94 115.26 98.88 3ib3 n ASN 182 Ca 0.06 -0.63 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 3ib3 n ASN 182 Cb 0.34 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 34.91 3ib3 n ASN 182 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3ib3 s PRO 183 N -4.44 4.15 0.46 3.52 0.02 -1.26 -4.90 135.00 132.54 3ib3 s PRO 183 Ca 0.32 2.53 0.24 0.00 0.02 0.00 0.00 61.00 64.11 3ib3 s PRO 183 Cb -0.07 -3.08 1.25 0.00 0.02 0.00 0.00 34.50 32.61 3ib3 s PRO 183 CO 0.78 -0.68 1.84 -1.35 -0.33 0.00 0.00 177.00 177.26 3ib3 h PRO 184 N 6.36 0.24 -0.37 5.54 0.11 -1.97 -2.71 132.00 139.22 3ib3 h PRO 184 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ib3 h PRO 184 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ib3 h PRO 184 CO 0.91 0.16 0.00 0.72 -0.21 0.00 0.00 178.00 179.58 3ib3 n HIS 185 N -4.44 0.47 -2.49 0.65 8.25 -1.26 -4.78 115.22 111.62 3ib3 n HIS 185 Ca 0.21 -0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 56.98 3ib3 n HIS 185 Cb 0.87 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 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 -1.30 3.35 0.00 2.41 2.96 -1.02 -0.48 118.68 124.60 3ib3 s LEU 186 Ca 0.34 0.03 0.22 0.00 -0.22 0.00 0.00 54.13 54.49 3ib3 s LEU 186 Cb 0.20 -2.94 -0.09 0.00 0.50 0.00 0.00 46.19 43.86 3ib3 s LEU 186 CO 0.27 -1.69 0.99 0.29 -1.32 0.00 0.00 176.35 174.89 3ib3 n LYS 187 N 8.79 0.03 -2.47 1.98 4.76 -0.11 -4.90 118.16 126.25 3ib3 n LYS 187 Ca 0.09 -0.01 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 3ib3 n LYS 187 Cb 0.49 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.53 -1.12 -2.69 7.82 0.00 -1.20 -4.18 120.51 117.62 3ib3 n ALA 188 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 3ib3 n ALA 188 Cb 0.34 0.31 0.05 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.31 0.00 -2.25 0.00 5.41 -0.29 -1.93 119.36 119.99 3ib3 n ILE 190 Ca -0.02 -0.69 -0.41 0.00 1.00 0.00 0.00 62.75 62.62 3ib3 n ILE 190 Cb 0.27 1.01 -0.03 0.00 -0.71 0.00 0.00 39.64 40.18 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 0.51 3.23 -0.92 0.38 0.04 -1.04 -3.33 135.00 133.87 3ib3 s PRO 191 Ca 0.27 0.74 -0.14 0.00 0.04 0.00 0.00 61.00 61.90 3ib3 s PRO 191 Cb 0.17 -4.17 0.20 0.00 0.04 0.00 0.00 34.50 30.75 3ib3 s PRO 191 CO -0.11 -2.01 0.95 -0.46 0.04 0.00 0.00 177.00 175.41 3ib3 s TRP 192 N 6.65 3.67 -0.19 0.56 -0.11 -0.70 -2.41 118.94 126.41 3ib3 s TRP 192 Ca 0.61 -1.96 -0.06 0.00 1.22 0.00 0.00 56.10 55.91 3ib3 s TRP 192 Cb -0.14 -3.97 0.01 0.00 -1.50 0.00 0.00 33.47 27.87 3ib3 s TRP 192 CO 0.27 -1.13 0.22 0.39 -4.62 0.00 0.00 176.95 172.08 3ib3 n GLU 193 N 4.52 -1.24 -3.75 5.86 1.02 -0.51 -3.03 120.64 123.51 3ib3 n GLU 193 Ca 0.19 1.34 -0.15 0.00 -0.02 0.00 0.00 57.16 58.52 3ib3 n GLU 193 Cb 0.46 -3.39 -0.15 0.00 -0.02 0.00 0.00 31.44 28.34 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 -1.54 0.05 1.20 0.62 0.00 -1.26 -1.32 107.32 105.07 3ib3 s GLY 194 Ca 0.09 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 3ib3 s GLY 194 CO 0.36 0.89 0.85 1.47 0.00 0.00 0.00 173.10 176.67 3ib3 n LEU 195 N 4.29 -2.01 -0.31 0.66 -0.00 -1.26 -3.09 117.00 115.27 3ib3 n LEU 195 Ca -0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.53 3ib3 n LEU 195 Cb 0.51 -1.19 0.00 0.00 -0.00 0.00 0.00 43.42 42.73 3ib3 n LEU 195 CO 0.19 -3.37 0.16 -0.46 -0.00 0.00 0.00 177.39 173.91 3ib3 n ASN 196 N -4.56 0.00 -4.11 1.45 0.23 -1.26 -4.50 115.26 102.52 3ib3 n ASN 196 Ca 0.02 -1.04 -0.11 0.00 -0.53 0.00 0.00 54.58 52.92 3ib3 n ASN 196 Cb 0.55 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.04 0.09 0.00 0.53 -1.08 -1.26 -0.97 116.67 113.94 3ib3 s ASP 197 Ca 0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 3ib3 s ASP 197 Cb 0.00 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.89 3ib3 s ASP 197 CO 0.00 -0.92 0.00 0.00 0.52 0.00 0.00 175.17 174.77 3ib3 n TYR 199 N -0.27 0.00 0.16 -5.34 9.36 -1.26 -2.06 117.16 117.75 3ib3 n TYR 199 Ca -0.01 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.29 3ib3 n TYR 199 Cb 0.64 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.43 3ib3 n TYR 199 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ib3 h ARG 200 N 0.00 0.00 0.00 2.98 3.08 -1.98 -2.79 114.38 115.67 3ib3 h ARG 200 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3ib3 h ARG 200 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3ib3 h ARG 200 CO 0.00 0.19 -1.21 0.39 -1.07 0.00 0.00 179.97 178.26 3ib3 n GLU 201 N -3.06 2.54 0.00 0.04 1.02 -0.87 -4.54 120.64 115.77 3ib3 n GLU 201 Ca 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3ib3 n GLU 201 Cb 0.63 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 -1.99 0.00 0.10 2.62 3.14 -1.26 -4.29 118.33 116.65 3ib3 n VAL 202 Ca -0.04 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.30 3ib3 n VAL 202 Cb 0.47 -0.25 0.10 0.00 -1.06 0.00 0.00 33.84 33.09 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 0.80 -2.61 1.55 0.00 -1.92 -3.41 119.26 113.67 3ib3 h ALA 203 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3ib3 h ALA 203 Cb 0.22 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.74 3ib3 h ALA 203 CO 0.00 0.82 -0.48 -0.06 0.00 0.00 0.00 179.25 179.54 3ib3 s PHE 204 N -3.51 0.13 -0.28 0.00 0.08 -1.05 -1.46 117.98 111.89 3ib3 s PHE 204 Ca -0.02 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.67 3ib3 s PHE 204 Cb 0.12 -0.09 0.08 0.00 -0.57 0.00 0.00 43.02 42.55 3ib3 s PHE 204 CO 0.79 -0.37 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.52 3ib3 s HIS 205 N -2.41 2.95 -1.04 0.36 3.76 0.74 -3.56 115.29 116.09 3ib3 s HIS 205 Ca -0.07 -2.29 0.00 0.00 -0.15 0.00 0.00 55.06 52.55 3ib3 s HIS 205 Cb -0.02 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3ib3 s HIS 205 CO -0.03 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.40 3ib3 n GLY 206 N 4.50 0.16 1.30 -2.22 0.00 -1.26 -1.77 105.19 105.90 3ib3 n GLY 206 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.12 1.18 3.64 -0.02 0.00 -1.26 -0.95 105.19 106.65 3ib3 n GLY 207 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.53 5.12 0.08 -0.61 1.01 -0.73 -4.89 121.20 118.65 3ib3 s ILE 208 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 60.65 61.17 3ib3 s ILE 208 Cb 0.00 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 3ib3 s ILE 208 CO 0.00 0.15 1.50 -2.84 0.00 0.00 0.00 174.94 173.75 3ib3 s PRO 209 N 1.89 4.26 -0.43 2.79 0.02 -1.26 -0.19 135.00 142.08 3ib3 s PRO 209 Ca 0.21 2.18 -0.28 0.00 0.02 0.00 0.00 61.00 63.12 3ib3 s PRO 209 Cb -0.15 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.96 3ib3 s PRO 209 CO 0.09 -0.59 1.54 0.34 -0.33 0.00 0.00 177.00 178.05 3ib3 s ASP 210 N 1.68 6.11 0.00 2.53 2.15 -0.53 -4.58 116.67 124.02 3ib3 s ASP 210 Ca 0.68 0.81 0.29 0.00 0.43 0.00 0.00 52.55 54.77 3ib3 s ASP 210 Cb -0.38 -2.54 1.30 0.00 -0.30 0.00 0.00 42.92 41.01 3ib3 s ASP 210 CO 0.30 -1.62 1.89 0.35 -0.17 0.00 0.00 175.17 175.92 3ib3 n THR 211 N 7.14 0.00 0.00 1.71 -2.24 0.31 -4.51 114.28 116.70 3ib3 n THR 211 Ca 0.18 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3ib3 n THR 211 Cb 0.48 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.18 0.40 0.30 3.38 0.00 -1.22 -4.66 105.19 104.57 3ib3 n GLY 212 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3ib3 n GLY 212 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ib3 h PHE 213 N 0.00 -0.09 -0.78 1.61 3.57 -1.08 -0.68 116.94 119.48 3ib3 h PHE 213 Ca 0.00 0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.74 3ib3 h PHE 213 Cb 0.00 0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.79 3ib3 h PHE 213 CO 0.00 -0.30 0.19 -0.92 -2.23 0.00 0.00 178.31 175.05 3ib3 h TYR 214 N 0.07 0.28 0.03 0.41 3.20 -1.82 0.85 116.97 119.99 3ib3 h TYR 214 Ca 0.46 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 62.32 3ib3 h TYR 214 Cb 0.84 -0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.11 3ib3 h TYR 214 CO -0.47 -0.12 -0.24 0.00 -1.64 0.00 0.00 178.16 175.68 3ib3 h ARG 215 N 0.25 0.11 -0.59 1.82 3.08 -1.39 -1.82 114.38 115.84 3ib3 h ARG 215 Ca 0.45 -0.16 0.12 0.00 0.07 0.00 0.00 59.98 60.46 3ib3 h ARG 215 Cb 0.81 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.81 3ib3 h ARG 215 CO -0.56 1.01 -0.16 0.35 -1.07 0.00 0.00 179.97 179.54 3ib3 h PHE 216 N -0.71 -0.36 -0.45 3.04 3.57 -0.93 0.05 116.94 121.13 3ib3 h PHE 216 Ca -0.04 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3ib3 h PHE 216 Cb 1.12 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 3ib3 h PHE 216 CO 0.23 -0.27 0.21 2.35 -2.23 0.00 0.00 178.31 178.60 3ib3 h TRP 217 N -0.02 0.38 -0.19 0.41 7.01 0.75 0.11 115.95 124.40 3ib3 h TRP 217 Ca 0.28 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.26 3ib3 h TRP 217 Cb 0.45 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3ib3 h TRP 217 CO -0.50 0.18 -0.04 1.15 -2.79 0.00 0.00 178.44 176.43 3ib3 h THR 218 N 0.42 1.29 -0.50 2.65 2.02 -0.85 -2.68 112.91 115.26 3ib3 h THR 218 Ca 0.20 -1.02 0.10 0.00 0.77 0.00 0.00 66.41 66.47 3ib3 h THR 218 Cb 0.14 1.57 -0.09 0.00 -1.74 0.00 0.00 68.15 68.02 3ib3 h THR 218 CO -0.16 0.31 -0.07 1.56 0.37 0.00 0.00 175.52 177.52 3ib3 h GLN 219 N 0.08 0.04 0.00 6.66 1.08 -0.72 -0.48 115.11 121.77 3ib3 h GLN 219 Ca 0.05 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3ib3 h GLN 219 Cb 0.49 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3ib3 h GLN 219 CO 0.02 0.03 -0.03 0.78 -0.95 0.00 0.00 178.83 178.67 3ib3 h GLY 220 N 0.04 0.00 0.86 3.46 0.00 -0.49 -0.70 103.07 106.24 3ib3 h GLY 220 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.40 3ib3 h GLY 220 CO -0.48 0.00 -0.66 -2.22 0.00 0.00 0.00 176.54 173.18 3ib3 h ILE 221 N 0.00 1.40 0.41 2.60 2.04 -0.78 -1.84 117.51 121.34 3ib3 h ILE 221 Ca -0.00 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.76 3ib3 h ILE 221 Cb 0.08 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3ib3 h ILE 221 CO 0.00 0.61 -0.22 -0.26 0.00 0.00 0.00 178.15 178.29 3ib3 h PHE 222 N -0.00 -0.57 -0.80 1.37 -1.00 -0.86 -2.27 116.94 112.80 3ib3 h PHE 222 Ca -0.08 -0.01 0.23 0.00 2.81 0.00 0.00 57.97 60.92 3ib3 h PHE 222 Cb 1.36 0.20 -0.03 0.00 3.61 0.00 0.00 35.95 41.08 3ib3 h PHE 222 CO 0.14 -0.35 0.61 0.00 -1.61 0.00 0.00 178.31 177.09 3ib3 h ALA 223 N -0.01 2.72 -0.40 2.45 0.00 -1.22 -1.08 119.26 121.72 3ib3 h ALA 223 Ca -0.05 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ib3 h ALA 223 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ib3 h ALA 223 CO 0.07 -1.02 -0.31 -0.09 0.00 0.00 0.00 179.25 177.90 3ib3 h ARG 224 N 0.00 0.90 -2.36 0.00 9.65 -0.72 -3.37 114.38 118.47 3ib3 h ARG 224 Ca 0.38 -0.43 -0.59 0.00 -1.10 0.00 0.00 59.98 58.24 3ib3 h ARG 224 Cb 1.59 -0.01 -0.41 0.00 -1.39 0.00 0.00 29.97 29.75 3ib3 h ARG 224 CO -0.00 1.08 -0.74 0.91 2.80 0.00 0.00 179.97 184.02 3ib3 n TRP 225 N -4.08 2.23 0.24 2.20 7.02 -0.41 -4.93 117.44 119.71 3ib3 n TRP 225 Ca -0.01 -3.98 0.11 0.00 -1.02 0.00 0.00 57.50 52.60 3ib3 n TRP 225 Cb 0.50 -0.44 0.62 0.00 -2.42 0.00 0.00 31.31 29.57 3ib3 n TRP 225 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3ib3 h THR 226 N 3.33 0.62 -0.39 -0.99 1.35 -1.72 -2.09 112.91 113.03 3ib3 h THR 226 Ca 0.17 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 65.17 3ib3 h THR 226 Cb 0.75 1.50 -0.05 0.00 -1.73 0.00 0.00 68.15 68.62 3ib3 h THR 226 CO 0.68 0.17 0.10 -0.90 -0.25 0.00 0.00 175.52 175.33 3ib3 n ASP 227 N -3.60 3.58 -3.97 5.36 5.75 -1.26 -4.74 116.55 117.66 3ib3 n ASP 227 Ca -0.01 -2.63 -0.31 0.00 -0.01 0.00 0.00 54.79 51.83 3ib3 n ASP 227 Cb 0.31 -0.63 -0.15 0.00 -1.03 0.00 0.00 41.12 39.62 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 -0.39 4.15 -0.29 -1.12 3.84 -0.79 -5.00 114.94 115.35 3ib3 s ASN 228 Ca 0.31 -1.40 0.04 0.00 0.21 0.00 0.00 52.86 52.02 3ib3 s ASN 228 Cb 0.24 -1.32 0.48 0.00 -0.55 0.00 0.00 41.25 40.10 3ib3 s ASN 228 CO 0.08 -0.25 1.61 -0.81 -2.79 0.00 0.00 177.10 174.93 3ib3 n PRO 229 N 4.56 2.11 -0.27 0.43 -0.04 -1.26 -4.09 135.00 136.44 3ib3 n PRO 229 Ca -0.10 -2.11 0.04 0.00 -0.04 0.00 0.00 63.50 61.29 3ib3 n PRO 229 Cb 0.43 -1.85 0.06 0.00 -0.04 0.00 0.00 33.50 32.10 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 -0.51 1.06 -4.81 3.54 3.02 -1.26 -5.06 115.26 111.24 3ib3 n ASN 230 Ca 0.39 -2.39 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 3ib3 n ASN 230 Cb 1.27 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 40.11 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 -1.23 4.62 0.13 2.41 1.01 -1.26 -1.73 121.20 125.14 3ib3 s ILE 231 Ca 0.13 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 3ib3 s ILE 231 Cb 0.12 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 3ib3 s ILE 231 CO 0.01 0.31 1.11 -0.70 0.00 0.00 0.00 174.94 175.68 3ib3 s GLU 232 N -1.71 4.55 -0.93 2.79 2.12 -0.03 -4.89 118.70 120.60 3ib3 s GLU 232 Ca 0.39 1.69 -0.24 0.00 0.36 0.00 0.00 54.97 57.17 3ib3 s GLU 232 Cb -0.18 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.94 3ib3 s GLU 232 CO 0.21 -0.02 1.39 0.34 -0.54 0.00 0.00 175.26 176.65 3ib3 s ASP 233 N 0.31 6.39 0.25 -1.70 -1.08 -1.26 -4.83 116.67 114.75 3ib3 s ASP 233 Ca 0.52 -1.13 0.25 0.00 -0.52 0.00 0.00 52.55 51.67 3ib3 s ASP 233 Cb -0.28 -2.57 0.52 0.00 -1.46 0.00 0.00 42.92 39.13 3ib3 s ASP 233 CO 0.33 -1.62 1.57 -0.07 0.52 0.00 0.00 175.17 175.90 3ib3 h LEU 234 N 12.87 0.00 0.14 -1.34 3.38 -1.96 -2.93 115.31 125.47 3ib3 h LEU 234 Ca 0.04 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3ib3 h LEU 234 Cb 1.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.80 3ib3 h LEU 234 CO 1.38 0.02 -1.30 0.40 0.09 0.00 0.00 178.44 179.04 3ib3 h ILE 235 N 0.00 1.33 -0.78 1.22 1.08 -1.94 -2.74 117.51 115.67 3ib3 h ILE 235 Ca 0.00 -2.63 0.01 0.00 -0.39 0.00 0.00 64.86 61.85 3ib3 h ILE 235 Cb 0.83 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 37.36 3ib3 h ILE 235 CO 0.00 0.79 0.52 -0.61 -0.69 0.00 0.00 178.15 178.16 3ib3 h GLN 236 N 0.20 1.02 -0.88 2.37 4.15 -1.97 -1.45 115.11 118.56 3ib3 h GLN 236 Ca -0.19 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.17 3ib3 h GLN 236 Cb 1.98 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.40 3ib3 h GLN 236 CO 0.24 0.67 0.58 0.00 -1.93 0.00 0.00 178.83 178.40 3ib3 h ALA 237 N 1.29 1.37 -0.73 3.38 0.00 -1.54 0.74 119.26 123.77 3ib3 h ALA 237 Ca 0.29 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ib3 h ALA 237 Cb -0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.30 3ib3 h ALA 237 CO -0.07 0.59 0.27 0.37 0.00 0.00 0.00 179.25 180.40 3ib3 h GLN 238 N 1.19 1.10 -0.17 0.00 4.15 -1.16 0.25 115.11 120.47 3ib3 h GLN 238 Ca 0.32 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.42 3ib3 h GLN 238 Cb -0.14 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.38 3ib3 h GLN 238 CO -0.07 0.92 -0.33 0.37 -1.93 0.00 0.00 178.83 177.79 3ib3 h GLN 239 N 1.06 0.53 0.00 1.69 4.15 -0.15 -3.30 115.11 119.08 3ib3 h GLN 239 Ca 0.24 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3ib3 h GLN 239 Cb 0.25 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3ib3 h GLN 239 CO -0.02 0.94 -0.36 0.93 -1.93 0.00 0.00 178.83 178.40 3ib3 h GLU 240 N 0.17 0.00 -2.20 1.69 5.08 0.46 -3.40 114.58 116.38 3ib3 h GLU 240 Ca 0.01 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.78 3ib3 h GLU 240 Cb 0.92 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.76 3ib3 h GLU 240 CO 0.07 0.00 -0.77 0.72 -1.00 0.00 0.00 179.01 178.03 3ib3 n HIS 241 N -2.51 2.15 0.30 4.33 8.25 0.07 -4.92 115.22 122.90 3ib3 n HIS 241 Ca 0.03 -3.94 0.17 0.00 -0.26 0.00 0.00 57.72 53.72 3ib3 n HIS 241 Cb 0.48 -0.46 0.98 0.00 1.12 0.00 0.00 29.99 32.10 3ib3 n HIS 241 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ib3 h PRO 242 N 4.26 0.00 -5.93 -0.41 0.11 -1.79 -3.44 132.00 124.80 3ib3 h PRO 242 Ca 0.16 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.67 3ib3 h PRO 242 Cb 0.75 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.74 3ib3 h PRO 242 CO 0.69 0.02 -0.63 -0.51 -0.21 0.00 0.00 178.00 177.36 3ib3 s LEU 243 N -7.13 2.89 -1.27 2.35 1.43 -1.26 -5.00 118.68 110.69 3ib3 s LEU 243 Ca -0.04 -1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 51.74 3ib3 s LEU 243 Cb 0.14 -1.17 0.03 0.00 0.03 0.00 0.00 46.19 45.22 3ib3 s LEU 243 CO 0.51 -0.28 1.79 0.12 0.23 0.00 0.00 176.35 178.72 3ib3 s PHE 244 N -2.58 2.57 0.00 0.29 5.36 0.46 -4.78 117.98 119.31 3ib3 s PHE 244 Ca 0.34 -1.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3ib3 s PHE 244 Cb 0.02 -4.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 3ib3 s PHE 244 CO 0.18 -1.66 0.00 -0.40 -1.46 0.00 0.00 175.22 171.89 3ib3 n ASP 245 N 9.89 0.96 0.22 6.13 5.68 -1.26 -4.70 116.55 133.47 3ib3 n ASP 245 Ca 0.48 -0.58 0.08 0.00 -0.50 0.00 0.00 54.79 54.27 3ib3 n ASP 245 Cb 0.46 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.96 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 -0.35 -1.12 3.32 -1.99 -0.52 116.42 115.75 3ib3 h ASP 246 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ib3 h ASP 246 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ib3 h ASP 246 CO 0.00 0.24 0.21 0.15 -1.72 0.00 0.00 179.24 178.12 3ib3 h PHE 247 N 0.00 0.39 0.04 4.55 3.57 -1.94 -3.07 116.94 120.47 3ib3 h PHE 247 Ca -0.00 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.24 3ib3 h PHE 247 Cb 0.56 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3ib3 h PHE 247 CO 0.00 0.23 -1.42 -1.49 -2.23 0.00 0.00 178.31 173.40 3ib3 h TRP 248 N 0.43 0.15 -0.65 0.41 4.06 -1.64 -3.26 115.95 115.45 3ib3 h TRP 248 Ca 0.14 -0.11 0.12 0.00 2.06 0.00 0.00 58.89 61.09 3ib3 h TRP 248 Cb -0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.11 3ib3 h TRP 248 CO -0.07 1.13 0.44 0.87 -3.56 0.00 0.00 178.44 177.25 3ib3 h LYS 249 N 0.02 0.39 0.00 0.49 1.57 -1.20 0.28 116.57 118.12 3ib3 h LYS 249 Ca -0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3ib3 h LYS 249 Cb 1.93 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.15 3ib3 h LYS 249 CO 0.12 0.26 0.00 1.04 -0.57 0.00 0.00 179.45 180.30 3ib3 n GLN 250 N -4.47 0.07 -0.06 3.15 6.02 -1.16 -2.80 117.38 118.12 3ib3 n GLN 250 Ca 0.11 0.45 0.05 0.00 -0.01 0.00 0.00 57.00 57.60 3ib3 n GLN 250 Cb 0.43 -1.67 0.08 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 -1.80 2.34 -3.75 -1.09 5.12 0.96 -4.48 116.66 113.96 3ib3 n ARG 251 Ca 0.01 -2.01 -0.37 0.00 -1.93 0.00 0.00 57.85 53.55 3ib3 n ARG 251 Cb 0.10 -1.25 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 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 -1.80 3.74 0.28 5.56 0.74 -1.12 -4.18 119.66 122.87 3ib3 s GLN 252 Ca 0.16 -0.44 -0.29 0.00 0.05 0.00 0.00 55.36 54.84 3ib3 s GLN 252 Cb 0.13 -3.38 -0.10 0.00 1.10 0.00 0.00 33.01 30.77 3ib3 s GLN 252 CO 0.03 -0.15 1.34 0.08 -0.55 0.00 0.00 175.29 176.03 3ib3 s VAL 253 N 1.54 2.84 -1.02 1.34 1.01 -0.14 -4.95 120.40 121.01 3ib3 s VAL 253 Ca 0.06 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 3ib3 s VAL 253 Cb -0.15 -3.49 0.09 0.00 0.00 0.00 0.00 36.38 32.84 3ib3 s VAL 253 CO 0.05 0.15 1.34 -2.16 0.00 0.00 0.00 175.10 174.48 3ib3 s PRO 254 N -1.02 3.67 0.27 2.72 0.04 -1.26 -4.87 135.00 134.55 3ib3 s PRO 254 Ca 0.53 -1.58 0.00 0.00 0.04 0.00 0.00 61.00 60.00 3ib3 s PRO 254 Cb -0.39 -5.17 0.38 0.00 0.04 0.00 0.00 34.50 29.37 3ib3 s PRO 254 CO 0.47 -2.00 1.75 -0.07 0.04 0.00 0.00 177.00 177.19 3ib3 h LEU 255 N 11.54 0.64 0.00 -3.56 3.38 -1.92 -2.17 115.31 123.21 3ib3 h LEU 255 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ib3 h LEU 255 Cb 0.99 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ib3 h LEU 255 CO 1.28 0.77 0.02 -1.54 0.09 0.00 0.00 178.44 179.06 3ib3 n SER 256 N -4.19 0.00 0.14 -0.43 3.41 -1.23 -0.64 113.62 110.68 3ib3 n SER 256 Ca 0.01 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3ib3 n SER 256 Cb 0.34 -0.48 0.19 0.00 -0.26 0.00 0.00 64.21 64.00 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 -6.51 4.33 4.20 -1.70 -3.37 115.11 112.06 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 0.04 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.84 3ib3 h GLN 257 CO 0.00 0.00 0.77 0.42 -0.67 0.00 0.00 178.83 179.35 3ib3 s ILE 258 N -3.21 3.33 0.00 2.54 1.01 0.19 -4.77 121.20 120.29 3ib3 s ILE 258 Ca 0.06 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.62 3ib3 s ILE 258 Cb 0.09 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3ib3 s ILE 258 CO 0.68 0.05 0.19 0.29 0.00 0.00 0.00 174.94 176.16 3ib3 n LYS 259 N 4.36 2.91 -2.65 2.79 5.02 -1.26 -0.94 118.16 128.39 3ib3 n LYS 259 Ca 0.12 -0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 3ib3 n LYS 259 Cb 0.42 -0.66 -0.05 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.47 4.02 0.25 -0.18 2.01 -1.26 -4.38 115.64 115.63 3ib3 s THR 260 Ca 0.00 1.88 -0.31 0.00 0.31 0.00 0.00 61.69 63.58 3ib3 s THR 260 Cb 0.00 -4.20 -0.14 0.00 0.01 0.00 0.00 72.50 68.17 3ib3 s THR 260 CO 0.00 0.39 1.28 -2.65 -0.69 0.00 0.00 174.62 172.94 3ib3 n PRO 261 N 1.91 1.76 -4.37 4.92 -0.02 -1.26 -4.73 135.00 133.21 3ib3 n PRO 261 Ca 0.00 0.62 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 3ib3 n PRO 261 Cb 0.47 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 3ib3 n PRO 261 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ib3 s LEU 262 N 0.10 1.48 -0.20 2.45 2.96 -0.59 -4.45 118.68 120.44 3ib3 s LEU 262 Ca 0.66 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3ib3 s LEU 262 Cb -0.69 -0.74 0.04 0.00 0.50 0.00 0.00 46.19 45.30 3ib3 s LEU 262 CO 0.54 -0.01 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.24 3ib3 s LEU 263 N 0.92 2.21 -0.09 -0.68 2.96 -1.26 -0.18 118.68 122.56 3ib3 s LEU 263 Ca -0.10 -0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 52.92 3ib3 s LEU 263 Cb -0.15 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3ib3 s LEU 263 CO 0.01 -0.15 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.98 3ib3 s THR 264 N 1.43 4.19 -0.11 3.68 2.01 -0.24 -2.50 115.64 124.09 3ib3 s THR 264 Ca -0.01 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.70 3ib3 s THR 264 Cb -0.16 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 3ib3 s THR 264 CO -0.08 0.60 -0.12 0.00 -0.69 0.00 0.00 174.62 174.33 3ib3 s ALA 266 N 0.05 2.29 -0.03 0.00 0.00 -0.22 -1.42 121.76 122.42 3ib3 s ALA 266 Ca -0.04 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.25 3ib3 s ALA 266 Cb -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3ib3 s ALA 266 CO 0.04 0.20 -0.08 0.45 0.00 0.00 0.00 175.76 176.36 3ib3 s SER 267 N -3.19 1.15 0.65 0.00 0.15 -1.26 -2.60 113.70 108.60 3ib3 s SER 267 Ca 0.23 -0.18 0.38 0.00 0.70 0.00 0.00 55.95 57.09 3ib3 s SER 267 Cb -0.04 -0.32 2.11 0.00 -1.71 0.00 0.00 66.02 66.07 3ib3 s SER 267 CO 0.10 0.06 2.22 -0.50 1.20 0.00 0.00 173.24 176.32 3ib3 h TRP 268 N 6.42 0.00 -0.02 3.44 -0.00 -1.46 -3.13 115.95 121.20 3ib3 h TRP 268 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.56 3ib3 h TRP 268 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 3ib3 h TRP 268 CO 0.44 0.00 -0.07 0.43 -0.00 0.00 0.00 178.44 179.24 3ib3 n SER 269 N -3.17 1.61 -0.58 -3.49 7.64 -1.26 -4.09 113.62 110.27 3ib3 n SER 269 Ca -0.02 -1.44 0.06 0.00 1.01 0.00 0.00 58.87 58.48 3ib3 n SER 269 Cb 0.18 0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.15 1.93 -1.87 0.44 -1.04 -1.18 -1.55 114.28 111.15 3ib3 n THR 270 Ca 0.17 -2.84 -0.42 0.00 -2.04 0.00 0.00 64.05 58.91 3ib3 n THR 270 Cb 0.39 -0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.85 4.14 0.00 -2.82 -0.21 -1.26 -0.83 119.66 115.83 3ib3 s GLN 271 Ca 0.36 2.34 0.00 0.00 0.02 0.00 0.00 55.36 58.08 3ib3 s GLN 271 Cb 0.35 -4.07 0.00 0.00 1.00 0.00 0.00 33.01 30.29 3ib3 s GLN 271 CO -0.06 -0.92 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 3ib3 n GLY 272 N 4.34 2.21 0.00 3.09 0.00 -1.26 -4.44 105.19 109.12 3ib3 n GLY 272 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.20 0.99 7.94 -0.01 -4.67 117.00 121.06 3ib3 n LEU 273 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3ib3 n LEU 273 Cb 0.00 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.17 3ib3 n LEU 273 CO 0.00 0.00 0.45 1.41 -1.11 0.00 0.00 177.39 178.14 3ib3 n HIS 274 N -0.38 0.00 0.12 1.96 8.25 -1.14 -4.46 115.22 119.57 3ib3 n HIS 274 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3ib3 n HIS 274 Cb 0.00 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 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 0.96 -0.20 -0.14 0.41 -0.73 -1.77 -1.20 115.58 112.91 3ib3 h ASN 275 Ca 0.00 -0.08 -0.00 0.00 1.87 0.00 0.00 56.30 58.09 3ib3 h ASN 275 Cb 0.55 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 3ib3 h ASN 275 CO 0.00 -0.05 0.07 -0.09 -0.37 0.00 0.00 177.43 176.99 3ib3 h ARG 276 N -0.35 0.20 -0.14 6.67 2.43 -1.85 -2.95 114.38 118.40 3ib3 h ARG 276 Ca -0.02 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3ib3 h ARG 276 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3ib3 h ARG 276 CO 0.04 0.25 -0.48 0.78 -1.51 0.00 0.00 179.97 179.04 3ib3 h GLY 277 N 0.10 0.38 1.00 2.80 0.00 -1.83 -2.13 103.07 103.40 3ib3 h GLY 277 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3ib3 h GLY 277 CO -0.01 0.37 0.41 1.76 0.00 0.00 0.00 176.54 179.07 3ib3 h SER 278 N 0.28 0.72 -0.32 0.19 0.02 -1.12 0.42 113.55 113.74 3ib3 h SER 278 Ca 0.01 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3ib3 h SER 278 Cb 0.96 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3ib3 h SER 278 CO 0.08 0.53 -0.26 -0.26 -1.14 0.00 0.00 176.83 175.78 3ib3 h PHE 279 N 0.85 0.89 -0.30 3.45 0.04 -1.44 -2.87 116.94 117.56 3ib3 h PHE 279 Ca 0.23 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 3ib3 h PHE 279 Cb -0.08 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3ib3 h PHE 279 CO -0.03 1.01 -0.01 0.93 -0.60 0.00 0.00 178.31 179.60 3ib3 h GLU 280 N 0.52 0.45 -0.06 1.51 4.39 -1.06 0.89 114.58 121.22 3ib3 h GLU 280 Ca 0.06 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3ib3 h GLU 280 Cb 0.83 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3ib3 h GLU 280 CO 0.07 0.49 0.01 0.78 -1.16 0.00 0.00 179.01 179.20 3ib3 h GLY 281 N 0.78 0.10 0.86 -3.84 0.00 -0.83 0.20 103.07 100.33 3ib3 h GLY 281 Ca 0.10 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.38 3ib3 h GLY 281 CO 0.01 0.06 0.10 -2.75 0.00 0.00 0.00 176.54 173.96 3ib3 h PHE 282 N -0.13 0.19 -0.01 5.60 3.57 -1.28 -1.23 116.94 123.64 3ib3 h PHE 282 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ib3 h PHE 282 Cb 0.25 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3ib3 h PHE 282 CO 0.01 0.10 0.01 0.87 -2.23 0.00 0.00 178.31 177.06 3ib3 h LYS 283 N 0.23 0.02 0.00 1.11 1.57 -0.68 -3.32 116.57 115.49 3ib3 h LYS 283 Ca 0.10 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ib3 h LYS 283 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ib3 h LYS 283 CO -0.08 0.18 -0.93 1.96 -0.57 0.00 0.00 179.45 180.01 3ib3 h GLN 284 N -0.14 0.00 -6.62 3.15 4.20 -0.54 -3.47 115.11 111.68 3ib3 h GLN 284 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.14 3ib3 h GLN 284 Cb 0.17 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.04 3ib3 h GLN 284 CO -0.00 0.00 0.60 0.00 -0.67 0.00 0.00 178.83 178.76 3ib3 n ALA 285 N -2.14 1.20 1.52 3.87 0.00 -0.47 -3.54 120.51 120.95 3ib3 n ALA 285 Ca 0.00 0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.97 3ib3 n ALA 285 Cb 0.54 -2.28 0.74 0.00 0.00 0.00 0.00 19.45 18.45 3ib3 n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ib3 n ALA 286 N 1.62 2.42 -1.68 0.00 0.00 -0.12 -4.92 120.51 117.83 3ib3 n ALA 286 Ca 0.10 -0.15 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 3ib3 n ALA 286 Cb 0.33 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.07 3.36 0.24 0.00 7.64 -1.14 -4.86 113.62 117.78 3ib3 n SER 287 Ca 0.18 1.06 0.11 0.00 1.01 0.00 0.00 58.87 61.23 3ib3 n SER 287 Cb 0.12 -1.46 0.56 0.00 -1.01 0.00 0.00 64.21 62.42 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 6.56 0.00 -4.25 1.43 5.08 -1.91 -3.40 114.58 118.09 3ib3 h GLU 288 Ca -0.45 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.28 3ib3 h GLU 288 Cb 1.24 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.10 3ib3 h GLU 288 CO 0.91 0.19 -0.74 -1.21 -1.00 0.00 0.00 179.01 177.16 3ib3 s GLU 289 N -3.85 1.23 -0.08 2.33 2.02 -1.26 -5.09 118.70 113.99 3ib3 s GLU 289 Ca -0.01 -1.50 -0.09 0.00 0.02 0.00 0.00 54.97 53.39 3ib3 s GLU 289 Cb 0.11 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.66 3ib3 s GLU 289 CO 0.62 -0.92 0.24 -1.59 0.02 0.00 0.00 175.26 173.63 3ib3 s LYS 290 N 1.20 0.33 0.11 1.61 -2.85 -1.26 -1.55 119.74 117.34 3ib3 s LYS 290 Ca 0.09 0.25 0.06 0.00 -1.00 0.00 0.00 55.97 55.37 3ib3 s LYS 290 Cb -0.18 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.71 3ib3 s LYS 290 CO -0.14 -0.05 -0.14 -1.58 0.10 0.00 0.00 175.35 173.54 3ib3 s TRP 291 N -0.08 1.34 -0.04 1.78 0.51 0.75 -4.81 118.94 118.38 3ib3 s TRP 291 Ca -0.02 -0.54 0.01 0.00 -2.12 0.00 0.00 56.10 53.43 3ib3 s TRP 291 Cb -0.02 -0.72 0.02 0.00 -0.81 0.00 0.00 33.47 31.94 3ib3 s TRP 291 CO 0.01 0.11 -0.03 -1.17 -0.51 0.00 0.00 176.95 175.36 3ib3 s LEU 292 N -2.28 1.21 -0.15 2.99 2.96 0.32 -1.08 118.68 122.65 3ib3 s LEU 292 Ca 0.06 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3ib3 s LEU 292 Cb -0.06 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.24 3ib3 s LEU 292 CO 0.03 -0.08 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.31 3ib3 s TYR 293 N 1.05 2.72 -0.09 5.38 5.04 -0.19 -1.62 117.35 129.64 3ib3 s TYR 293 Ca -0.09 -1.21 0.01 0.00 -2.44 0.00 0.00 57.07 53.34 3ib3 s TYR 293 Cb -0.14 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.35 3ib3 s TYR 293 CO -0.01 -0.55 -0.09 0.08 -1.34 0.00 0.00 175.55 173.64 3ib3 s VAL 294 N 0.80 1.02 0.29 3.14 1.01 -0.27 -1.06 120.40 125.33 3ib3 s VAL 294 Ca -0.07 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3ib3 s VAL 294 Cb -0.15 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 3ib3 s VAL 294 CO -0.01 0.35 -0.05 -1.38 0.00 0.00 0.00 175.10 174.01 3ib3 s HIS 295 N 1.27 1.97 -0.32 5.22 -3.43 -1.07 -1.12 115.29 117.81 3ib3 s HIS 295 Ca -0.03 -0.70 0.09 0.00 -0.80 0.00 0.00 55.06 53.61 3ib3 s HIS 295 Cb -0.14 -1.14 0.57 0.00 -1.43 0.00 0.00 32.58 30.44 3ib3 s HIS 295 CO -0.03 0.28 1.59 0.41 -2.00 0.00 0.00 174.74 174.99 3ib3 n GLY 296 N -0.60 4.62 0.00 -1.38 0.00 -1.26 -1.20 105.19 105.37 3ib3 n GLY 296 Ca -0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.98 3.40 -3.22 1.61 5.12 -1.26 -4.57 116.66 116.75 3ib3 n ARG 297 Ca 0.39 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.99 3ib3 n ARG 297 Cb 1.20 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 32.44 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 2.52 3.85 0.00 5.56 1.02 -1.26 -4.62 119.74 126.80 3ib3 s LYS 298 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.40 3ib3 s LYS 298 Cb 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3ib3 s LYS 298 CO 0.00 0.19 0.59 -1.91 -0.92 0.00 0.00 175.35 173.31 3ib3 n GLU 299 N -0.49 0.00 0.14 1.68 2.13 -1.26 -1.54 120.64 121.29 3ib3 n GLU 299 Ca 0.02 0.37 -0.01 0.00 0.66 0.00 0.00 57.16 58.20 3ib3 n GLU 299 Cb 0.53 -1.21 0.24 0.00 0.27 0.00 0.00 31.44 31.26 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 0.09 -0.32 4.31 6.55 -1.97 -2.86 115.95 121.76 3ib3 h TRP 300 Ca 0.00 -0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.87 3ib3 h TRP 300 Cb 0.00 -0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 28.22 3ib3 h TRP 300 CO 0.12 0.56 -0.03 1.49 -1.05 0.00 0.00 178.44 179.52 3ib3 h GLU 301 N 0.06 0.05 -0.26 0.49 4.81 -1.75 -2.83 114.58 115.16 3ib3 h GLU 301 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3ib3 h GLU 301 Cb 0.89 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3ib3 h GLU 301 CO 0.07 0.03 -0.35 0.77 -0.73 0.00 0.00 179.01 178.81 3ib3 h SER 302 N 0.05 0.60 -0.94 1.04 0.02 -1.17 -2.72 113.55 110.43 3ib3 h SER 302 Ca 0.16 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3ib3 h SER 302 Cb 0.23 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 3ib3 h SER 302 CO -0.29 0.89 0.61 0.22 -1.14 0.00 0.00 176.83 177.12 3ib3 h TYR 303 N 0.48 1.13 -0.19 3.45 3.20 -1.27 -3.06 116.97 120.71 3ib3 h TYR 303 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ib3 h TYR 303 Cb 0.83 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3ib3 h TYR 303 CO 0.03 0.62 0.00 0.66 -1.64 0.00 0.00 178.16 177.84 3ib3 n TYR 304 N -4.52 0.23 -1.90 -3.82 4.01 -1.14 -4.28 117.16 105.74 3ib3 n TYR 304 Ca 0.13 -0.12 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 3ib3 n TYR 304 Cb 0.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.68 3.63 0.25 -0.72 0.00 -1.03 -4.81 121.76 117.40 3ib3 s ALA 305 Ca 0.32 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.70 3ib3 s ALA 305 Cb 0.20 -3.59 0.44 0.00 0.00 0.00 0.00 23.12 20.17 3ib3 s ALA 305 CO 0.29 -0.89 1.78 -0.09 0.00 0.00 0.00 175.76 176.85 3ib3 h ARG 306 N 4.20 0.64 -0.72 0.00 9.65 -1.92 -0.99 114.38 125.24 3ib3 h ARG 306 Ca -0.48 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.44 3ib3 h ARG 306 Cb 1.23 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.61 3ib3 h ARG 306 CO 0.73 0.42 0.47 1.05 2.80 0.00 0.00 179.97 185.44 3ib3 h GLU 307 N 0.66 0.66 0.02 0.20 4.11 -1.94 0.19 114.58 118.48 3ib3 h GLU 307 Ca 0.41 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.58 3ib3 h GLU 307 Cb 0.49 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3ib3 h GLU 307 CO -0.31 0.44 -1.08 -0.91 0.07 0.00 0.00 179.01 177.22 3ib3 h ASN 308 N 0.68 0.06 -0.42 3.06 2.35 -1.48 -2.16 115.58 117.67 3ib3 h ASN 308 Ca 0.32 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3ib3 h ASN 308 Cb 0.37 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 3ib3 h ASN 308 CO -0.11 1.05 0.17 -0.07 -1.65 0.00 0.00 177.43 176.82 3ib3 h LEU 309 N 0.01 0.59 -1.27 1.61 3.38 -0.40 -1.52 115.31 117.71 3ib3 h LEU 309 Ca -0.04 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3ib3 h LEU 309 Cb 1.81 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.37 3ib3 h LEU 309 CO 0.14 0.60 0.50 -0.33 0.09 0.00 0.00 178.44 179.44 3ib3 h GLU 310 N 0.54 0.95 -0.06 1.13 4.39 -0.58 -1.37 114.58 119.58 3ib3 h GLU 310 Ca 0.14 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3ib3 h GLU 310 Cb 0.20 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3ib3 h GLU 310 CO -0.01 0.63 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.37 3ib3 h ARG 311 N 0.98 0.12 -0.47 2.33 2.43 -1.17 -0.88 114.38 117.71 3ib3 h ARG 311 Ca 0.29 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3ib3 h ARG 311 Cb -0.05 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3ib3 h ARG 311 CO -0.07 0.45 0.19 1.96 -1.51 0.00 0.00 179.97 180.98 3ib3 h GLN 312 N -0.22 0.36 -0.83 0.20 4.20 -1.12 -2.41 115.11 115.29 3ib3 h GLN 312 Ca 0.02 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3ib3 h GLN 312 Cb 0.40 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3ib3 h GLN 312 CO 0.01 0.24 0.55 -0.22 -0.67 0.00 0.00 178.83 178.73 3ib3 h LYS 313 N 0.37 1.07 -0.35 1.46 3.64 -1.09 0.21 116.57 121.89 3ib3 h LYS 313 Ca 0.22 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3ib3 h LYS 313 Cb 0.20 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ib3 h LYS 313 CO -0.21 0.71 -0.24 1.03 -2.27 0.00 0.00 179.45 178.47 3ib3 h SER 314 N 1.10 0.69 -0.31 4.20 0.87 -0.69 0.92 113.55 120.34 3ib3 h SER 314 Ca 0.31 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3ib3 h SER 314 Cb -0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 3ib3 h SER 314 CO -0.08 0.91 -0.03 0.15 -0.53 0.00 0.00 176.83 177.26 3ib3 h PHE 315 N 0.60 0.63 -0.17 2.24 3.57 -1.15 -2.68 116.94 119.99 3ib3 h PHE 315 Ca 0.08 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 3ib3 h PHE 315 Cb 0.72 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3ib3 h PHE 315 CO 0.03 0.72 -0.53 0.74 -2.23 0.00 0.00 178.31 177.04 3ib3 h PHE 316 N 0.36 0.60 -0.75 0.41 -1.00 -0.53 -1.57 116.94 114.45 3ib3 h PHE 316 Ca 0.09 -0.21 0.05 0.00 2.81 0.00 0.00 57.97 60.71 3ib3 h PHE 316 Cb 0.49 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 3ib3 h PHE 316 CO 0.04 0.91 0.49 -0.44 -1.61 0.00 0.00 178.31 177.70 3ib3 h ASP 317 N 0.37 0.76 0.01 2.17 3.32 0.89 0.19 116.42 124.13 3ib3 h ASP 317 Ca 0.01 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 3ib3 h ASP 317 Cb 1.05 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 40.45 3ib3 h ASP 317 CO 0.10 0.51 -0.96 0.15 -1.72 0.00 0.00 179.24 177.32 3ib3 h PHE 318 N 0.87 0.94 0.00 4.55 3.57 -1.12 -1.19 116.94 124.56 3ib3 h PHE 318 Ca 0.31 -0.52 -0.24 0.00 3.53 0.00 0.00 57.97 61.05 3ib3 h PHE 318 Cb 0.13 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3ib3 h PHE 318 CO -0.00 1.36 -1.90 0.66 -2.23 0.00 0.00 178.31 176.19 3ib3 n TYR 319 N -3.94 0.50 -0.13 0.41 4.01 -0.62 -2.89 117.16 114.50 3ib3 n TYR 319 Ca -0.11 0.17 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 3ib3 n TYR 319 Cb 0.84 -0.99 -0.11 0.00 -0.31 0.00 0.00 39.34 38.77 3ib3 n TYR 319 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ib3 n LEU 320 N -2.78 2.45 0.08 7.72 4.77 0.62 -4.40 117.00 125.47 3ib3 n LEU 320 Ca -0.19 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3ib3 n LEU 320 Cb 0.96 -0.87 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 3ib3 n LEU 320 CO 0.44 0.75 0.48 0.11 -1.33 0.00 0.00 177.39 177.83 3ib3 h LYS 321 N -0.51 0.00 -5.24 3.23 1.57 -1.30 -3.45 116.57 110.87 3ib3 h LYS 321 Ca -0.64 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.83 3ib3 h LYS 321 Cb 1.75 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.21 3ib3 h LYS 321 CO -0.26 0.00 -0.65 0.39 -0.57 0.00 0.00 179.45 178.36 3ib3 n GLU 322 N -2.26 -6.27 -3.30 3.15 1.02 -0.65 -4.97 120.64 107.37 3ib3 n GLU 322 Ca 0.04 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 3ib3 n GLU 322 Cb 0.45 -5.48 -0.06 0.00 -0.02 0.00 0.00 31.44 26.33 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 -5.53 4.10 -1.41 3.49 2.12 -0.54 -4.97 118.70 115.95 3ib3 s GLU 323 Ca 0.18 0.64 -0.15 0.00 0.36 0.00 0.00 54.97 56.00 3ib3 s GLU 323 Cb -0.08 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.27 3ib3 s GLU 323 CO 0.64 0.54 2.20 -1.71 -0.54 0.00 0.00 175.26 176.40 3ib3 n ASN 324 N 1.21 3.79 -0.39 -1.70 5.15 -1.26 -4.57 115.26 117.49 3ib3 n ASN 324 Ca -0.07 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 3ib3 n ASN 324 Cb 0.51 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 3ib3 n ASN 324 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3ib3 n ASN 325 N 6.25 0.96 -0.55 1.20 0.23 -1.26 -5.06 115.26 117.04 3ib3 n ASN 325 Ca 0.52 -0.19 0.07 0.00 -0.53 0.00 0.00 54.58 54.45 3ib3 n ASN 325 Cb 0.39 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.27 3ib3 n ASN 325 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ib3 n ASP 326 N -0.40 3.12 -0.34 0.53 8.00 -1.26 -4.72 116.55 121.49 3ib3 n ASP 326 Ca 0.00 -2.72 0.11 0.00 0.71 0.00 0.00 54.79 52.89 3ib3 n ASP 326 Cb 0.00 -0.39 0.28 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.22 1.00 0.00 1.24 2.91 -1.94 0.20 115.95 120.58 3ib3 h TRP 327 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3ib3 h TRP 327 Cb 1.09 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3ib3 h TRP 327 CO 0.27 0.25 0.00 1.63 -1.03 0.00 0.00 178.44 179.56 3ib3 n LYS 328 N -4.77 0.17 0.23 2.65 5.02 -1.26 -0.32 118.16 119.88 3ib3 n LYS 328 Ca 0.21 0.56 0.09 0.00 -2.02 0.00 0.00 58.31 57.15 3ib3 n LYS 328 Cb 0.50 -1.94 0.57 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.98 4.39 3.32 -0.98 -3.45 116.42 117.73 3ib3 h ASP 329 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3ib3 h ASP 329 Cb 0.14 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.74 3ib3 h ASP 329 CO 0.00 0.21 0.80 0.41 -1.72 0.00 0.00 179.24 178.94 3ib3 n THR 330 N -3.72 0.18 -1.67 0.35 -1.04 0.57 -4.92 114.28 104.03 3ib3 n THR 330 Ca -0.01 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 3ib3 n THR 330 Cb 0.32 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 3ib3 n THR 330 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ib3 n PRO 331 N 4.24 1.90 0.25 -2.82 -0.02 -1.26 -4.90 135.00 132.39 3ib3 n PRO 331 Ca 0.20 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.44 3ib3 n PRO 331 Cb 0.24 -2.20 0.63 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.35 0.00 -3.25 6.00 3.86 -1.79 -3.39 115.15 118.92 3ib3 h HIS 332 Ca -0.45 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.24 3ib3 h HIS 332 Cb 1.30 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.41 3ib3 h HIS 332 CO 0.49 0.13 -0.81 0.08 0.86 0.00 0.00 177.93 178.69 3ib3 s VAL 333 N -4.53 1.11 -0.17 2.45 1.01 -0.68 -0.53 120.40 119.06 3ib3 s VAL 333 Ca -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3ib3 s VAL 333 Cb 0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3ib3 s VAL 333 CO 0.64 0.37 -0.10 -0.63 0.00 0.00 0.00 175.10 175.39 3ib3 s ILE 334 N 1.34 3.14 -0.02 2.22 1.01 -0.64 0.13 121.20 128.39 3ib3 s ILE 334 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3ib3 s ILE 334 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3ib3 s ILE 334 CO -0.05 0.48 0.06 -0.72 0.00 0.00 0.00 174.94 174.72 3ib3 s TYR 335 N 0.88 -0.03 -0.04 3.97 -0.85 -0.54 -1.11 117.35 119.63 3ib3 s TYR 335 Ca -0.02 0.08 -0.30 0.00 -0.52 0.00 0.00 57.07 56.31 3ib3 s TYR 335 Cb -0.15 -0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 3ib3 s TYR 335 CO 0.00 -0.07 1.12 -2.00 -1.52 0.00 0.00 175.55 173.08 3ib3 s GLU 336 N -0.23 4.41 -0.64 -3.49 2.12 -0.28 -0.47 118.70 120.13 3ib3 s GLU 336 Ca -0.03 1.58 -0.19 0.00 0.36 0.00 0.00 54.97 56.70 3ib3 s GLU 336 Cb -0.02 -3.50 0.11 0.00 0.26 0.00 0.00 34.13 30.98 3ib3 s GLU 336 CO 0.00 -0.33 0.75 0.08 -0.54 0.00 0.00 175.26 175.23 3ib3 s VAL 337 N 1.79 4.86 0.19 3.70 1.01 0.89 -4.55 120.40 128.29 3ib3 s VAL 337 Ca 0.54 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3ib3 s VAL 337 Cb -0.23 -4.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 3ib3 s VAL 337 CO 0.23 -1.16 1.09 -0.13 0.00 0.00 0.00 175.10 175.13 3ib3 s ARG 338 N 2.54 4.60 -0.18 2.72 0.52 -1.01 -1.82 118.95 126.33 3ib3 s ARG 338 Ca 0.14 1.72 -0.04 0.00 -0.52 0.00 0.00 55.73 57.03 3ib3 s ARG 338 Cb -0.21 -3.27 -0.10 0.00 0.52 0.00 0.00 34.95 31.89 3ib3 s ARG 338 CO 0.04 0.10 -0.19 -3.47 0.02 0.00 0.00 175.30 171.79 3ib3 n ASP 339 N 2.26 2.02 -3.69 0.23 2.03 0.52 -0.66 116.55 119.25 3ib3 n ASP 339 Ca 0.02 0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.30 3ib3 n ASP 339 Cb 0.46 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3ib3 n ASP 339 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3ib3 s GLN 340 N -2.34 1.78 -0.13 -0.67 -1.52 -0.78 -4.88 119.66 111.11 3ib3 s GLN 340 Ca -0.25 -1.26 -0.35 0.00 -1.95 0.00 0.00 55.36 51.56 3ib3 s GLN 340 Cb 0.08 0.54 -0.12 0.00 -0.22 0.00 0.00 33.01 33.29 3ib3 s GLN 340 CO 0.37 -0.78 1.90 0.34 -0.25 0.00 0.00 175.29 176.86 3ib3 n PHE 341 N -0.45 2.26 -2.32 0.91 7.35 -1.21 -1.44 117.46 122.56 3ib3 n PHE 341 Ca -0.03 0.05 -0.17 0.00 -0.76 0.00 0.00 57.45 56.54 3ib3 n PHE 341 Cb 0.61 -2.64 -0.02 0.00 0.35 0.00 0.00 39.48 37.78 3ib3 n PHE 341 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3ib3 n TYR 342 N 6.85 -1.07 -3.80 -5.13 4.01 -1.26 -4.98 117.16 111.79 3ib3 n TYR 342 Ca 0.24 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.77 3ib3 n TYR 342 Cb 0.28 -3.43 -0.17 0.00 -0.31 0.00 0.00 39.34 35.70 3ib3 n TYR 342 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3ib3 s LYS 343 N -4.87 0.40 -0.06 -0.72 2.20 -0.52 -5.12 119.74 111.05 3ib3 s LYS 343 Ca 0.00 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 3ib3 s LYS 343 Cb 0.00 -0.76 0.10 0.00 -1.51 0.00 0.00 37.83 35.66 3ib3 s LYS 343 CO 0.00 -0.26 1.34 0.20 -0.36 0.00 0.00 175.35 176.26 3ib3 s GLY 344 N 1.77 -0.20 -0.10 5.54 0.00 -1.26 -0.36 107.32 112.71 3ib3 s GLY 344 Ca 0.01 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.91 3ib3 s GLY 344 CO -0.04 5.75 -0.11 1.85 0.00 0.00 0.00 173.10 180.55 3ib3 s GLU 345 N -2.03 3.05 -0.16 2.90 2.12 -0.75 -4.94 118.70 118.89 3ib3 s GLU 345 Ca 0.30 -0.64 -0.17 0.00 0.36 0.00 0.00 54.97 54.81 3ib3 s GLU 345 Cb 0.00 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 3ib3 s GLU 345 CO -0.02 0.42 0.45 -0.06 -0.54 0.00 0.00 175.26 175.50 3ib3 s PHE 346 N -0.17 3.45 0.50 5.30 0.08 -1.26 -0.07 117.98 125.81 3ib3 s PHE 346 Ca 0.01 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.84 3ib3 s PHE 346 Cb -0.13 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 3ib3 s PHE 346 CO 0.03 0.08 0.02 0.15 -0.10 0.00 0.00 175.22 175.41 3ib3 s LYS 347 N 0.96 2.18 0.10 0.44 1.02 0.38 -4.93 119.74 119.89 3ib3 s LYS 347 Ca 0.23 -2.40 0.03 0.00 0.02 0.00 0.00 55.97 53.85 3ib3 s LYS 347 Cb -0.15 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 3ib3 s LYS 347 CO 0.09 -0.41 -0.08 -1.54 -0.92 0.00 0.00 175.35 172.49 3ib3 s SER 348 N -3.85 1.25 0.30 2.83 1.04 -1.26 -1.47 113.70 112.54 3ib3 s SER 348 Ca 0.06 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 55.54 3ib3 s SER 348 Cb 0.01 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.20 3ib3 s SER 348 CO 0.04 -0.37 0.47 0.00 0.98 0.00 0.00 173.24 174.36 3ib3 n ALA 349 N 0.27 -0.61 0.67 5.32 0.00 0.12 -4.97 120.51 121.30 3ib3 n ALA 349 Ca -0.14 -1.25 0.07 0.00 0.00 0.00 0.00 53.44 52.12 3ib3 n ALA 349 Cb 0.59 1.00 -0.02 0.00 0.00 0.00 0.00 19.45 21.03 3ib3 n ALA 349 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ib3 n SER 350 N -1.63 1.35 -3.61 0.00 3.41 -1.26 -1.68 113.62 110.20 3ib3 n SER 350 Ca -0.02 -1.18 -0.07 0.00 -0.26 0.00 0.00 58.87 57.35 3ib3 n SER 350 Cb 0.48 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 65.01 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 -1.93 -1.72 -0.04 7.33 0.00 -1.26 -4.60 121.76 119.54 3ib3 s ALA 351 Ca 0.11 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.68 3ib3 s ALA 351 Cb 0.12 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 3ib3 s ALA 351 CO 0.43 -0.85 -0.15 0.12 0.00 0.00 0.00 175.76 175.30 3ib3 s PHE 352 N -3.25 1.53 0.56 0.00 5.36 -1.26 -3.60 117.98 117.32 3ib3 s PHE 352 Ca 0.08 -0.42 -0.18 0.00 -0.96 0.00 0.00 56.93 55.45 3ib3 s PHE 352 Cb -0.01 -1.04 -0.08 0.00 -0.34 0.00 0.00 43.02 41.55 3ib3 s PHE 352 CO -0.04 -0.14 0.63 -2.30 -1.46 0.00 0.00 175.22 171.91 3ib3 n PRO 353 N 3.14 0.62 -2.04 10.12 -0.02 -1.26 -4.81 135.00 140.75 3ib3 n PRO 353 Ca -0.18 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3ib3 n PRO 353 Cb 0.53 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.19 3ib3 n PRO 353 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ib3 s LEU 354 N 0.18 4.36 0.43 2.45 1.43 -1.24 -4.85 118.68 121.44 3ib3 s LEU 354 Ca 0.70 2.45 0.13 0.00 -1.03 0.00 0.00 54.13 56.37 3ib3 s LEU 354 Cb -0.45 -3.58 1.00 0.00 0.03 0.00 0.00 46.19 43.19 3ib3 s LEU 354 CO 0.53 -0.77 1.98 -0.65 0.23 0.00 0.00 176.35 177.66 3ib3 h PRO 355 N 7.22 0.43 -0.03 1.29 0.11 -1.98 -0.00 132.00 139.04 3ib3 h PRO 355 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ib3 h PRO 355 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ib3 h PRO 355 CO 0.90 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 179.25 3ib3 n ASN 356 N -4.47 0.47 -4.77 -2.05 6.94 -1.26 -4.90 115.26 105.21 3ib3 n ASN 356 Ca 0.10 -1.38 -0.40 0.00 -0.02 0.00 0.00 54.58 52.88 3ib3 n ASN 356 Cb 0.36 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 37.74 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 -1.96 3.46 -0.31 -2.53 0.00 -0.02 -4.72 121.76 115.68 3ib3 s ALA 357 Ca 0.35 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 3ib3 s ALA 357 Cb 0.17 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.84 3ib3 s ALA 357 CO 0.27 -0.74 0.03 -1.21 0.00 0.00 0.00 175.76 174.11 3ib3 s GLU 358 N -1.93 2.40 -0.23 0.00 2.02 0.54 -4.94 118.70 116.56 3ib3 s GLU 358 Ca 0.51 -1.31 -0.28 0.00 0.02 0.00 0.00 54.97 53.90 3ib3 s GLU 358 Cb -0.41 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.59 3ib3 s GLU 358 CO 0.54 -0.67 1.00 0.71 0.02 0.00 0.00 175.26 176.86 3ib3 s TYR 359 N 1.25 3.34 -0.16 1.61 2.02 -1.26 -2.30 117.35 121.85 3ib3 s TYR 359 Ca -0.03 1.42 -0.00 0.00 -0.37 0.00 0.00 57.07 58.08 3ib3 s TYR 359 Cb -0.20 -3.23 0.04 0.00 -0.40 0.00 0.00 41.96 38.17 3ib3 s TYR 359 CO -0.01 -0.46 -0.06 0.99 -1.57 0.00 0.00 175.55 174.44 3ib3 s THR 360 N 3.10 1.16 0.26 -0.71 2.01 -0.22 -4.90 115.64 116.34 3ib3 s THR 360 Ca 0.43 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3ib3 s THR 360 Cb -0.15 -1.30 -0.10 0.00 0.01 0.00 0.00 72.50 70.96 3ib3 s THR 360 CO 0.07 0.17 1.32 -2.84 -0.69 0.00 0.00 174.62 172.65 3ib3 s PRO 361 N 1.62 4.37 -0.20 4.92 0.02 -1.26 -1.73 135.00 142.73 3ib3 s PRO 361 Ca 0.01 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3ib3 s PRO 361 Cb -0.15 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 31.28 3ib3 s PRO 361 CO -0.08 -0.24 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.77 3ib3 s LEU 362 N -0.78 2.19 0.01 -5.54 1.43 -0.43 -4.68 118.68 110.87 3ib3 s LEU 362 Ca 0.54 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 3ib3 s LEU 362 Cb -0.38 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 3ib3 s LEU 362 CO 0.44 -0.19 0.90 -0.31 0.23 0.00 0.00 176.35 177.42 3ib3 s TYR 363 N 1.46 3.67 0.31 0.29 2.02 0.22 -1.09 117.35 124.23 3ib3 s TYR 363 Ca -0.02 1.60 -0.28 0.00 -0.37 0.00 0.00 57.07 58.00 3ib3 s TYR 363 Cb -0.17 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 38.28 3ib3 s TYR 363 CO -0.07 0.07 1.07 -0.51 -1.57 0.00 0.00 175.55 174.53 3ib3 s LEU 364 N 0.73 4.46 -0.15 -1.29 1.02 -0.58 -0.87 118.68 121.99 3ib3 s LEU 364 Ca 0.47 2.18 -0.01 0.00 0.02 0.00 0.00 54.13 56.79 3ib3 s LEU 364 Cb -0.21 -3.77 0.04 0.00 0.02 0.00 0.00 46.19 42.28 3ib3 s LEU 364 CO 0.26 -0.20 -0.02 0.21 0.02 0.00 0.00 176.35 176.62 3ib3 s ASN 365 N -1.08 2.58 0.41 2.29 2.47 0.06 -4.20 114.94 117.46 3ib3 s ASN 365 Ca 0.47 -0.58 0.27 0.00 0.42 0.00 0.00 52.86 53.45 3ib3 s ASN 365 Cb -0.29 -0.73 0.88 0.00 -1.45 0.00 0.00 41.25 39.67 3ib3 s ASN 365 CO 0.37 -0.22 1.78 0.00 -3.72 0.00 0.00 177.10 175.31 3ib3 h ALA 366 N 8.20 1.00 0.09 1.71 0.00 -1.88 -0.05 119.26 128.33 3ib3 h ALA 366 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ib3 h ALA 366 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ib3 h ALA 366 CO 0.35 0.00 -0.04 1.49 0.00 0.00 0.00 179.25 181.05 3ib3 h GLU 367 N 0.00 -0.12 -0.10 0.00 4.81 -1.93 -3.33 114.58 113.92 3ib3 h GLU 367 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ib3 h GLU 367 Cb 0.68 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3ib3 h GLU 367 CO 0.00 -0.06 0.00 0.27 -0.73 0.00 0.00 179.01 178.49 3ib3 n ASN 368 N -5.13 2.00 -3.62 1.04 0.23 -1.24 -5.03 115.26 103.51 3ib3 n ASN 368 Ca -0.08 -1.65 -0.21 0.00 -0.53 0.00 0.00 54.58 52.10 3ib3 n ASN 368 Cb 0.08 -0.06 0.06 0.00 -2.08 0.00 0.00 39.78 37.78 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 0.13 -2.18 -4.46 -2.53 8.25 -0.06 -4.95 115.22 109.42 3ib3 n HIS 369 Ca 0.04 0.91 -0.25 0.00 -0.26 0.00 0.00 57.72 58.17 3ib3 n HIS 369 Cb 0.25 -4.66 -0.10 0.00 1.12 0.00 0.00 29.99 26.60 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 -3.47 2.52 0.03 1.59 -4.23 -1.02 -1.29 115.64 109.77 3ib3 s THR 370 Ca 0.16 -2.24 0.05 0.00 -1.18 0.00 0.00 61.69 58.48 3ib3 s THR 370 Cb -0.08 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.21 3ib3 s THR 370 CO 0.78 -0.31 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.68 3ib3 s LEU 371 N -3.58 3.01 -0.09 4.79 1.43 -0.12 -0.76 118.68 123.35 3ib3 s LEU 371 Ca 0.31 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 3ib3 s LEU 371 Cb -0.02 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3ib3 s LEU 371 CO 0.16 0.26 0.22 0.20 0.23 0.00 0.00 176.35 177.43 3ib3 s ASN 372 N -1.53 -0.23 0.58 2.29 0.01 -0.05 -4.74 114.94 111.27 3ib3 s ASN 372 Ca 0.17 0.46 0.31 0.00 -0.71 0.00 0.00 52.86 53.09 3ib3 s ASN 372 Cb -0.11 0.39 1.79 0.00 0.41 0.00 0.00 41.25 43.73 3ib3 s ASN 372 CO 0.08 -0.13 2.22 0.45 -1.51 0.00 0.00 177.10 178.21 3ib3 h HIS 373 N 6.71 0.00 -4.01 2.20 3.86 -1.86 0.63 115.15 122.68 3ib3 h HIS 373 Ca -0.36 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.17 3ib3 h HIS 373 Cb 1.17 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.41 3ib3 h HIS 373 CO 0.38 0.03 -0.85 0.00 0.86 0.00 0.00 177.93 178.36 3ib3 s ALA 374 N -4.46 2.45 0.64 2.45 0.00 -1.26 -4.77 121.76 116.81 3ib3 s ALA 374 Ca -0.04 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 3ib3 s ALA 374 Cb 0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3ib3 s ALA 374 CO 0.54 0.56 0.79 1.63 0.00 0.00 0.00 175.76 179.28 3ib3 n LYS 375 N 1.32 0.64 -3.84 0.00 5.02 -1.26 -4.66 118.16 115.37 3ib3 n LYS 375 Ca -0.17 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 3ib3 n LYS 375 Cb 0.52 -2.01 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.67 5.26 0.03 -0.18 -1.09 -1.26 -5.03 121.20 117.26 3ib3 s ILE 376 Ca 0.73 0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 59.05 3ib3 s ILE 376 Cb -0.40 -3.37 -0.15 0.00 -1.58 0.00 0.00 42.46 36.96 3ib3 s ILE 376 CO 0.51 0.48 1.42 0.28 -1.23 0.00 0.00 174.94 176.39 3ib3 h SER 377 N 6.33 0.17 -3.14 3.58 0.02 -1.94 0.88 113.55 119.44 3ib3 h SER 377 Ca -0.43 -0.36 -0.62 0.00 -0.84 0.00 0.00 61.79 59.53 3ib3 h SER 377 Cb 1.17 -0.05 -0.12 0.00 0.14 0.00 0.00 62.40 63.54 3ib3 h SER 377 CO 0.71 0.49 -0.52 -0.44 -1.14 0.00 0.00 176.83 175.93 3ib3 s SER 378 N -5.74 6.01 0.41 3.07 0.01 -1.26 -3.03 113.70 113.15 3ib3 s SER 378 Ca -0.15 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.09 3ib3 s SER 378 Cb 0.04 -2.01 -0.09 0.00 0.21 0.00 0.00 66.02 64.18 3ib3 s SER 378 CO 0.70 0.24 1.27 0.00 0.41 0.00 0.00 173.24 175.86 3ib3 s ALA 379 N -0.02 3.22 0.19 1.44 0.00 -1.26 -4.02 121.76 121.32 3ib3 s ALA 379 Ca 0.08 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 3ib3 s ALA 379 Cb -0.12 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3ib3 s ALA 379 CO 0.00 -0.76 0.32 -1.01 0.00 0.00 0.00 175.76 174.31 3ib3 s HIS 380 N -1.30 0.45 0.01 0.00 4.02 0.87 -4.94 115.29 114.40 3ib3 s HIS 380 Ca 0.57 -0.80 0.05 0.00 1.02 0.00 0.00 55.06 55.90 3ib3 s HIS 380 Cb -0.36 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.58 31.14 3ib3 s HIS 380 CO 0.46 -0.77 -0.15 0.54 1.02 0.00 0.00 174.74 175.84 3ib3 s VAL 381 N -3.99 1.16 0.27 -0.90 0.11 -1.26 0.87 120.40 116.65 3ib3 s VAL 381 Ca 0.20 -0.80 0.12 0.00 -2.93 0.00 0.00 61.98 58.57 3ib3 s VAL 381 Cb 0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3ib3 s VAL 381 CO 0.03 0.19 -0.20 0.00 -3.33 0.00 0.00 175.10 171.79 3ib3 s ALA 382 N -0.57 2.74 0.01 1.54 0.00 0.51 -4.84 121.76 121.15 3ib3 s ALA 382 Ca 0.04 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.16 3ib3 s ALA 382 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3ib3 s ALA 382 CO 0.00 0.30 -0.03 -0.65 0.00 0.00 0.00 175.76 175.38 3ib3 s GLN 383 N -3.43 0.22 -0.01 0.00 -0.21 -1.26 -0.70 119.66 114.28 3ib3 s GLN 383 Ca 0.29 -0.26 -0.11 0.00 0.02 0.00 0.00 55.36 55.29 3ib3 s GLN 383 Cb -0.05 -0.10 0.01 0.00 1.00 0.00 0.00 33.01 33.87 3ib3 s GLN 383 CO 0.15 0.02 0.23 1.52 -2.12 0.00 0.00 175.29 175.08 3ib3 s TYR 384 N -0.51 -0.08 -0.48 0.91 -0.85 -0.88 -4.78 117.35 110.68 3ib3 s TYR 384 Ca -0.04 0.09 -0.28 0.00 -0.52 0.00 0.00 57.07 56.31 3ib3 s TYR 384 Cb -0.04 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.34 3ib3 s TYR 384 CO -0.00 -0.34 1.44 0.34 -1.52 0.00 0.00 175.55 175.47 3ib3 s ASP 385 N -1.32 6.20 0.57 -0.18 -1.08 -1.26 -0.40 116.67 119.20 3ib3 s ASP 385 Ca -0.14 0.60 0.26 0.00 -0.52 0.00 0.00 52.55 52.75 3ib3 s ASP 385 Cb -0.06 -2.54 1.65 0.00 -1.46 0.00 0.00 42.92 40.50 3ib3 s ASP 385 CO 0.03 -1.59 2.18 0.77 0.52 0.00 0.00 175.17 177.08 3ib3 h SER 386 N 11.06 0.00 0.15 -0.34 4.64 -1.55 -1.88 113.55 125.62 3ib3 h SER 386 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 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 1.13 0.00 -0.29 -0.62 -0.87 0.00 0.00 176.83 176.18 3ib3 n GLU 387 N -4.00 1.02 -3.50 4.77 1.02 -1.26 -4.17 120.64 114.52 3ib3 n GLU 387 Ca -0.01 -0.69 -0.42 0.00 -0.02 0.00 0.00 57.16 56.02 3ib3 n GLU 387 Cb 0.17 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.45 5.92 0.00 1.62 -1.08 -0.71 -4.96 116.67 115.01 3ib3 s ASP 388 Ca 0.24 -1.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 3ib3 s ASP 388 Cb 0.19 -2.09 0.02 0.00 -1.46 0.00 0.00 42.92 39.57 3ib3 s ASP 388 CO 0.51 -0.55 0.90 0.29 0.52 0.00 0.00 175.17 176.85 3ib3 n LYS 389 N 5.08 0.00 -0.07 4.34 5.02 -1.26 -0.53 118.16 130.74 3ib3 n LYS 389 Ca -0.11 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 3ib3 n LYS 389 Cb 0.44 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.39 2.17 -4.79 1.97 1.13 -1.26 -4.98 117.38 110.24 3ib3 n GLN 390 Ca 0.00 -1.96 -0.33 0.00 -1.94 0.00 0.00 57.00 52.77 3ib3 n GLN 390 Cb 0.00 -1.44 -0.14 0.00 0.11 0.00 0.00 30.24 28.78 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 -1.64 3.07 0.29 -1.09 -0.21 0.31 -5.10 119.66 115.29 3ib3 s GLN 391 Ca 0.30 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 3ib3 s GLN 391 Cb 0.19 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.65 3ib3 s GLN 391 CO 0.28 0.38 0.55 0.16 -2.12 0.00 0.00 175.29 174.53 3ib3 s ASP 392 N -0.08 0.11 0.12 5.90 1.47 -1.26 -4.57 116.67 118.36 3ib3 s ASP 392 Ca -0.02 -1.04 0.08 0.00 1.18 0.00 0.00 52.55 52.76 3ib3 s ASP 392 Cb -0.14 0.65 -0.04 0.00 -0.34 0.00 0.00 42.92 43.06 3ib3 s ASP 392 CO 0.04 -1.27 -0.13 0.68 0.68 0.00 0.00 175.17 175.16 3ib3 s VAL 393 N -3.58 3.12 -0.03 2.11 -7.23 -0.66 -4.90 120.40 109.23 3ib3 s VAL 393 Ca 0.22 -1.44 -0.07 0.00 -1.81 0.00 0.00 61.98 58.88 3ib3 s VAL 393 Cb -0.02 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.47 3ib3 s VAL 393 CO 0.11 0.06 0.17 -0.94 -0.31 0.00 0.00 175.10 174.20 3ib3 s SER 394 N -2.30 -0.09 -0.02 4.85 1.04 -1.26 -0.65 113.70 115.27 3ib3 s SER 394 Ca 0.21 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.79 3ib3 s SER 394 Cb -0.10 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3ib3 s SER 394 CO 0.13 -0.23 -0.23 -0.36 0.98 0.00 0.00 173.24 173.53 3ib3 s PHE 395 N -0.68 2.07 0.13 5.02 0.08 0.35 -4.74 117.98 120.21 3ib3 s PHE 395 Ca -0.08 -0.43 0.08 0.00 0.12 0.00 0.00 56.93 56.63 3ib3 s PHE 395 Cb -0.04 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 3ib3 s PHE 395 CO 0.01 -0.06 -0.19 0.15 -0.10 0.00 0.00 175.22 175.03 3ib3 s LYS 396 N -0.47 1.17 -0.10 0.44 1.02 -0.41 -0.37 119.74 121.03 3ib3 s LYS 396 Ca 0.07 -1.27 -0.04 0.00 0.02 0.00 0.00 55.97 54.74 3ib3 s LYS 396 Cb -0.09 -1.30 0.05 0.00 -0.52 0.00 0.00 37.83 35.96 3ib3 s LYS 396 CO -0.00 0.28 0.22 -0.47 -0.92 0.00 0.00 175.35 174.46 3ib3 s TYR 397 N -1.66 -0.30 -0.22 3.18 5.04 -0.39 -0.95 117.35 122.05 3ib3 s TYR 397 Ca 0.11 0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3ib3 s TYR 397 Cb -0.08 -0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.16 3ib3 s TYR 397 CO 0.05 -0.26 0.04 0.99 -1.34 0.00 0.00 175.55 175.04 3ib3 s THR 398 N 1.70 4.24 0.12 4.34 2.01 -1.26 -0.83 115.64 125.96 3ib3 s THR 398 Ca -0.05 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 3ib3 s THR 398 Cb -0.11 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 3ib3 s THR 398 CO -0.08 0.39 1.08 -0.36 -0.69 0.00 0.00 174.62 174.96 3ib3 s PHE 399 N 1.23 3.61 0.05 4.92 0.08 -0.43 -4.92 117.98 122.51 3ib3 s PHE 399 Ca 0.04 1.58 0.12 0.00 0.12 0.00 0.00 56.93 58.80 3ib3 s PHE 399 Cb -0.14 -3.25 0.09 0.00 -0.57 0.00 0.00 43.02 39.15 3ib3 s PHE 399 CO 0.03 -0.54 1.45 -0.44 -0.10 0.00 0.00 175.22 175.61 3ib3 h ASP 400 N 5.71 0.00 -5.29 1.36 3.32 -1.91 -0.95 116.42 118.66 3ib3 h ASP 400 Ca -0.43 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 3ib3 h ASP 400 Cb 1.21 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 3ib3 h ASP 400 CO 0.74 0.68 -0.51 -1.59 -1.72 0.00 0.00 179.24 176.85 3ib3 s LYS 401 N -3.04 0.91 -0.08 3.56 -2.85 -1.26 -4.76 119.74 112.22 3ib3 s LYS 401 Ca 0.02 -1.23 -0.38 0.00 -1.00 0.00 0.00 55.97 53.38 3ib3 s LYS 401 Cb 0.10 0.29 -0.16 0.00 -2.06 0.00 0.00 37.83 36.00 3ib3 s LYS 401 CO 0.77 -0.28 1.57 -0.25 0.10 0.00 0.00 175.35 177.26 3ib3 n ASP 402 N -0.08 2.18 -3.91 0.03 9.92 -1.26 -3.84 116.55 119.58 3ib3 n ASP 402 Ca -0.10 1.09 -0.17 0.00 -0.53 0.00 0.00 54.79 55.08 3ib3 n ASP 402 Cb 0.63 -1.19 -0.15 0.00 -0.64 0.00 0.00 41.12 39.76 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 2.12 0.37 -0.21 -3.53 2.01 -0.02 -4.88 115.64 111.51 3ib3 s THR 403 Ca 0.91 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.74 3ib3 s THR 403 Cb -0.97 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3ib3 s THR 403 CO 0.55 0.14 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.98 3ib3 s GLU 404 N 0.36 3.48 -0.26 4.92 2.02 -1.26 -0.11 118.70 127.86 3ib3 s GLU 404 Ca -0.04 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.31 3ib3 s GLU 404 Cb -0.07 -3.02 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 3ib3 s GLU 404 CO -0.00 -0.08 0.02 -0.51 0.02 0.00 0.00 175.26 174.71 3ib3 s LEU 405 N 1.21 3.38 -0.21 1.80 1.02 -0.37 -1.15 118.68 124.35 3ib3 s LEU 405 Ca 0.03 -0.51 -0.04 0.00 0.02 0.00 0.00 54.13 53.63 3ib3 s LEU 405 Cb -0.14 -1.82 0.08 0.00 0.02 0.00 0.00 46.19 44.32 3ib3 s LEU 405 CO -0.00 -0.09 0.12 -0.69 0.02 0.00 0.00 176.35 175.71 3ib3 s VAL 406 N 1.50 -0.13 -4.81 -1.59 1.01 -0.23 -1.40 120.40 114.76 3ib3 s VAL 406 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3ib3 s VAL 406 Cb -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3ib3 s VAL 406 CO 0.00 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.32 3ib3 n GLY 407 N 5.28 0.97 0.00 4.51 0.00 -0.18 -4.69 105.19 111.07 3ib3 n GLY 407 Ca -0.06 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 2.11 -0.24 -3.35 1.61 3.02 -1.26 -2.10 115.26 115.06 3ib3 n ASN 408 Ca 0.00 -0.14 0.02 0.00 -0.03 0.00 0.00 54.58 54.43 3ib3 n ASN 408 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.46 -0.86 -0.42 6.41 3.84 -0.95 -4.22 114.94 117.27 3ib3 s ASN 410 Ca 0.00 0.88 -0.17 0.00 0.21 0.00 0.00 52.86 53.78 3ib3 s ASN 410 Cb 0.00 1.86 0.02 0.00 -0.55 0.00 0.00 41.25 42.58 3ib3 s ASN 410 CO 0.00 -0.16 0.41 -0.22 -2.79 0.00 0.00 177.10 174.34 3ib3 s LEU 411 N 2.74 4.92 -0.22 3.21 2.96 -0.65 -0.19 118.68 131.45 3ib3 s LEU 411 Ca 0.02 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.09 3ib3 s LEU 411 Cb -0.10 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 3ib3 s LEU 411 CO -0.17 -0.56 0.20 -0.75 -1.32 0.00 0.00 176.35 173.75 3ib3 s LYS 412 N 2.04 4.13 0.03 1.98 2.20 0.11 0.05 119.74 130.28 3ib3 s LYS 412 Ca 0.11 -0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 3ib3 s LYS 412 Cb -0.18 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3ib3 s LYS 412 CO 0.13 0.10 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.62 3ib3 s LEU 413 N 0.92 2.15 -0.20 5.43 1.43 -0.35 -0.95 118.68 127.12 3ib3 s LEU 413 Ca 0.10 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3ib3 s LEU 413 Cb -0.13 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 3ib3 s LEU 413 CO 0.04 -0.04 0.05 0.26 0.23 0.00 0.00 176.35 176.88 3ib3 s TRP 414 N -0.82 3.14 0.05 0.29 0.52 -1.26 -0.22 118.94 120.65 3ib3 s TRP 414 Ca -0.02 -0.17 -0.03 0.00 0.02 0.00 0.00 56.10 55.90 3ib3 s TRP 414 Cb -0.07 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 3ib3 s TRP 414 CO 0.00 -0.06 0.03 0.14 0.02 0.00 0.00 176.95 177.08 3ib3 s VAL 415 N 0.81 0.18 0.15 4.03 -7.23 -0.77 -0.18 120.40 117.39 3ib3 s VAL 415 Ca 0.03 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 3ib3 s VAL 415 Cb -0.14 -1.21 0.07 0.00 0.56 0.00 0.00 36.38 35.66 3ib3 s VAL 415 CO 0.02 -0.81 0.59 -0.94 -0.31 0.00 0.00 175.10 173.65 3ib3 s SER 416 N -2.57 -0.55 0.00 4.85 1.04 -1.26 -2.01 113.70 113.20 3ib3 s SER 416 Ca 0.01 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.45 3ib3 s SER 416 Cb 0.03 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 3ib3 s SER 416 CO -0.08 -0.96 -0.03 0.28 0.98 0.00 0.00 173.24 173.44 3ib3 s THR 417 N -3.70 0.22 -0.12 2.02 -1.32 -1.26 -4.58 115.64 106.89 3ib3 s THR 417 Ca 0.01 -0.22 -0.01 0.00 -1.21 0.00 0.00 61.69 60.26 3ib3 s THR 417 Cb -0.01 -0.21 -0.24 0.00 -1.51 0.00 0.00 72.50 70.53 3ib3 s THR 417 CO -0.12 -0.00 0.34 1.17 -2.21 0.00 0.00 174.62 173.80 3ib3 n LYS 418 N 2.84 0.72 -0.36 7.08 4.81 -1.26 -4.48 118.16 127.51 3ib3 n LYS 418 Ca -0.14 0.25 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 3ib3 n LYS 418 Cb 0.59 -1.70 0.31 0.00 0.02 0.00 0.00 35.03 34.25 3ib3 n LYS 418 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ib3 n ASP 419 N -3.34 3.89 -3.71 3.14 8.00 -1.26 -4.75 116.55 118.52 3ib3 n ASP 419 Ca -0.31 -2.00 -0.12 0.00 0.71 0.00 0.00 54.79 53.07 3ib3 n ASP 419 Cb 1.05 -0.47 -0.06 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 -1.00 0.39 -0.06 -2.24 0.15 -1.26 -4.78 113.70 104.89 3ib3 s SER 420 Ca 0.47 -1.25 0.11 0.00 0.70 0.00 0.00 55.95 55.98 3ib3 s SER 420 Cb 0.25 0.58 0.32 0.00 -1.71 0.00 0.00 66.02 65.46 3ib3 s SER 420 CO 0.32 -1.15 1.25 -0.90 1.20 0.00 0.00 173.24 173.96 3ib3 n ASP 421 N -0.80 3.01 0.00 5.45 5.75 -1.26 -4.68 116.55 124.01 3ib3 n ASP 421 Ca 0.00 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 3ib3 n ASP 421 Cb 0.62 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.07 0.00 -3.81 -1.12 -0.08 -1.26 -0.41 116.55 109.79 3ib3 n ASP 422 Ca 0.13 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.14 3ib3 n ASP 422 Cb 0.54 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.84 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 1.88 2.54 -0.18 1.67 1.01 -1.26 -4.58 116.67 117.74 3ib3 s ASP 424 Ca 0.00 -0.57 -0.11 0.00 0.71 0.00 0.00 52.55 52.58 3ib3 s ASP 424 Cb 0.00 -0.69 -0.05 0.00 1.01 0.00 0.00 42.92 43.19 3ib3 s ASP 424 CO 0.00 -0.23 0.19 -0.76 0.21 0.00 0.00 175.17 174.59 3ib3 s LEU 425 N 1.79 4.23 -0.28 1.23 1.43 0.11 -4.56 118.68 122.63 3ib3 s LEU 425 Ca 0.01 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3ib3 s LEU 425 Cb -0.15 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.91 3ib3 s LEU 425 CO -0.07 0.16 0.00 -0.36 0.23 0.00 0.00 176.35 176.31 3ib3 s PHE 426 N 0.32 3.16 0.06 0.29 0.08 -0.22 -1.98 117.98 119.69 3ib3 s PHE 426 Ca 0.12 -1.53 0.01 0.00 0.12 0.00 0.00 56.93 55.65 3ib3 s PHE 426 Cb -0.12 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3ib3 s PHE 426 CO 0.01 -0.72 0.12 0.00 -0.10 0.00 0.00 175.22 174.52 3ib3 s ALA 427 N 1.34 3.69 0.05 5.36 0.00 -0.27 -1.05 121.76 130.89 3ib3 s ALA 427 Ca -0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 3ib3 s ALA 427 Cb -0.18 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.39 3ib3 s ALA 427 CO -0.01 0.76 0.32 0.20 0.00 0.00 0.00 175.76 177.03 3ib3 s GLY 428 N -2.28 -0.14 -0.07 0.00 0.00 -0.64 -1.58 107.32 102.60 3ib3 s GLY 428 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 44.72 45.05 3ib3 s GLY 428 CO 0.22 -0.22 -0.18 -0.42 0.00 0.00 0.00 173.10 172.50 3ib3 s ILE 429 N -2.75 2.69 0.11 0.90 -1.09 0.02 -1.39 121.20 119.69 3ib3 s ILE 429 Ca -0.04 -0.83 0.10 0.00 -2.23 0.00 0.00 60.65 57.65 3ib3 s ILE 429 Cb -0.00 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 3ib3 s ILE 429 CO -0.05 0.57 -0.26 -0.54 -1.23 0.00 0.00 174.94 173.43 3ib3 s LYS 430 N -0.24 1.54 -0.20 2.79 1.02 0.87 -1.60 119.74 123.91 3ib3 s LYS 430 Ca 0.00 -1.28 -0.07 0.00 0.02 0.00 0.00 55.97 54.64 3ib3 s LYS 430 Cb -0.13 -1.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 3ib3 s LYS 430 CO 0.03 0.47 0.06 0.21 -0.92 0.00 0.00 175.35 175.19 3ib3 s LYS 431 N -1.90 3.86 -0.17 1.68 2.20 -1.26 -1.83 119.74 122.31 3ib3 s LYS 431 Ca 0.14 -0.40 -0.06 0.00 -0.36 0.00 0.00 55.97 55.29 3ib3 s LYS 431 Cb -0.10 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3ib3 s LYS 431 CO 0.06 0.14 0.03 -0.51 -0.36 0.00 0.00 175.35 174.70 3ib3 s LEU 432 N 0.73 3.59 1.11 5.43 1.02 -0.34 0.63 118.68 130.85 3ib3 s LEU 432 Ca 0.03 -0.01 -0.17 0.00 0.02 0.00 0.00 54.13 54.00 3ib3 s LEU 432 Cb -0.13 -1.90 0.25 0.00 0.02 0.00 0.00 46.19 44.43 3ib3 s LEU 432 CO 0.02 0.16 1.16 1.51 0.02 0.00 0.00 176.35 179.22 3ib3 s ASP 433 N 0.41 1.74 0.34 2.29 1.47 0.95 -1.31 116.67 122.55 3ib3 s ASP 433 Ca 0.00 0.62 0.18 0.00 1.18 0.00 0.00 52.55 54.54 3ib3 s ASP 433 Cb -0.13 -0.88 1.00 0.00 -0.34 0.00 0.00 42.92 42.56 3ib3 s ASP 433 CO 0.01 -3.62 1.51 0.03 0.68 0.00 0.00 175.17 173.79 3ib3 h ARG 434 N -2.24 0.00 -0.34 2.11 3.08 -1.88 0.45 114.38 115.55 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 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ib3 h ARG 434 CO 0.39 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 3ib3 n ARG 435 N -2.19 2.88 -0.36 0.04 1.74 -1.26 -4.96 116.66 112.54 3ib3 n ARG 435 Ca -0.01 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 3ib3 n ARG 435 Cb 0.18 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3ib3 n ARG 435 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ib3 n GLY 436 N 0.45 1.86 3.74 -0.13 0.00 0.15 -5.03 105.19 106.23 3ib3 n GLY 436 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.40 7.45 0.29 1.61 0.01 -1.26 -4.65 114.94 114.99 3ib3 s ASN 437 Ca 0.00 2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 3ib3 s ASN 437 Cb 0.00 -2.61 -0.11 0.00 0.41 0.00 0.00 41.25 38.94 3ib3 s ASN 437 CO 0.00 -0.05 1.53 -0.70 -1.51 0.00 0.00 177.10 176.38 3ib3 s GLU 438 N -0.74 4.16 -0.40 -0.60 2.12 -1.26 -0.03 118.70 121.95 3ib3 s GLU 438 Ca 0.45 2.50 -0.18 0.00 0.36 0.00 0.00 54.97 58.10 3ib3 s GLU 438 Cb -0.27 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.09 3ib3 s GLU 438 CO 0.34 -0.55 0.47 0.08 -0.54 0.00 0.00 175.26 175.05 3ib3 s VAL 439 N -0.16 5.05 0.32 3.70 1.01 0.20 -4.81 120.40 125.71 3ib3 s VAL 439 Ca 0.61 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 3ib3 s VAL 439 Cb -0.46 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 3ib3 s VAL 439 CO 0.49 -0.38 0.79 0.20 0.00 0.00 0.00 175.10 176.20 3ib3 s ASN 440 N 1.82 6.91 0.30 3.32 -0.87 -1.26 -4.45 114.94 120.72 3ib3 s ASN 440 Ca 0.15 1.43 0.06 0.00 -1.57 0.00 0.00 52.86 52.92 3ib3 s ASN 440 Cb -0.16 -2.43 -0.06 0.00 -0.02 0.00 0.00 41.25 38.58 3ib3 s ASN 440 CO 0.14 -0.17 -0.02 -0.36 -2.57 0.00 0.00 177.10 174.12 3ib3 s PHE 441 N -1.90 1.98 0.34 2.20 0.08 -0.75 -3.29 117.98 116.65 3ib3 s PHE 441 Ca 0.53 -0.78 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 3ib3 s PHE 441 Cb -0.12 -1.21 -0.12 0.00 -0.57 0.00 0.00 43.02 41.01 3ib3 s PHE 441 CO 0.18 0.20 1.48 -2.30 -0.10 0.00 0.00 175.22 174.68 3ib3 n PRO 442 N -0.63 2.57 -4.03 0.24 -0.02 -1.26 -1.00 135.00 130.86 3ib3 n PRO 442 Ca -0.04 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3ib3 n PRO 442 Cb 0.65 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.03 0.79 0.15 2.55 -1.08 -0.68 -4.39 116.67 114.03 3ib3 s ASP 443 Ca 0.57 -1.44 -0.20 0.00 -0.52 0.00 0.00 52.55 50.96 3ib3 s ASP 443 Cb -0.50 0.71 -0.07 0.00 -1.46 0.00 0.00 42.92 41.59 3ib3 s ASP 443 CO 0.59 -1.39 0.65 0.12 0.52 0.00 0.00 175.17 175.66 3ib3 s PHE 444 N -2.85 3.74 -0.46 -5.34 5.36 -0.60 -1.22 117.98 116.61 3ib3 s PHE 444 Ca 0.28 1.33 -0.14 0.00 -0.96 0.00 0.00 56.93 57.44 3ib3 s PHE 444 Cb -0.01 -2.56 0.07 0.00 -0.34 0.00 0.00 43.02 40.18 3ib3 s PHE 444 CO 0.19 0.47 0.36 1.21 -1.46 0.00 0.00 175.22 175.99 3ib3 s ASN 445 N -1.40 6.03 -1.36 6.13 3.84 -1.26 -4.55 114.94 122.37 3ib3 s ASN 445 Ca 0.36 -1.37 -0.03 0.00 0.21 0.00 0.00 52.86 52.03 3ib3 s ASN 445 Cb -0.18 -2.14 -0.00 0.00 -0.55 0.00 0.00 41.25 38.38 3ib3 s ASN 445 CO 0.21 -0.62 0.49 1.41 -2.79 0.00 0.00 177.10 175.80 3ib3 n HIS 446 N 5.14 -1.70 -3.94 0.43 8.25 -0.95 -4.56 115.22 117.88 3ib3 n HIS 446 Ca -0.12 0.72 -0.31 0.00 -0.26 0.00 0.00 57.72 57.75 3ib3 n HIS 446 Cb 0.43 -3.78 -0.05 0.00 1.12 0.00 0.00 29.99 27.72 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 -3.87 5.26 -1.86 1.59 -4.36 -0.36 -4.73 121.20 112.88 3ib3 s ILE 447 Ca 0.06 -0.41 0.16 0.00 -0.26 0.00 0.00 60.65 60.19 3ib3 s ILE 447 Cb -0.02 -3.54 0.10 0.00 1.25 0.00 0.00 42.46 40.25 3ib3 s ILE 447 CO 0.88 0.17 0.96 -0.62 0.24 0.00 0.00 174.94 176.57 3ib3 n GLU 448 N 0.42 1.27 -1.77 0.37 1.02 -1.26 -1.69 120.64 119.00 3ib3 n GLU 448 Ca -0.06 -1.32 -0.28 0.00 -0.02 0.00 0.00 57.16 55.47 3ib3 n GLU 448 Cb 0.51 -1.29 0.04 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.71 5.97 -3.75 1.62 6.94 -1.26 -4.40 115.26 121.08 3ib3 n ASN 449 Ca 0.09 -3.76 -0.26 0.00 -0.02 0.00 0.00 54.58 50.63 3ib3 n ASN 449 Cb 0.38 -0.58 0.17 0.00 -2.36 0.00 0.00 39.78 37.39 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 -0.78 -1.25 0.00 4.83 0.00 -0.17 -4.83 105.19 102.99 3ib3 n GLY 450 Ca 0.51 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 2.91 -0.07 1.61 10.64 -1.26 -1.81 117.38 125.99 3ib3 n GLN 451 Ca 0.15 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.20 3ib3 n GLN 451 Cb 0.51 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.80 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 0.38 1.15 -3.69 -0.39 2.07 -1.62 -3.40 116.25 110.75 3ib3 h VAL 452 Ca 0.00 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 3ib3 h VAL 452 Cb 0.00 2.24 -0.14 0.00 -1.52 0.00 0.00 31.29 31.87 3ib3 h VAL 452 CO 0.00 0.39 -0.32 0.00 0.02 0.00 0.00 177.57 177.66 3ib3 s ALA 453 N -2.35 -0.37 0.01 1.67 0.00 -1.07 -4.78 121.76 114.87 3ib3 s ALA 453 Ca -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 3ib3 s ALA 453 Cb -0.01 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 3ib3 s ALA 453 CO 0.49 -0.51 0.04 0.99 0.00 0.00 0.00 175.76 176.78 3ib3 s THR 454 N -3.63 0.08 0.21 0.00 2.01 -1.26 -0.80 115.64 112.25 3ib3 s THR 454 Ca 0.03 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 3ib3 s THR 454 Cb 0.03 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.28 3ib3 s THR 454 CO -0.10 -0.37 0.57 -0.83 -0.69 0.00 0.00 174.62 173.21 3ib3 s GLY 455 N -1.16 -0.10 0.08 4.40 0.00 -0.61 -2.06 107.32 107.86 3ib3 s GLY 455 Ca -0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.29 3ib3 s GLY 455 CO 0.00 -0.20 0.20 -0.98 0.00 0.00 0.00 173.10 172.12 3ib3 s TRP 456 N -3.88 0.12 -0.29 1.90 0.51 -1.26 -1.11 118.94 114.93 3ib3 s TRP 456 Ca 0.10 -0.51 -0.16 0.00 -2.12 0.00 0.00 56.10 53.41 3ib3 s TRP 456 Cb -0.02 -0.04 0.15 0.00 -0.81 0.00 0.00 33.47 32.74 3ib3 s TRP 456 CO -0.01 -0.53 0.98 -1.17 -0.51 0.00 0.00 176.95 175.71 3ib3 s LEU 457 N -2.71 -0.51 -0.32 2.99 2.96 -0.84 -4.30 118.68 115.95 3ib3 s LEU 457 Ca 0.03 0.80 -0.21 0.00 -0.22 0.00 0.00 54.13 54.53 3ib3 s LEU 457 Cb 0.04 1.73 -0.00 0.00 0.50 0.00 0.00 46.19 48.45 3ib3 s LEU 457 CO -0.10 -0.13 0.66 -0.60 -1.32 0.00 0.00 176.35 174.87 3ib3 s ARG 458 N 1.39 3.85 0.60 1.98 3.52 -0.13 0.06 118.95 130.22 3ib3 s ARG 458 Ca -0.09 0.28 0.37 0.00 -0.13 0.00 0.00 55.73 56.16 3ib3 s ARG 458 Cb -0.04 -3.75 1.93 0.00 -1.56 0.00 0.00 34.95 31.53 3ib3 s ARG 458 CO -0.15 -0.64 2.21 0.28 -0.81 0.00 0.00 175.30 176.19 3ib3 h VAL 459 N 5.59 0.17 0.00 7.11 2.07 -1.95 0.36 116.25 129.60 3ib3 h VAL 459 Ca -0.26 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ib3 h VAL 459 Cb 1.11 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3ib3 h VAL 459 CO 0.83 0.03 0.00 0.77 0.02 0.00 0.00 177.57 179.21 3ib3 h SER 460 N 0.00 0.00 -0.66 0.57 4.64 -1.91 -2.68 113.55 113.51 3ib3 h SER 460 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ib3 h SER 460 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ib3 h SER 460 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3ib3 n HIS 461 N -2.64 1.22 0.37 4.77 8.25 0.13 -0.05 115.22 127.26 3ib3 n HIS 461 Ca 0.01 -0.53 0.12 0.00 -0.26 0.00 0.00 57.72 57.06 3ib3 n HIS 461 Cb 0.24 -0.13 0.51 0.00 1.12 0.00 0.00 29.99 31.73 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 1.30 0.20 -1.74 -0.41 1.85 -1.01 -4.55 116.66 112.30 3ib3 n ARG 462 Ca 0.24 0.45 -0.42 0.00 -1.00 0.00 0.00 57.85 57.13 3ib3 n ARG 462 Cb 0.74 -1.90 -0.03 0.00 -1.05 0.00 0.00 32.46 30.22 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 -3.36 4.15 0.05 2.89 2.12 -1.26 -4.76 118.70 118.53 3ib3 s GLU 463 Ca 0.03 2.56 -0.23 0.00 0.36 0.00 0.00 54.97 57.69 3ib3 s GLU 463 Cb 0.09 -3.79 -0.06 0.00 0.26 0.00 0.00 34.13 30.63 3ib3 s GLU 463 CO 0.38 -0.87 0.70 -0.51 -0.54 0.00 0.00 175.26 174.42 3ib3 s LEU 464 N 3.32 4.47 -0.71 2.70 1.43 -1.26 -2.35 118.68 126.28 3ib3 s LEU 464 Ca 0.82 1.38 -0.26 0.00 -1.03 0.00 0.00 54.13 55.04 3ib3 s LEU 464 Cb -0.44 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 42.70 3ib3 s LEU 464 CO 0.37 0.10 1.19 -0.62 0.23 0.00 0.00 176.35 177.63 3ib3 s ASP 465 N -0.39 6.18 0.24 2.29 -1.08 0.31 -4.76 116.67 119.45 3ib3 s ASP 465 Ca 0.35 -0.55 -0.05 0.00 -0.52 0.00 0.00 52.55 51.77 3ib3 s ASP 465 Cb -0.20 -2.52 0.39 0.00 -1.46 0.00 0.00 42.92 39.13 3ib3 s ASP 465 CO 0.21 -1.72 1.77 1.56 0.52 0.00 0.00 175.17 177.52 3ib3 h GLN 466 N 9.89 0.59 -0.40 4.34 1.08 -1.94 -1.57 115.11 127.10 3ib3 h GLN 466 Ca -0.28 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 56.78 3ib3 h GLN 466 Cb 1.06 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 3ib3 h GLN 466 CO 1.25 0.39 -0.16 0.93 -0.95 0.00 0.00 178.83 180.29 3ib3 h GLU 467 N 0.61 0.74 0.00 1.46 3.07 -1.96 -3.18 114.58 115.32 3ib3 h GLU 467 Ca 0.38 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3ib3 h GLU 467 Cb 0.45 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3ib3 h GLU 467 CO -0.30 0.86 -0.75 0.87 -1.40 0.00 0.00 179.01 178.29 3ib3 h LYS 468 N 0.67 0.00 -6.94 2.33 1.57 -1.76 -3.46 116.57 108.97 3ib3 h LYS 468 Ca 0.11 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.39 3ib3 h LYS 468 Cb 0.64 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.98 3ib3 h LYS 468 CO 0.05 0.10 0.44 -1.12 -0.57 0.00 0.00 179.45 178.35 3ib3 s SER 469 N -5.77 6.72 0.40 0.86 0.01 -0.65 -4.73 113.70 110.54 3ib3 s SER 469 Ca 0.02 2.15 0.04 0.00 1.31 0.00 0.00 55.95 59.47 3ib3 s SER 469 Cb 0.08 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3ib3 s SER 469 CO 0.76 -0.52 0.04 -0.94 0.41 0.00 0.00 173.24 172.98 3ib3 s SER 470 N -1.37 3.31 0.28 2.44 1.04 -0.11 -4.96 113.70 114.32 3ib3 s SER 470 Ca 0.56 -1.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3ib3 s SER 470 Cb -0.26 0.01 0.59 0.00 0.10 0.00 0.00 66.02 66.47 3ib3 s SER 470 CO 0.32 -0.65 1.60 -0.29 0.98 0.00 0.00 173.24 175.21 3ib3 h ILE 471 N 1.79 0.18 0.00 -1.02 6.09 -2.01 -2.27 117.51 120.28 3ib3 h ILE 471 Ca -0.42 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 3ib3 h ILE 471 Cb 1.26 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3ib3 h ILE 471 CO 0.73 0.01 -1.07 0.00 -3.07 0.00 0.00 178.15 174.75 3ib3 n ALA 472 N -3.05 4.44 -3.46 0.18 0.00 -1.26 -4.75 120.51 112.60 3ib3 n ALA 472 Ca 0.18 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 3ib3 n ALA 472 Cb 0.61 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 -3.06 0.28 0.67 0.00 0.74 -0.85 -3.00 119.66 114.43 3ib3 s GLN 473 Ca 0.06 -0.37 -0.14 0.00 0.05 0.00 0.00 55.36 54.97 3ib3 s GLN 473 Cb 0.16 -0.90 0.00 0.00 1.10 0.00 0.00 33.01 33.37 3ib3 s GLN 473 CO 0.86 -1.03 1.09 -1.25 -0.55 0.00 0.00 175.29 174.41 3ib3 s PRO 474 N 2.19 2.82 -0.07 1.67 0.04 -1.25 -0.94 135.00 139.45 3ib3 s PRO 474 Ca 0.10 1.30 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 3ib3 s PRO 474 Cb -0.15 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3ib3 s PRO 474 CO -0.33 -1.22 -0.01 -0.46 0.04 0.00 0.00 177.00 175.02 3ib3 s TRP 475 N -2.49 0.74 -0.08 0.56 -0.11 -1.26 -4.78 118.94 111.52 3ib3 s TRP 475 Ca 0.65 -0.22 -0.11 0.00 1.22 0.00 0.00 56.10 57.64 3ib3 s TRP 475 Cb -0.19 -0.84 -0.05 0.00 -1.50 0.00 0.00 33.47 30.90 3ib3 s TRP 475 CO 0.44 -0.34 0.26 -1.01 -4.62 0.00 0.00 176.95 171.67 3ib3 s HIS 476 N 1.93 3.63 0.21 5.86 3.76 -1.26 -0.53 115.29 128.88 3ib3 s HIS 476 Ca 0.05 0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 55.56 3ib3 s HIS 476 Cb -0.12 -2.12 0.15 0.00 1.11 0.00 0.00 32.58 31.59 3ib3 s HIS 476 CO -0.05 0.63 1.87 0.87 -0.85 0.00 0.00 174.74 177.21 3ib3 h LYS 477 N 5.12 0.94 -6.54 1.40 1.57 -1.76 -3.44 116.57 113.85 3ib3 h LYS 477 Ca -0.52 -0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 57.69 3ib3 h LYS 477 Cb 1.22 -0.21 -0.12 0.00 0.08 0.00 0.00 32.23 33.20 3ib3 h LYS 477 CO 0.62 0.62 -0.82 0.72 -0.57 0.00 0.00 179.45 180.02 3ib3 n HIS 478 N -4.59 -1.90 -0.10 -1.35 8.25 -1.26 -4.67 115.22 109.59 3ib3 n HIS 478 Ca 0.07 0.82 -0.12 0.00 -0.26 0.00 0.00 57.72 58.23 3ib3 n HIS 478 Cb 0.03 -3.46 -0.15 0.00 1.12 0.00 0.00 29.99 27.53 3ib3 n HIS 478 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3ib3 n GLU 479 N -4.47 0.68 -3.92 -0.41 2.13 -1.26 -0.40 120.64 112.98 3ib3 n GLU 479 Ca -0.02 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.75 3ib3 n GLU 479 Cb 0.54 -1.53 -0.12 0.00 0.27 0.00 0.00 31.44 30.60 3ib3 n GLU 479 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3ib3 s THR 480 N -2.50 0.06 -0.25 6.31 2.01 -1.26 -4.85 115.64 115.15 3ib3 s THR 480 Ca -0.17 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 3ib3 s THR 480 Cb 0.07 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.34 3ib3 s THR 480 CO 0.76 -0.28 0.17 -1.61 -0.69 0.00 0.00 174.62 172.97 3ib3 s GLU 481 N -0.85 4.01 -0.91 4.92 2.02 -1.26 -4.69 118.70 121.94 3ib3 s GLU 481 Ca -0.09 -0.30 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 3ib3 s GLU 481 Cb -0.06 -3.57 0.23 0.00 0.10 0.00 0.00 34.13 30.83 3ib3 s GLU 481 CO -0.00 -0.04 0.83 -0.51 0.02 0.00 0.00 175.26 175.56 3ib3 s LEU 482 N 1.34 6.09 0.83 1.80 1.43 0.92 -5.02 118.68 126.07 3ib3 s LEU 482 Ca 0.07 -3.28 -0.11 0.00 -1.03 0.00 0.00 54.13 49.79 3ib3 s LEU 482 Cb -0.15 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.09 3ib3 s LEU 482 CO 0.07 -0.35 1.10 -0.54 0.23 0.00 0.00 176.35 176.86 3ib3 s LYS 483 N -0.72 1.74 0.10 1.70 -0.14 -1.26 -4.35 119.74 116.80 3ib3 s LYS 483 Ca 0.24 1.12 0.08 0.00 -1.36 0.00 0.00 55.97 56.05 3ib3 s LYS 483 Cb -0.11 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 3ib3 s LYS 483 CO -0.09 -1.99 -0.15 -0.51 -0.76 0.00 0.00 175.35 171.85 3ib3 s LEU 484 N -6.13 2.80 0.68 3.17 1.43 0.45 -5.03 118.68 116.05 3ib3 s LEU 484 Ca 0.63 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3ib3 s LEU 484 Cb -0.18 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3ib3 s LEU 484 CO 0.57 0.19 1.00 -0.94 0.23 0.00 0.00 176.35 177.40 3ib3 s SER 485 N -2.02 5.06 -0.74 2.29 1.04 -1.26 -4.34 113.70 113.73 3ib3 s SER 485 Ca 0.18 0.60 -0.19 0.00 0.48 0.00 0.00 55.95 57.03 3ib3 s SER 485 Cb -0.11 -1.35 0.13 0.00 0.10 0.00 0.00 66.02 64.79 3ib3 s SER 485 CO 0.10 -1.45 0.88 -1.58 0.98 0.00 0.00 173.24 172.18 3ib3 s GLN 486 N -5.21 3.32 -0.33 4.02 0.74 -1.26 -1.89 119.66 119.05 3ib3 s GLN 486 Ca 0.58 -1.58 0.02 0.00 0.05 0.00 0.00 55.36 54.44 3ib3 s GLN 486 Cb -0.11 -4.49 0.15 0.00 1.10 0.00 0.00 33.01 29.66 3ib3 s GLN 486 CO 0.46 -1.61 0.38 0.16 -0.55 0.00 0.00 175.29 174.13 3ib3 s ASP 487 N 3.41 0.86 0.55 6.67 1.47 -1.26 -5.05 116.67 123.30 3ib3 s ASP 487 Ca 0.21 -0.94 -0.17 0.00 1.18 0.00 0.00 52.55 52.83 3ib3 s ASP 487 Cb -0.15 0.82 -0.06 0.00 -0.34 0.00 0.00 42.92 43.19 3ib3 s ASP 487 CO -0.01 -0.32 1.03 -1.83 0.68 0.00 0.00 175.17 174.72 3ib3 s GLU 488 N 2.05 3.63 -0.43 2.11 -1.05 -0.79 -4.85 118.70 119.35 3ib3 s GLU 488 Ca 0.13 1.13 -0.10 0.00 -0.15 0.00 0.00 54.97 55.98 3ib3 s GLU 488 Cb -0.13 -2.08 0.08 0.00 -0.44 0.00 0.00 34.13 31.56 3ib3 s GLU 488 CO -0.20 -0.55 0.28 0.42 0.95 0.00 0.00 175.26 176.17 3ib3 s ILE 489 N -2.46 4.29 0.05 1.83 1.01 -1.26 -4.43 121.20 120.23 3ib3 s ILE 489 Ca 0.62 -1.44 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3ib3 s ILE 489 Cb -0.14 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3ib3 s ILE 489 CO 0.32 -0.56 -0.01 0.68 0.00 0.00 0.00 174.94 175.38 3ib3 s VAL 490 N 1.43 4.01 0.00 2.92 -7.23 -0.85 -4.85 120.40 115.83 3ib3 s VAL 490 Ca 0.04 -0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 59.09 3ib3 s VAL 490 Cb -0.24 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 3ib3 s VAL 490 CO 0.02 0.24 0.94 -2.16 -0.31 0.00 0.00 175.10 173.83 3ib3 s PRO 491 N -1.93 4.56 0.19 4.82 0.04 -1.26 -1.85 135.00 139.56 3ib3 s PRO 491 Ca 0.22 1.34 0.10 0.00 0.04 0.00 0.00 61.00 62.71 3ib3 s PRO 491 Cb -0.12 -3.45 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 3ib3 s PRO 491 CO 0.14 -0.00 -0.22 0.14 0.04 0.00 0.00 177.00 177.10 3ib3 s VAL 492 N 0.86 2.18 -0.12 -0.36 -7.23 0.70 -4.99 120.40 111.43 3ib3 s VAL 492 Ca 0.49 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 3ib3 s VAL 492 Cb -0.21 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.70 3ib3 s VAL 492 CO 0.27 -0.20 -0.19 -1.61 -0.31 0.00 0.00 175.10 173.05 3ib3 s GLU 493 N -2.77 2.68 -0.21 4.82 2.02 -1.26 -1.21 118.70 122.78 3ib3 s GLU 493 Ca 0.20 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.39 3ib3 s GLU 493 Cb -0.07 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 3ib3 s GLU 493 CO 0.09 -0.01 0.04 0.42 0.02 0.00 0.00 175.26 175.83 3ib3 s ILE 494 N 0.82 4.35 -0.61 -1.63 1.01 0.11 -4.90 121.20 120.35 3ib3 s ILE 494 Ca -0.08 -0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 3ib3 s ILE 494 Cb -0.16 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.35 3ib3 s ILE 494 CO -0.00 0.41 1.26 -0.70 0.00 0.00 0.00 174.94 175.90 3ib3 s GLU 495 N 0.97 3.40 -0.06 2.79 2.12 -1.26 -1.64 118.70 125.01 3ib3 s GLU 495 Ca 0.03 0.19 -0.26 0.00 0.36 0.00 0.00 54.97 55.29 3ib3 s GLU 495 Cb -0.14 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 3ib3 s GLU 495 CO 0.02 -1.83 0.82 -0.51 -0.54 0.00 0.00 175.26 173.23 3ib3 s LEU 496 N 5.35 4.31 0.69 2.70 1.43 -1.26 -4.11 118.68 127.78 3ib3 s LEU 496 Ca 0.43 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 3ib3 s LEU 496 Cb -0.08 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 42.86 3ib3 s LEU 496 CO 0.23 -0.22 1.07 -0.76 0.23 0.00 0.00 176.35 176.90 3ib3 s LEU 497 N 1.14 3.21 0.18 1.79 1.43 -0.87 -4.73 118.68 120.82 3ib3 s LEU 497 Ca 0.43 1.73 -0.33 0.00 -1.03 0.00 0.00 54.13 54.93 3ib3 s LEU 497 Cb -0.19 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.38 3ib3 s LEU 497 CO 0.20 -1.53 1.44 -2.65 0.23 0.00 0.00 176.35 174.04 3ib3 n PRO 498 N -2.93 1.85 -3.95 1.29 -0.02 -1.26 -4.64 135.00 125.33 3ib3 n PRO 498 Ca 0.08 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3ib3 n PRO 498 Cb 0.53 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.52 0.22 -0.19 2.55 1.04 -0.89 -4.77 113.70 112.18 3ib3 s SER 499 Ca 0.75 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.61 3ib3 s SER 499 Cb -0.73 0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.64 3ib3 s SER 499 CO 0.45 -0.48 -0.06 -0.83 0.98 0.00 0.00 173.24 173.29 3ib3 s GLY 500 N -2.09 1.07 0.00 7.32 0.00 -1.26 -1.01 107.32 111.36 3ib3 s GLY 500 Ca -0.06 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.59 3ib3 s GLY 500 CO -0.04 0.90 0.14 -1.59 0.00 0.00 0.00 173.10 172.50 3ib3 s THR 501 N 1.55 0.08 -0.18 0.90 2.01 -0.49 -2.39 115.64 117.11 3ib3 s THR 501 Ca -0.01 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 3ib3 s THR 501 Cb -0.16 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3ib3 s THR 501 CO -0.08 -0.38 0.06 -0.22 -0.69 0.00 0.00 174.62 173.31 3ib3 s LEU 502 N -1.37 3.79 -0.36 4.42 2.96 0.17 -1.24 118.68 127.05 3ib3 s LEU 502 Ca -0.15 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3ib3 s LEU 502 Cb -0.08 -1.95 0.07 0.00 0.50 0.00 0.00 46.19 44.74 3ib3 s LEU 502 CO 0.02 0.19 0.11 -0.36 -1.32 0.00 0.00 176.35 174.98 3ib3 s PHE 503 N 0.30 3.40 0.68 5.38 0.08 0.85 -4.76 117.98 123.90 3ib3 s PHE 503 Ca 0.03 -1.99 -0.16 0.00 0.12 0.00 0.00 56.93 54.93 3ib3 s PHE 503 Cb -0.12 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3ib3 s PHE 503 CO 0.00 -0.86 1.18 0.15 -0.10 0.00 0.00 175.22 175.59 3ib3 s LYS 504 N 1.24 2.49 -0.30 0.44 1.02 -1.26 -0.84 119.74 122.54 3ib3 s LYS 504 Ca 0.01 1.66 -0.41 0.00 0.02 0.00 0.00 55.97 57.26 3ib3 s LYS 504 Cb -0.21 -1.89 -0.18 0.00 -0.52 0.00 0.00 37.83 35.03 3ib3 s LYS 504 CO -0.01 -1.54 1.29 0.94 -0.92 0.00 0.00 175.35 175.11 3ib3 n GLN 505 N -2.41 0.00 0.00 1.68 7.27 -1.25 -1.05 117.38 121.62 3ib3 n GLN 505 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 3ib3 n GLN 505 Cb 0.51 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.79 3ib3 n GLN 505 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ib3 n GLY 506 N 2.86 2.48 3.92 1.69 0.00 -0.36 -4.93 105.19 110.84 3ib3 n GLY 506 Ca 0.25 0.00 -0.26 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 -0.92 2.49 -0.01 1.61 2.02 -0.22 -4.34 118.70 119.33 3ib3 s GLU 507 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 54.97 54.91 3ib3 s GLU 507 Cb 0.00 -2.19 -0.00 0.00 0.10 0.00 0.00 34.13 32.04 3ib3 s GLU 507 CO 0.00 -1.05 -0.09 0.99 0.02 0.00 0.00 175.26 175.14 3ib3 s THR 508 N -3.17 0.71 -0.17 3.63 2.01 -0.43 -1.31 115.64 116.90 3ib3 s THR 508 Ca 0.58 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 3ib3 s THR 508 Cb -0.11 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3ib3 s THR 508 CO 0.45 0.21 0.18 -0.22 -0.69 0.00 0.00 174.62 174.55 3ib3 s LEU 509 N -0.06 4.25 -0.10 4.42 0.20 -0.01 -1.20 118.68 126.18 3ib3 s LEU 509 Ca 0.01 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.20 3ib3 s LEU 509 Cb -0.05 -2.17 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 3ib3 s LEU 509 CO -0.00 0.20 -0.15 -0.70 -0.29 0.00 0.00 176.35 175.40 3ib3 s GLU 510 N 0.15 2.19 -0.19 1.98 2.12 -0.76 -1.26 118.70 122.92 3ib3 s GLU 510 Ca 0.11 -0.55 -0.08 0.00 0.36 0.00 0.00 54.97 54.81 3ib3 s GLU 510 Cb -0.12 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.38 3ib3 s GLU 510 CO 0.01 -0.05 0.09 0.08 -0.54 0.00 0.00 175.26 174.84 3ib3 s VAL 511 N 0.96 5.00 -0.10 3.70 1.01 0.50 -0.09 120.40 131.38 3ib3 s VAL 511 Ca -0.07 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3ib3 s VAL 511 Cb -0.15 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 3ib3 s VAL 511 CO -0.01 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.62 3ib3 s VAL 512 N 0.45 2.18 -0.04 2.92 1.01 -0.49 -0.50 120.40 125.94 3ib3 s VAL 512 Ca 0.05 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.11 3ib3 s VAL 512 Cb -0.12 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3ib3 s VAL 512 CO -0.00 0.56 -0.22 -0.69 0.00 0.00 0.00 175.10 174.75 3ib3 s VAL 513 N 0.34 2.41 0.14 2.92 1.01 0.18 -1.63 120.40 125.77 3ib3 s VAL 513 Ca -0.18 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 3ib3 s VAL 513 Cb -0.18 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.36 3ib3 s VAL 513 CO 0.09 0.58 0.45 -0.75 0.00 0.00 0.00 175.10 175.47 3ib3 s LYS 514 N -0.50 1.14 0.00 2.72 2.20 -0.22 -1.66 119.74 123.42 3ib3 s LYS 514 Ca 0.07 -0.67 0.25 0.00 -0.36 0.00 0.00 55.97 55.26 3ib3 s LYS 514 Cb -0.11 0.50 0.52 0.00 -1.51 0.00 0.00 37.83 37.23 3ib3 s LYS 514 CO 0.01 -0.46 1.45 0.41 -0.36 0.00 0.00 175.35 176.39 3ib3 n GLY 515 N -0.27 0.67 3.01 5.54 0.00 -1.26 -1.05 105.19 111.83 3ib3 n GLY 515 Ca -0.16 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.91 -1.21 -4.60 1.61 3.41 -1.26 -4.83 113.62 107.65 3ib3 n SER 516 Ca 0.16 -2.70 -0.50 0.00 -0.26 0.00 0.00 58.87 55.57 3ib3 n SER 516 Cb 0.50 2.26 -0.05 0.00 -0.26 0.00 0.00 64.21 66.66 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 -0.52 1.29 0.06 4.33 4.07 -1.26 -4.76 120.64 123.85 3ib3 n GLU 517 Ca 0.01 0.46 -0.03 0.00 -0.06 0.00 0.00 57.16 57.54 3ib3 n GLU 517 Cb 0.53 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.81 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 3.14 0.00 -3.41 6.31 2.04 -1.93 -3.41 117.51 120.25 3ib3 h ILE 518 Ca -0.46 -0.48 -0.54 0.00 1.00 0.00 0.00 64.86 64.38 3ib3 h ILE 518 Cb 1.33 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3ib3 h ILE 518 CO 0.76 0.00 0.35 -0.69 0.00 0.00 0.00 178.15 178.58 3ib3 s VAL 519 N -2.17 4.88 -0.04 1.67 1.01 -1.26 -5.03 120.40 119.45 3ib3 s VAL 519 Ca -0.03 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.03 3ib3 s VAL 519 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 3ib3 s VAL 519 CO 0.09 0.16 -0.23 -0.51 0.00 0.00 0.00 175.10 174.61 3ib3 s ILE 520 N 1.01 2.23 0.00 2.22 1.10 -1.26 -5.03 121.20 121.47 3ib3 s ILE 520 Ca 0.51 -1.02 0.00 0.00 -0.51 0.00 0.00 60.65 59.63 3ib3 s ILE 520 Cb -0.21 -1.81 0.00 0.00 0.15 0.00 0.00 42.46 40.60 3ib3 s ILE 520 CO 0.27 0.58 0.00 0.61 -2.11 0.00 0.00 174.94 174.29 3ib3 n GLY 521 N 2.64 0.48 0.00 1.50 0.00 -1.26 -5.10 105.19 103.45 3ib3 n GLY 521 Ca -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.24 0.58 -1.27 1.61 0.23 -1.26 -5.01 115.26 109.91 3ib3 n ASN 522 Ca 0.00 -0.63 0.11 0.00 -0.53 0.00 0.00 54.58 53.53 3ib3 n ASN 522 Cb 0.00 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.00 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 -1.53 3.83 -3.14 0.53 3.41 -1.26 -4.64 113.62 110.82 3ib3 n SER 523 Ca 0.00 -2.00 -0.20 0.00 -0.26 0.00 0.00 58.87 56.41 3ib3 n SER 523 Cb 0.00 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.45 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 1.51 -0.42 -1.67 6.66 -2.24 -1.26 -4.73 114.28 112.13 3ib3 n THR 524 Ca 0.23 -3.94 -0.59 0.00 -2.27 0.00 0.00 64.05 57.47 3ib3 n THR 524 Cb 0.60 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.94 0.75 -0.93 -0.78 -0.02 -1.26 -4.59 135.00 129.10 3ib3 n PRO 525 Ca 0.21 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3ib3 n PRO 525 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 3.54 0.70 2.24 -1.23 0.00 -1.26 -5.16 105.19 104.02 3ib3 n GLY 526 Ca 0.25 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.33 0.74 0.12 1.61 5.02 -1.26 -5.25 118.16 118.81 3ib3 n LYS 528 Ca 0.00 -3.11 0.12 0.00 -2.02 0.00 0.00 58.31 53.30 3ib3 n LYS 528 Cb 0.21 -1.27 0.14 0.00 -0.02 0.00 0.00 35.03 34.09 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 2.00 0.00 -2.29 -0.18 1.35 -1.91 -2.98 112.91 108.89 3ib3 h THR 529 Ca 0.05 -0.78 -0.46 0.00 -0.55 0.00 0.00 66.41 64.67 3ib3 h THR 529 Cb 0.90 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3ib3 h THR 529 CO 0.45 0.00 -0.37 -0.60 -0.25 0.00 0.00 175.52 174.75 3ib3 s ARG 530 N -3.24 3.42 0.79 4.72 3.52 -1.26 -4.48 118.95 122.42 3ib3 s ARG 530 Ca 0.05 -0.69 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 3ib3 s ARG 530 Cb 0.10 -2.84 0.05 0.00 -1.56 0.00 0.00 34.95 30.70 3ib3 s ARG 530 CO 0.72 0.34 1.02 2.48 -0.81 0.00 0.00 175.30 179.05 3ib3 n TYR 531 N -1.51 0.72 -4.04 5.12 0.18 -1.26 -1.43 117.16 114.95 3ib3 n TYR 531 Ca -0.07 0.38 -0.08 0.00 1.88 0.00 0.00 57.90 60.01 3ib3 n TYR 531 Cb 0.57 -2.06 -0.10 0.00 -0.38 0.00 0.00 39.34 37.37 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 -3.74 0.56 -0.38 -3.48 2.02 -1.26 -4.75 118.70 107.66 3ib3 s GLU 532 Ca 0.71 -1.04 0.13 0.00 0.02 0.00 0.00 54.97 54.79 3ib3 s GLU 532 Cb -0.31 0.20 0.38 0.00 0.10 0.00 0.00 34.13 34.51 3ib3 s GLU 532 CO 0.52 -0.11 0.83 0.72 0.02 0.00 0.00 175.26 177.25 3ib3 n HIS 533 N 0.47 1.02 0.12 1.61 8.25 -1.26 -0.53 115.22 124.90 3ib3 n HIS 533 Ca -0.17 -3.52 -0.01 0.00 -0.26 0.00 0.00 57.72 53.77 3ib3 n HIS 533 Cb 0.60 -0.40 0.25 0.00 1.12 0.00 0.00 29.99 31.55 3ib3 n HIS 533 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ib3 h GLU 534 N 2.98 0.14 -6.21 -0.41 4.39 -1.94 -3.41 114.58 110.12 3ib3 h GLU 534 Ca 0.06 -0.07 -0.59 0.00 0.34 0.00 0.00 59.36 59.10 3ib3 h GLU 534 Cb 0.98 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 3ib3 h GLU 534 CO 0.55 0.56 0.68 -1.21 -1.16 0.00 0.00 179.01 178.43 3ib3 s GLU 535 N -4.06 3.83 0.07 2.33 2.02 -1.26 -5.00 118.70 116.64 3ib3 s GLU 535 Ca -0.04 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.61 3ib3 s GLU 535 Cb 0.13 -3.82 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 3ib3 s GLU 535 CO 0.76 -1.02 -0.12 -0.08 0.02 0.00 0.00 175.26 174.82 3ib3 s THR 536 N 3.65 0.95 -2.83 3.63 -1.32 -1.26 -4.70 115.64 113.75 3ib3 s THR 536 Ca 0.40 -1.33 0.24 0.00 -1.21 0.00 0.00 61.69 59.80 3ib3 s THR 536 Cb -0.11 -1.03 0.27 0.00 -1.51 0.00 0.00 72.50 70.12 3ib3 s THR 536 CO 0.21 -0.33 1.32 1.33 -2.21 0.00 0.00 174.62 174.94 3ib3 n VAL 537 N 1.16 0.14 -2.14 5.08 0.24 -1.26 -5.00 118.33 116.54 3ib3 n VAL 537 Ca -0.20 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.12 3ib3 n VAL 537 Cb 0.55 1.30 -0.03 0.00 -1.47 0.00 0.00 33.84 34.20 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 -1.86 6.78 -0.02 -1.34 0.01 -1.26 -4.67 114.94 112.58 3ib3 s ASN 538 Ca 0.31 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 3ib3 s ASN 538 Cb 0.21 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.33 3ib3 s ASN 538 CO 0.31 -0.77 0.01 -0.54 -1.51 0.00 0.00 177.10 174.60 3ib3 s LYS 539 N 2.49 0.18 0.00 -0.60 1.02 -1.26 -4.84 119.74 116.72 3ib3 s LYS 539 Ca 0.66 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.75 3ib3 s LYS 539 Cb -0.34 -0.38 0.00 0.00 -0.52 0.00 0.00 37.83 36.59 3ib3 s LYS 539 CO 0.28 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 3ib3 n GLY 540 N 4.05 2.36 0.00 -3.33 0.00 -1.26 -4.32 105.19 102.69 3ib3 n GLY 540 Ca -0.26 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.43 -3.20 1.61 8.25 0.47 -1.32 115.22 120.60 3ib3 n HIS 542 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3ib3 n HIS 542 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -2.60 -0.15 -0.09 1.59 -1.09 0.12 -2.08 121.20 116.91 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 0.23 -0.31 -1.23 0.00 0.00 174.94 173.63 3ib3 s TYR 545 N 2.44 3.63 0.25 3.97 2.02 0.75 -0.36 117.35 130.06 3ib3 s TYR 545 Ca -0.03 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 3ib3 s TYR 545 Cb -0.04 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.40 3ib3 s TYR 545 CO -0.13 0.68 0.09 0.95 -1.57 0.00 0.00 175.55 175.57 3ib3 s THR 546 N -0.96 0.56 0.03 -0.71 -4.23 0.25 -3.98 115.64 106.60 3ib3 s THR 546 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3ib3 s THR 546 Cb -0.13 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3ib3 s THR 546 CO 0.07 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3ib3 n GLY 547 N -0.46 -2.73 7.00 3.99 0.00 -0.75 -0.09 105.19 112.15 3ib3 n GLY 547 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.89 2.77 0.38 -0.02 0.00 0.30 -1.21 105.19 105.53 3ib3 n GLY 548 Ca -0.00 0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.35 3ib3 n GLY 548 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ib3 h LYS 549 N 0.00 0.55 -4.64 1.61 3.64 -1.90 -3.30 116.57 112.54 3ib3 h LYS 549 Ca 0.00 -0.03 -0.74 0.00 -1.27 0.00 0.00 60.65 58.61 3ib3 h LYS 549 Cb 0.00 -0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 31.52 3ib3 h LYS 549 CO 0.00 0.37 1.38 0.66 -2.27 0.00 0.00 179.45 179.58 3ib3 n TYR 550 N -4.61 4.86 -1.11 1.91 4.01 -0.35 -4.90 117.16 116.97 3ib3 n TYR 550 Ca 0.21 -3.34 -0.23 0.00 -0.16 0.00 0.00 57.90 54.38 3ib3 n TYR 550 Cb 0.64 -2.16 -0.11 0.00 -0.31 0.00 0.00 39.34 37.40 3ib3 n TYR 550 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3ib3 n ASP 551 N 5.43 6.59 -4.73 7.72 5.75 -1.24 -1.81 116.55 134.25 3ib3 n ASP 551 Ca 0.37 -2.50 -0.42 0.00 -0.01 0.00 0.00 54.79 52.22 3ib3 n ASP 551 Cb 0.42 -1.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.05 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 2.97 3.34 -3.54 -1.12 7.64 -1.26 -4.91 113.62 116.74 3ib3 n SER 552 Ca 0.57 1.20 -0.13 0.00 1.01 0.00 0.00 58.87 61.52 3ib3 n SER 552 Cb 0.62 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 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 -1.59 0.80 -0.22 1.43 -2.07 -0.12 -1.52 119.66 116.36 3ib3 s GLN 553 Ca 0.57 0.10 -0.04 0.00 -1.82 0.00 0.00 55.36 54.17 3ib3 s GLN 553 Cb -0.53 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 31.76 3ib3 s GLN 553 CO 0.59 -0.27 -0.02 -1.17 -1.32 0.00 0.00 175.29 173.10 3ib3 s LEU 554 N -1.37 2.99 -0.23 2.60 2.96 -0.25 0.07 118.68 125.45 3ib3 s LEU 554 Ca -0.04 -0.36 -0.23 0.00 -0.22 0.00 0.00 54.13 53.29 3ib3 s LEU 554 Cb -0.00 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3ib3 s LEU 554 CO 0.02 -0.02 0.75 -0.63 -1.32 0.00 0.00 176.35 175.16 3ib3 s ILE 555 N 1.47 4.91 0.00 6.68 -1.09 0.73 -1.32 121.20 132.58 3ib3 s ILE 555 Ca 0.06 1.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.95 3ib3 s ILE 555 Cb -0.14 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 3ib3 s ILE 555 CO -0.02 -0.00 -0.21 0.27 -1.23 0.00 0.00 174.94 173.75 3ib3 s ILE 556 N 2.49 2.55 -0.95 2.92 -4.36 -0.71 -2.24 121.20 120.90 3ib3 s ILE 556 Ca 0.32 -1.08 -0.16 0.00 -0.26 0.00 0.00 60.65 59.48 3ib3 s ILE 556 Cb -0.16 -1.99 0.18 0.00 1.25 0.00 0.00 42.46 41.74 3ib3 s ILE 556 CO 0.09 0.48 1.05 -2.16 0.24 0.00 0.00 174.94 174.64 3ib3 s PRO 557 N -0.98 3.71 -0.15 0.37 0.04 -1.26 -1.05 135.00 135.67 3ib3 s PRO 557 Ca 0.12 -2.20 -0.28 0.00 0.04 0.00 0.00 61.00 58.68 3ib3 s PRO 557 Cb -0.10 -4.75 -0.01 0.00 0.04 0.00 0.00 34.50 29.68 3ib3 s PRO 557 CO 0.02 -1.58 0.94 0.42 0.04 0.00 0.00 177.00 176.84 3ib3 s ILE 558 N 1.44 4.81 0.00 0.56 1.01 -0.97 -1.06 121.20 126.98 3ib3 s ILE 558 Ca 0.29 1.88 0.00 0.00 0.00 0.00 0.00 60.65 62.82 3ib3 s ILE 558 Cb -0.07 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3ib3 s ILE 558 CO -0.08 -0.01 0.32 1.33 0.00 0.00 0.00 174.94 176.49