#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ir3 s HIS 35 N 0.00 2.98 -0.24 1.12 0.09 -1.26 -2.16 115.29 115.83 3ir3 s HIS 35 Ca 0.00 -0.53 -0.21 0.00 -0.00 0.00 0.00 55.06 54.32 3ir3 s HIS 35 Cb 0.00 -2.01 0.06 0.00 -0.00 0.00 0.00 32.58 30.64 3ir3 s HIS 35 CO 0.00 -0.23 0.63 -1.50 -0.00 0.00 0.00 174.74 173.64 3ir3 s ILE 36 N 0.78 -0.00 0.14 0.60 2.07 -1.26 -5.10 121.20 118.42 3ir3 s ILE 36 Ca -0.02 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.16 3ir3 s ILE 36 Cb -0.15 -0.88 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 3ir3 s ILE 36 CO 0.02 0.00 0.21 -1.59 -1.91 0.00 0.00 174.94 171.67 3ir3 s LYS 37 N 0.50 1.02 0.14 3.50 0.00 -1.26 -5.13 119.74 118.52 3ir3 s LYS 37 Ca -0.01 -1.18 -0.31 0.00 0.00 0.00 0.00 55.97 54.46 3ir3 s LYS 37 Cb -0.05 0.34 -0.11 0.00 0.00 0.00 0.00 37.83 38.01 3ir3 s LYS 37 CO -0.02 -0.35 1.82 0.28 0.00 0.00 0.00 175.35 177.09 3ir3 n VAL 38 N -0.15 0.30 0.00 1.79 0.31 -1.26 -2.63 118.33 116.70 3ir3 n VAL 38 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3ir3 n VAL 38 Cb 0.63 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3ir3 n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ir3 n GLY 39 N 4.20 0.19 3.76 2.92 0.00 -0.80 -5.03 105.19 110.45 3ir3 n GLY 39 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3ir3 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ir3 s ASP 40 N -2.08 5.85 0.22 1.61 1.01 -1.08 -4.78 116.67 117.42 3ir3 s ASP 40 Ca 0.00 2.61 -0.07 0.00 0.71 0.00 0.00 52.55 55.80 3ir3 s ASP 40 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3ir3 s ASP 40 CO 0.00 -1.16 0.30 0.00 0.21 0.00 0.00 175.17 174.52 3ir3 s ARG 41 N -2.64 1.35 0.21 8.23 1.70 -1.26 -2.11 118.95 124.43 3ir3 s ARG 41 Ca 0.65 -1.42 -0.19 0.00 -0.47 0.00 0.00 55.73 54.30 3ir3 s ARG 41 Cb -0.36 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.42 3ir3 s ARG 41 CO 0.45 -0.51 0.59 0.00 -1.08 0.00 0.00 175.30 174.75 3ir3 s ALA 42 N -4.08 -1.12 0.18 7.88 0.00 -1.08 -5.02 121.76 118.53 3ir3 s ALA 42 Ca 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 3ir3 s ALA 42 Cb 0.03 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 3ir3 s ALA 42 CO 0.09 -0.86 0.28 -1.21 0.00 0.00 0.00 175.76 174.06 3ir3 s GLU 43 N -3.87 1.21 0.23 0.00 2.02 -1.26 -2.18 118.70 114.85 3ir3 s GLU 43 Ca 0.09 -1.26 -0.14 0.00 0.02 0.00 0.00 54.97 53.68 3ir3 s GLU 43 Cb -0.02 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.58 3ir3 s GLU 43 CO -0.02 -0.44 0.48 -0.48 0.02 0.00 0.00 175.26 174.82 3ir3 s LEU 44 N -3.01 0.31 0.02 1.80 0.05 -0.84 -5.02 118.68 111.99 3ir3 s LEU 44 Ca 0.21 -0.84 0.03 0.00 0.05 0.00 0.00 54.13 53.58 3ir3 s LEU 44 Cb 0.03 1.82 -0.01 0.00 -2.05 0.00 0.00 46.19 45.98 3ir3 s LEU 44 CO 0.03 -1.12 -0.09 -0.13 -0.55 0.00 0.00 176.35 174.49 3ir3 s ARG 45 N -3.99 0.68 -0.18 1.48 0.52 -1.26 -1.80 118.95 114.40 3ir3 s ARG 45 Ca 0.19 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.63 3ir3 s ARG 45 Cb -0.01 -0.62 0.08 0.00 0.52 0.00 0.00 34.95 34.92 3ir3 s ARG 45 CO 0.06 0.16 0.77 0.50 0.02 0.00 0.00 175.30 176.81 3ir3 s ARG 46 N -0.72 0.85 0.03 3.54 6.06 -1.09 -5.01 118.95 122.62 3ir3 s ARG 46 Ca -0.00 0.61 0.09 0.00 -2.50 0.00 0.00 55.73 53.92 3ir3 s ARG 46 Cb -0.06 0.41 -0.03 0.00 0.06 0.00 0.00 34.95 35.34 3ir3 s ARG 46 CO 0.00 -0.18 -0.25 0.00 -2.50 0.00 0.00 175.30 172.37 3ir3 s ALA 47 N -0.33 2.11 -0.07 6.12 0.00 -1.26 -1.09 121.76 127.23 3ir3 s ALA 47 Ca -0.04 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 3ir3 s ALA 47 Cb -0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 3ir3 s ALA 47 CO 0.03 0.50 0.24 -0.06 0.00 0.00 0.00 175.76 176.47 3ir3 s PHE 48 N -0.75 3.65 0.39 0.00 0.08 -1.26 -4.96 117.98 115.12 3ir3 s PHE 48 Ca 0.10 0.70 0.08 0.00 0.12 0.00 0.00 56.93 57.93 3ir3 s PHE 48 Cb -0.10 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3ir3 s PHE 48 CO 0.01 0.70 0.42 0.95 -0.10 0.00 0.00 175.22 177.20 3ir3 s THR 49 N -1.05 3.11 0.26 0.64 -4.23 -1.26 -1.76 115.64 111.35 3ir3 s THR 49 Ca 0.18 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3ir3 s THR 49 Cb -0.14 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.85 3ir3 s THR 49 CO 0.08 -0.06 1.81 1.56 -0.54 0.00 0.00 174.62 177.46 3ir3 h GLN 50 N 0.97 0.78 -0.69 3.99 4.20 -2.00 -2.56 115.11 119.79 3ir3 h GLN 50 Ca -0.42 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.27 3ir3 h GLN 50 Cb 1.27 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 3ir3 h GLN 50 CO 0.54 0.51 0.43 1.15 -0.67 0.00 0.00 178.83 180.80 3ir3 h THR 51 N 0.80 1.10 -0.43 -0.54 2.02 -2.00 -2.49 112.91 111.37 3ir3 h THR 51 Ca 0.43 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.36 3ir3 h THR 51 Cb 0.45 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3ir3 h THR 51 CO -0.27 0.16 0.20 0.44 0.37 0.00 0.00 175.52 176.42 3ir3 h ASP 52 N 0.85 0.29 -0.34 4.18 3.32 -1.86 -2.29 116.42 120.57 3ir3 h ASP 52 Ca 0.27 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.23 3ir3 h ASP 52 Cb 0.00 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3ir3 h ASP 52 CO -0.10 0.21 -0.25 0.58 -1.72 0.00 0.00 179.24 177.96 3ir3 h VAL 53 N 0.41 1.27 -0.60 -1.35 2.07 -1.41 -2.52 116.25 114.12 3ir3 h VAL 53 Ca 0.19 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 3ir3 h VAL 53 Cb 0.11 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ir3 h VAL 53 CO -0.14 0.47 0.34 0.00 0.02 0.00 0.00 177.57 178.25 3ir3 h ALA 54 N 1.00 0.77 -0.63 1.67 0.00 -1.35 -2.85 119.26 117.87 3ir3 h ALA 54 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ir3 h ALA 54 Cb 0.78 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3ir3 h ALA 54 CO 0.06 0.28 0.14 1.15 0.00 0.00 0.00 179.25 180.88 3ir3 h THR 55 N 0.82 1.26 -0.67 0.00 2.02 -1.36 -2.81 112.91 112.17 3ir3 h THR 55 Ca 0.21 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3ir3 h THR 55 Cb 0.03 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3ir3 h THR 55 CO -0.04 0.36 0.38 0.15 0.37 0.00 0.00 175.52 176.74 3ir3 h PHE 56 N 0.94 0.91 -0.38 3.16 3.57 -1.40 -2.20 116.94 121.54 3ir3 h PHE 56 Ca 0.20 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3ir3 h PHE 56 Cb 0.38 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3ir3 h PHE 56 CO 0.03 0.64 -0.27 0.66 -2.23 0.00 0.00 178.31 177.14 3ir3 h SER 57 N 0.92 0.82 -0.15 0.41 4.64 -1.45 -2.76 113.55 115.98 3ir3 h SER 57 Ca 0.24 -0.32 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 3ir3 h SER 57 Cb 0.02 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3ir3 h SER 57 CO -0.04 1.04 -0.47 -0.08 -0.87 0.00 0.00 176.83 176.41 3ir3 h GLU 58 N 0.68 0.71 -0.85 4.77 4.81 -1.45 -1.14 114.58 122.11 3ir3 h GLU 58 Ca 0.08 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3ir3 h GLU 58 Cb 0.80 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 3ir3 h GLU 58 CO 0.07 1.02 0.52 1.25 -0.73 0.00 0.00 179.01 181.14 3ir3 h LEU 59 N 0.56 1.02 0.00 1.64 5.85 -1.34 -3.32 115.31 119.72 3ir3 h LEU 59 Ca 0.03 -0.06 -0.28 0.00 0.84 0.00 0.00 57.88 58.41 3ir3 h LEU 59 Cb 1.02 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 3ir3 h LEU 59 CO 0.10 0.78 -1.78 0.35 -0.34 0.00 0.00 178.44 177.54 3ir3 n THR 60 N -4.44 1.46 0.00 1.05 -2.24 -1.05 -5.02 114.28 104.04 3ir3 n THR 60 Ca 0.09 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3ir3 n THR 60 Cb 0.05 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 3ir3 n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ir3 n GLY 61 N 1.55 1.47 3.92 3.38 0.00 -0.49 -5.11 105.19 109.91 3ir3 n GLY 61 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3ir3 n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ir3 s ASP 62 N -2.00 5.71 0.32 1.61 -1.08 -0.81 -5.05 116.67 115.37 3ir3 s ASP 62 Ca 0.00 -0.28 -0.29 0.00 -0.52 0.00 0.00 52.55 51.46 3ir3 s ASP 62 Cb 0.00 -1.22 -0.10 0.00 -1.46 0.00 0.00 42.92 40.14 3ir3 s ASP 62 CO 0.00 -0.32 1.30 -0.69 0.52 0.00 0.00 175.17 175.98 3ir3 s VAL 63 N -2.20 2.79 -0.06 1.11 1.01 -1.26 -4.64 120.40 117.15 3ir3 s VAL 63 Ca 0.41 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 3ir3 s VAL 63 Cb -0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3ir3 s VAL 63 CO 0.29 0.18 1.32 0.21 0.00 0.00 0.00 175.10 177.09 3ir3 s ASN 64 N -0.42 6.93 0.31 3.32 3.84 -1.26 -4.94 114.94 122.72 3ir3 s ASN 64 Ca 0.50 1.92 0.04 0.00 0.21 0.00 0.00 52.86 55.53 3ir3 s ASN 64 Cb -0.39 -2.55 0.65 0.00 -0.55 0.00 0.00 41.25 38.40 3ir3 s ASN 64 CO 0.51 -0.69 1.86 -0.65 -2.79 0.00 0.00 177.10 175.33 3ir3 h PRO 65 N 7.90 0.86 0.00 0.43 0.11 -1.93 -1.89 132.00 137.49 3ir3 h PRO 65 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ir3 h PRO 65 Cb 1.16 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ir3 h PRO 65 CO 0.91 0.57 0.31 1.25 -0.21 0.00 0.00 178.00 180.83 3ir3 h LEU 66 N 0.89 0.00 -4.26 2.35 7.12 -1.96 -3.49 115.31 115.96 3ir3 h LEU 66 Ca 0.47 0.00 -0.58 0.00 0.13 0.00 0.00 57.88 57.90 3ir3 h LEU 66 Cb 0.54 0.00 -0.42 0.00 -0.53 0.00 0.00 40.66 40.25 3ir3 h LEU 66 CO -0.23 0.00 -0.72 1.41 -0.13 0.00 0.00 178.44 178.77 3ir3 n HIS 67 N -2.68 3.19 -0.11 1.25 8.25 -0.71 -5.14 115.22 119.25 3ir3 n HIS 67 Ca -0.02 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.64 3ir3 n HIS 67 Cb 0.35 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3ir3 n HIS 67 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ir3 n ASN 80 N -0.56 -0.64 -4.72 0.41 0.23 -1.26 -5.01 115.26 103.71 3ir3 n ASN 80 Ca 0.41 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 54.05 3ir3 n ASN 80 Cb 0.76 -0.81 -0.04 0.00 -2.08 0.00 0.00 39.78 37.61 3ir3 n ASN 80 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3ir3 s THR 81 N -0.11 4.84 0.01 5.53 2.01 -1.26 -5.01 115.64 121.65 3ir3 s THR 81 Ca 0.00 1.83 -0.15 0.00 0.31 0.00 0.00 61.69 63.68 3ir3 s THR 81 Cb 0.00 -4.21 -0.06 0.00 0.01 0.00 0.00 72.50 68.24 3ir3 s THR 81 CO 0.00 0.24 0.41 -0.63 -0.69 0.00 0.00 174.62 173.95 3ir3 s ILE 82 N 0.63 5.02 -0.23 1.82 1.01 -1.26 -2.19 121.20 126.00 3ir3 s ILE 82 Ca 0.45 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.73 3ir3 s ILE 82 Cb -0.20 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3ir3 s ILE 82 CO 0.25 0.56 0.64 -0.69 0.00 0.00 0.00 174.94 175.70 3ir3 s VAL 83 N -1.10 4.99 0.43 2.92 1.01 -0.36 -4.94 120.40 123.36 3ir3 s VAL 83 Ca 0.24 1.17 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 3ir3 s VAL 83 Cb -0.17 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 3ir3 s VAL 83 CO 0.14 0.06 1.43 -2.28 0.00 0.00 0.00 175.10 174.45 3ir3 s HIS 84 N 2.27 2.50 0.39 5.22 2.46 -1.26 -4.65 115.29 122.21 3ir3 s HIS 84 Ca 0.28 1.25 0.08 0.00 0.47 0.00 0.00 55.06 57.14 3ir3 s HIS 84 Cb -0.16 -3.93 0.84 0.00 -0.13 0.00 0.00 32.58 29.20 3ir3 s HIS 84 CO 0.09 -2.92 1.98 0.78 -2.47 0.00 0.00 174.74 172.20 3ir3 h GLY 85 N 2.47 0.80 2.00 1.59 0.00 -1.97 -2.05 103.07 105.92 3ir3 h GLY 85 Ca -0.51 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 3ir3 h GLY 85 CO 0.62 0.19 -0.33 -2.08 0.00 0.00 0.00 176.54 174.93 3ir3 h VAL 86 N 0.63 0.95 -0.30 4.60 2.07 -1.99 -1.80 116.25 120.40 3ir3 h VAL 86 Ca 0.28 -1.29 -0.16 0.00 0.82 0.00 0.00 66.70 66.36 3ir3 h VAL 86 Cb 0.30 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3ir3 h VAL 86 CO -0.09 0.33 -0.45 0.25 0.02 0.00 0.00 177.57 177.63 3ir3 h LEU 87 N 0.00 0.84 -0.85 2.57 5.85 -1.75 -2.78 115.31 119.20 3ir3 h LEU 87 Ca -0.00 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3ir3 h LEU 87 Cb 0.73 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3ir3 h LEU 87 CO 0.04 1.16 0.50 0.40 -0.34 0.00 0.00 178.44 180.20 3ir3 h ILE 88 N 0.62 1.24 -0.49 4.05 2.04 -1.27 -2.45 117.51 121.26 3ir3 h ILE 88 Ca 0.04 -0.55 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3ir3 h ILE 88 Cb 1.01 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3ir3 h ILE 88 CO 0.10 0.26 0.32 -1.13 0.00 0.00 0.00 178.15 177.70 3ir3 h ASN 89 N 1.17 0.42 -0.97 1.72 -0.00 -1.27 -2.62 115.58 114.03 3ir3 h ASN 89 Ca 0.30 -0.00 0.06 0.00 -0.00 0.00 0.00 56.30 56.66 3ir3 h ASN 89 Cb -0.02 -0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 38.14 3ir3 h ASN 89 CO -0.05 0.28 0.63 1.23 -0.00 0.00 0.00 177.43 179.52 3ir3 h GLY 90 N 0.49 1.43 1.00 1.57 0.00 -1.15 -2.16 103.07 104.25 3ir3 h GLY 90 Ca 0.20 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.11 3ir3 h GLY 90 CO -0.05 0.35 0.60 1.41 0.00 0.00 0.00 176.54 178.85 3ir3 h LEU 91 N 1.15 1.00 -0.91 3.11 3.38 -1.47 -2.88 115.31 118.68 3ir3 h LEU 91 Ca 0.41 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 3ir3 h LEU 91 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ir3 h LEU 91 CO -0.15 0.69 -0.18 0.40 0.09 0.00 0.00 178.44 179.29 3ir3 h ILE 92 N 1.16 1.26 0.00 1.22 1.08 -1.43 -2.21 117.51 118.58 3ir3 h ILE 92 Ca 0.36 -1.19 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3ir3 h ILE 92 Cb -0.01 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 3ir3 h ILE 92 CO -0.10 0.39 -0.27 0.77 -0.69 0.00 0.00 178.15 178.25 3ir3 h SER 93 N 0.54 0.00 0.09 1.72 4.64 -1.25 -2.61 113.55 116.69 3ir3 h SER 93 Ca 0.09 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.16 3ir3 h SER 93 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3ir3 h SER 93 CO 0.04 0.27 -1.00 0.00 -0.87 0.00 0.00 176.83 175.28 3ir3 h ALA 94 N 1.73 0.21 -0.23 5.18 0.00 -1.35 -2.27 119.26 122.53 3ir3 h ALA 94 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 3ir3 h ALA 94 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ir3 h ALA 94 CO 0.04 0.72 0.08 1.25 0.00 0.00 0.00 179.25 181.34 3ir3 h LEU 95 N 0.36 0.33 -0.33 0.00 5.85 -1.30 -2.36 115.31 117.85 3ir3 h LEU 95 Ca -0.11 -0.18 -0.19 0.00 0.84 0.00 0.00 57.88 58.23 3ir3 h LEU 95 Cb 1.64 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3ir3 h LEU 95 CO 0.19 0.42 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.92 3ir3 h LEU 96 N 0.22 0.67 -0.65 2.25 4.07 -1.58 -1.82 115.31 118.46 3ir3 h LEU 96 Ca 0.08 -0.43 -0.14 0.00 0.08 0.00 0.00 57.88 57.47 3ir3 h LEU 96 Cb 0.20 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3ir3 h LEU 96 CO -0.00 1.19 -0.67 1.23 -1.08 0.00 0.00 178.44 179.10 3ir3 h GLY 97 N 1.00 0.02 0.00 0.83 0.00 -1.44 -1.83 103.07 101.65 3ir3 h GLY 97 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ir3 h GLY 97 CO 0.13 0.03 -0.52 -1.30 0.00 0.00 0.00 176.54 174.88 3ir3 n THR 98 N -3.75 0.00 -0.01 4.70 -2.24 -0.89 -2.69 114.28 109.40 3ir3 n THR 98 Ca -0.01 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 3ir3 n THR 98 Cb 0.66 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 3ir3 n THR 98 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ir3 n LYS 99 N -1.27 0.18 -3.37 -0.78 5.02 -0.72 -4.72 118.16 112.50 3ir3 n LYS 99 Ca 0.00 0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 3ir3 n LYS 99 Cb 0.03 -0.81 -0.04 0.00 -0.02 0.00 0.00 35.03 34.20 3ir3 n LYS 99 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3ir3 s MET 100 N -2.27 0.51 0.51 1.97 0.00 -1.02 -4.00 119.30 115.00 3ir3 s MET 100 Ca -0.10 1.06 0.33 0.00 0.00 0.00 0.00 55.69 56.99 3ir3 s MET 100 Cb 0.02 0.47 1.47 0.00 0.00 0.00 0.00 34.83 36.79 3ir3 s MET 100 CO 0.15 -0.47 1.99 -1.35 0.00 0.00 0.00 175.02 175.33 3ir3 h PRO 101 N 8.04 0.00 0.00 4.11 0.11 -1.84 -3.37 132.00 139.05 3ir3 h PRO 101 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ir3 h PRO 101 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ir3 h PRO 101 CO 0.20 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.40 3ir3 n GLY 102 N -0.20 -2.61 3.67 -0.55 0.00 -0.69 -4.97 105.19 99.84 3ir3 n GLY 102 Ca 0.00 -2.03 -0.45 0.00 0.00 0.00 0.00 46.02 43.54 3ir3 n GLY 102 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ir3 n PRO 103 N -0.03 2.16 0.00 1.61 -0.02 -1.09 -3.17 135.00 134.45 3ir3 n PRO 103 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ir3 n PRO 103 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 3ir3 n PRO 103 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ir3 n GLY 104 N 3.10 2.52 3.84 -1.23 0.00 -1.26 -5.02 105.19 107.14 3ir3 n GLY 104 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3ir3 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ir3 s VAL 106 N -2.35 0.41 0.15 0.00 1.01 -0.95 -4.99 120.40 113.68 3ir3 s VAL 106 Ca 0.58 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 3ir3 s VAL 106 Cb -0.10 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 3ir3 s VAL 106 CO 0.24 0.20 1.58 -0.36 0.00 0.00 0.00 175.10 176.76 3ir3 s PHE 107 N 0.99 2.95 -0.13 5.22 0.40 -1.26 -1.51 117.98 124.64 3ir3 s PHE 107 Ca -0.10 0.57 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 3ir3 s PHE 107 Cb -0.14 -3.93 -0.08 0.00 0.51 0.00 0.00 43.02 39.37 3ir3 s PHE 107 CO -0.01 -3.50 -0.11 1.28 0.70 0.00 0.00 175.22 173.58 3ir3 n LEU 108 N 4.27 2.95 -3.68 -0.37 4.77 -0.37 -4.93 117.00 119.63 3ir3 n LEU 108 Ca 0.14 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 3ir3 n LEU 108 Cb 0.39 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3ir3 n LEU 108 CO 0.62 0.71 0.54 -0.94 -1.33 0.00 0.00 177.39 176.98 3ir3 s SER 109 N -5.22 -0.33 0.03 -1.43 1.04 -1.16 -5.03 113.70 101.59 3ir3 s SER 109 Ca -0.17 -0.33 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 3ir3 s SER 109 Cb 0.04 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.82 3ir3 s SER 109 CO 0.29 -1.06 0.55 0.00 0.98 0.00 0.00 173.24 174.00 3ir3 s GLN 110 N -3.63 1.03 -0.19 4.02 -2.07 -1.26 -1.65 119.66 115.90 3ir3 s GLN 110 Ca 0.08 -0.12 -0.02 0.00 -1.82 0.00 0.00 55.36 53.48 3ir3 s GLN 110 Cb -0.03 0.47 0.06 0.00 -1.09 0.00 0.00 33.01 32.42 3ir3 s GLN 110 CO -0.01 -0.36 0.00 -1.21 -1.32 0.00 0.00 175.29 172.39 3ir3 s GLU 111 N -2.13 0.95 0.07 9.60 2.02 -0.95 -5.04 118.70 123.22 3ir3 s GLU 111 Ca -0.07 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3ir3 s GLU 111 Cb -0.01 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 3ir3 s GLU 111 CO 0.01 -0.59 -0.10 0.96 0.02 0.00 0.00 175.26 175.56 3ir3 s ILE 112 N 1.74 0.83 0.21 -1.63 -4.36 -1.26 -2.04 121.20 114.68 3ir3 s ILE 112 Ca -0.01 -1.40 0.07 0.00 -0.26 0.00 0.00 60.65 59.05 3ir3 s ILE 112 Cb -0.17 -1.06 -0.05 0.00 1.25 0.00 0.00 42.46 42.43 3ir3 s ILE 112 CO -0.07 -0.45 -0.11 -0.94 0.24 0.00 0.00 174.94 173.61 3ir3 s SER 113 N -2.04 2.42 -0.58 4.36 1.04 -0.53 -5.00 113.70 113.37 3ir3 s SER 113 Ca -0.01 -1.06 0.04 0.00 0.48 0.00 0.00 55.95 55.40 3ir3 s SER 113 Cb -0.06 -0.11 0.16 0.00 0.10 0.00 0.00 66.02 66.11 3ir3 s SER 113 CO 0.00 -0.25 0.40 -0.36 0.98 0.00 0.00 173.24 174.02 3ir3 s PHE 114 N -3.07 2.70 -0.94 5.02 0.08 -1.26 -2.32 117.98 118.18 3ir3 s PHE 114 Ca 0.23 -2.95 0.24 0.00 0.12 0.00 0.00 56.93 54.58 3ir3 s PHE 114 Cb 0.01 -2.15 1.01 0.00 -0.57 0.00 0.00 43.02 41.32 3ir3 s PHE 114 CO 0.07 -0.66 1.78 -0.35 -0.10 0.00 0.00 175.22 175.95 3ir3 n PRO 115 N 2.49 0.04 -3.49 0.24 -0.04 -1.26 -4.86 135.00 128.12 3ir3 n PRO 115 Ca 0.20 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.62 3ir3 n PRO 115 Cb 0.38 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.25 3ir3 n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ir3 s ALA 116 N -3.03 -1.61 0.39 0.55 0.00 -1.24 -5.04 121.76 111.79 3ir3 s ALA 116 Ca 0.11 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.65 3ir3 s ALA 116 Cb 0.15 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 3ir3 s ALA 116 CO 0.46 -0.57 1.03 -1.25 0.00 0.00 0.00 175.76 175.43 3ir3 s PRO 117 N -2.53 4.23 -0.14 0.00 0.04 -1.26 -4.56 135.00 130.78 3ir3 s PRO 117 Ca -0.05 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 3ir3 s PRO 117 Cb -0.01 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 3ir3 s PRO 117 CO -0.02 -0.07 -0.02 -1.17 0.04 0.00 0.00 177.00 175.76 3ir3 s LEU 118 N -2.59 3.39 0.21 -3.56 2.96 -1.26 -4.98 118.68 112.85 3ir3 s LEU 118 Ca 0.57 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.51 3ir3 s LEU 118 Cb -0.21 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3ir3 s LEU 118 CO 0.26 0.23 0.17 -0.31 -1.32 0.00 0.00 176.35 175.39 3ir3 s TYR 119 N -0.01 3.14 0.42 5.38 2.02 -1.26 -1.22 117.35 125.81 3ir3 s TYR 119 Ca 0.02 -0.07 -0.26 0.00 -0.37 0.00 0.00 57.07 56.39 3ir3 s TYR 119 Cb -0.13 -1.46 -0.09 0.00 -0.40 0.00 0.00 41.96 39.88 3ir3 s TYR 119 CO 0.02 0.52 1.44 0.42 -1.57 0.00 0.00 175.55 176.39 3ir3 s ILE 120 N -1.95 2.09 0.00 2.71 -1.09 -0.93 -3.20 121.20 118.83 3ir3 s ILE 120 Ca 0.32 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 3ir3 s ILE 120 Cb -0.09 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 3ir3 s ILE 120 CO 0.24 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 3ir3 n GLY 121 N 0.54 2.74 3.70 6.18 0.00 -0.72 -4.94 105.19 112.69 3ir3 n GLY 121 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3ir3 n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ir3 s GLU 122 N -0.41 4.50 -0.16 1.61 2.02 -1.19 -4.90 118.70 120.17 3ir3 s GLU 122 Ca 0.00 1.43 -0.24 0.00 0.02 0.00 0.00 54.97 56.18 3ir3 s GLU 122 Cb 0.00 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3ir3 s GLU 122 CO 0.00 -0.17 0.77 0.08 0.02 0.00 0.00 175.26 175.96 3ir3 s VAL 123 N 1.43 4.94 0.18 2.63 1.01 -1.26 -4.43 120.40 124.90 3ir3 s VAL 123 Ca 0.51 1.50 0.06 0.00 0.00 0.00 0.00 61.98 64.05 3ir3 s VAL 123 Cb -0.20 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3ir3 s VAL 123 CO 0.24 0.08 0.09 0.68 0.00 0.00 0.00 175.10 176.19 3ir3 s VAL 124 N 1.90 4.22 -0.21 2.92 -7.23 -0.25 -2.35 120.40 119.40 3ir3 s VAL 124 Ca 0.36 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 3ir3 s VAL 124 Cb -0.17 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 3ir3 s VAL 124 CO 0.13 -0.14 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.55 3ir3 s LEU 125 N -3.13 3.13 -0.10 1.32 2.96 -0.34 -2.66 118.68 119.86 3ir3 s LEU 125 Ca 0.30 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3ir3 s LEU 125 Cb -0.10 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3ir3 s LEU 125 CO 0.22 0.03 0.01 0.00 -1.32 0.00 0.00 176.35 175.28 3ir3 s ALA 126 N 1.21 3.30 0.07 5.97 0.00 -0.74 -2.30 121.76 129.26 3ir3 s ALA 126 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3ir3 s ALA 126 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3ir3 s ALA 126 CO 0.00 0.54 -0.06 -1.54 0.00 0.00 0.00 175.76 174.71 3ir3 s SER 127 N -0.74 0.83 -0.04 0.00 1.04 -0.57 -1.99 113.70 112.21 3ir3 s SER 127 Ca 0.12 -0.87 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 3ir3 s SER 127 Cb -0.12 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3ir3 s SER 127 CO 0.02 -0.44 0.16 0.00 0.98 0.00 0.00 173.24 173.96 3ir3 s ALA 128 N -3.06 -0.38 -0.11 5.32 0.00 -0.93 -2.66 121.76 119.94 3ir3 s ALA 128 Ca 0.04 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.19 3ir3 s ALA 128 Cb 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.02 3ir3 s ALA 128 CO -0.05 -0.12 0.28 -2.00 0.00 0.00 0.00 175.76 173.88 3ir3 s GLU 129 N -0.38 0.29 -0.14 0.00 2.12 -0.91 -2.63 118.70 117.06 3ir3 s GLU 129 Ca -0.05 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 3ir3 s GLU 129 Cb -0.03 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.37 3ir3 s GLU 129 CO 0.01 -0.10 1.42 0.08 -0.54 0.00 0.00 175.26 176.13 3ir3 s VAL 130 N 0.67 4.00 -0.23 3.70 1.01 -0.90 -1.73 120.40 126.93 3ir3 s VAL 130 Ca -0.04 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.20 3ir3 s VAL 130 Cb -0.06 -3.81 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 3ir3 s VAL 130 CO -0.04 -0.14 -0.13 0.29 0.00 0.00 0.00 175.10 175.08 3ir3 n LYS 131 N 6.90 0.69 -3.92 2.72 4.76 -0.75 -1.89 118.16 126.67 3ir3 n LYS 131 Ca 0.15 0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.59 3ir3 n LYS 131 Cb 0.44 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 3ir3 n LYS 131 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3ir3 s LYS 132 N -2.49 0.38 -0.13 1.97 1.02 -1.20 -4.93 119.74 114.37 3ir3 s LYS 132 Ca -0.26 -0.48 -0.08 0.00 0.02 0.00 0.00 55.97 55.17 3ir3 s LYS 132 Cb 0.08 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.58 3ir3 s LYS 132 CO 0.64 -0.08 0.32 -1.17 -0.92 0.00 0.00 175.35 174.15 3ir3 s LEU 133 N -1.35 0.36 0.34 3.17 2.96 -1.26 -2.07 118.68 120.83 3ir3 s LEU 133 Ca -0.15 0.68 0.04 0.00 -0.22 0.00 0.00 54.13 54.48 3ir3 s LEU 133 Cb -0.08 1.04 -0.02 0.00 0.50 0.00 0.00 46.19 47.63 3ir3 s LEU 133 CO 0.00 -0.16 0.36 -1.59 -1.32 0.00 0.00 176.35 173.65 3ir3 s LYS 134 N 0.97 1.85 0.03 1.98 -2.85 -0.80 -5.05 119.74 115.87 3ir3 s LYS 134 Ca -0.07 -1.95 -0.31 0.00 -1.00 0.00 0.00 55.97 52.65 3ir3 s LYS 134 Cb -0.07 0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.97 3ir3 s LYS 134 CO -0.07 -0.72 1.94 -2.13 0.10 0.00 0.00 175.35 174.47 3ir3 n ARG 135 N -0.62 2.75 -0.88 1.78 0.63 -1.26 -2.47 116.66 116.60 3ir3 n ARG 135 Ca 0.05 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 3ir3 n ARG 135 Cb 0.62 -2.94 0.00 0.00 0.45 0.00 0.00 32.46 30.59 3ir3 n ARG 135 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3ir3 n PHE 136 N 7.14 0.00 -3.77 -0.14 3.72 -1.26 -5.00 117.46 118.14 3ir3 n PHE 136 Ca 0.20 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.46 3ir3 n PHE 136 Cb 0.38 -0.80 -0.15 0.00 -0.94 0.00 0.00 39.48 37.98 3ir3 n PHE 136 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ir3 s ILE 137 N -2.12 -0.04 0.04 4.37 -1.09 -1.03 -2.10 121.20 119.22 3ir3 s ILE 137 Ca 0.00 0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.62 3ir3 s ILE 137 Cb 0.00 -0.18 -0.02 0.00 -1.58 0.00 0.00 42.46 40.68 3ir3 s ILE 137 CO 0.00 0.07 -0.11 0.00 -1.23 0.00 0.00 174.94 173.66 3ir3 s ALA 138 N 0.97 0.92 -0.21 9.38 0.00 -0.71 -1.91 121.76 130.20 3ir3 s ALA 138 Ca -0.08 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3ir3 s ALA 138 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3ir3 s ALA 138 CO -0.04 0.14 0.01 0.42 0.00 0.00 0.00 175.76 176.29 3ir3 s ILE 139 N -0.91 4.00 -0.17 0.00 -1.09 -0.88 -1.60 121.20 120.55 3ir3 s ILE 139 Ca -0.02 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 3ir3 s ILE 139 Cb -0.08 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 3ir3 s ILE 139 CO 0.01 0.41 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.34 3ir3 s ILE 140 N 1.14 2.54 -0.01 2.92 -1.09 -0.35 -1.81 121.20 124.54 3ir3 s ILE 140 Ca 0.03 -0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 57.40 3ir3 s ILE 140 Cb -0.14 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.61 3ir3 s ILE 140 CO 0.02 0.51 0.75 0.00 -1.23 0.00 0.00 174.94 174.99 3ir3 s ALA 141 N 1.04 3.34 0.11 9.38 0.00 -0.70 -1.05 121.76 133.87 3ir3 s ALA 141 Ca -0.01 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3ir3 s ALA 141 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3ir3 s ALA 141 CO -0.04 -0.03 -0.18 0.14 0.00 0.00 0.00 175.76 175.66 3ir3 s VAL 142 N 0.39 1.51 -0.04 0.00 -7.23 -0.85 -2.14 120.40 112.05 3ir3 s VAL 142 Ca 0.39 -1.58 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 3ir3 s VAL 142 Cb -0.19 -1.48 0.06 0.00 0.56 0.00 0.00 36.38 35.32 3ir3 s VAL 142 CO 0.21 -0.21 0.56 -0.55 -0.31 0.00 0.00 175.10 174.81 3ir3 s SER 143 N -2.09 -0.51 -0.04 4.85 0.15 -1.09 -2.28 113.70 112.69 3ir3 s SER 143 Ca 0.06 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 3ir3 s SER 143 Cb -0.08 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 3ir3 s SER 143 CO 0.04 -0.56 0.04 0.00 1.20 0.00 0.00 173.24 173.96 3ir3 s SER 145 N 1.73 0.58 0.00 0.00 0.01 -0.97 -1.57 113.70 113.48 3ir3 s SER 145 Ca -0.00 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 3ir3 s SER 145 Cb -0.12 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 3ir3 s SER 145 CO -0.03 -0.37 1.11 -0.69 0.41 0.00 0.00 173.24 173.68 3ir3 s VAL 146 N -2.30 4.41 0.08 3.43 1.01 -0.50 -1.20 120.40 125.33 3ir3 s VAL 146 Ca -0.05 1.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 3ir3 s VAL 146 Cb -0.04 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 3ir3 s VAL 146 CO -0.03 0.09 1.56 0.40 0.00 0.00 0.00 175.10 177.12 3ir3 h ILE 147 N 4.76 1.21 -0.34 2.22 2.04 -1.82 -0.06 117.51 125.54 3ir3 h ILE 147 Ca -0.39 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 64.67 3ir3 h ILE 147 Cb 1.20 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3ir3 h ILE 147 CO 0.81 0.22 -0.23 -0.08 0.00 0.00 0.00 178.15 178.87 3ir3 h GLU 148 N 0.14 0.67 0.00 2.37 4.57 -1.94 -3.33 114.58 117.06 3ir3 h GLU 148 Ca 0.06 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3ir3 h GLU 148 Cb 0.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3ir3 h GLU 148 CO 0.00 0.84 -0.57 -1.13 -1.18 0.00 0.00 179.01 176.97 3ir3 n SER 149 N -4.11 0.73 -0.41 1.04 3.41 -1.23 -5.02 113.62 108.02 3ir3 n SER 149 Ca -0.00 -0.63 -0.05 0.00 -0.26 0.00 0.00 58.87 57.92 3ir3 n SER 149 Cb 0.42 1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 65.40 3ir3 n SER 149 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ir3 n LYS 150 N -1.30 -0.99 -1.97 4.33 5.02 -0.04 -4.99 118.16 118.23 3ir3 n LYS 150 Ca 0.01 0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3ir3 n LYS 150 Cb 0.16 -4.49 -0.03 0.00 -0.02 0.00 0.00 35.03 30.66 3ir3 n LYS 150 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ir3 s LYS 151 N -1.98 3.97 -0.14 1.97 2.20 -1.25 -4.75 119.74 119.76 3ir3 s LYS 151 Ca 0.00 2.05 -0.29 0.00 -0.36 0.00 0.00 55.97 57.37 3ir3 s LYS 151 Cb 0.00 -4.05 -0.01 0.00 -1.51 0.00 0.00 37.83 32.26 3ir3 s LYS 151 CO 0.00 -1.10 1.01 0.99 -0.36 0.00 0.00 175.35 175.89 3ir3 s THR 152 N 4.79 4.76 -0.33 3.43 2.01 -1.26 -1.41 115.64 127.63 3ir3 s THR 152 Ca 0.77 2.02 0.11 0.00 0.31 0.00 0.00 61.69 64.90 3ir3 s THR 152 Cb -0.32 -4.31 -0.15 0.00 0.01 0.00 0.00 72.50 67.74 3ir3 s THR 152 CO 0.31 -0.05 0.39 1.33 -0.69 0.00 0.00 174.62 175.91 3ir3 n VAL 153 N 4.77 0.00 -3.60 3.82 0.24 -0.61 -3.65 118.33 119.30 3ir3 n VAL 153 Ca 0.09 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 3ir3 n VAL 153 Cb 0.48 0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 3ir3 n VAL 153 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ir3 s MET 154 N -2.36 0.84 -0.03 7.34 0.23 -1.18 -4.26 119.30 119.89 3ir3 s MET 154 Ca 0.01 0.74 -0.27 0.00 -1.03 0.00 0.00 55.69 55.13 3ir3 s MET 154 Cb 0.08 0.41 0.06 0.00 -1.53 0.00 0.00 34.83 33.85 3ir3 s MET 154 CO 0.47 -0.16 0.59 -1.83 -2.03 0.00 0.00 175.02 172.07 3ir3 s GLU 155 N -0.09 0.99 0.00 3.16 -1.05 -0.98 -1.62 118.70 119.11 3ir3 s GLU 155 Ca -0.02 0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 3ir3 s GLU 155 Cb -0.04 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3ir3 s GLU 155 CO 0.02 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3ir3 n GLY 156 N 0.91 -0.49 3.11 -3.83 0.00 -0.97 -1.45 105.19 102.48 3ir3 n GLY 156 Ca -0.19 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 3ir3 n GLY 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ir3 s TRP 157 N -4.00 0.28 -0.04 1.61 1.48 -0.87 -2.00 118.94 115.41 3ir3 s TRP 157 Ca 0.00 -0.68 0.02 0.00 -1.06 0.00 0.00 56.10 54.39 3ir3 s TRP 157 Cb 0.00 -0.20 0.01 0.00 -1.16 0.00 0.00 33.47 32.12 3ir3 s TRP 157 CO 0.00 -0.39 -0.09 0.08 -4.06 0.00 0.00 176.95 172.50 3ir3 s VAL 158 N -3.11 0.80 -0.23 -0.66 1.01 -0.21 -2.23 120.40 115.77 3ir3 s VAL 158 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3ir3 s VAL 158 Cb 0.02 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 3ir3 s VAL 158 CO -0.07 0.26 0.14 -0.75 0.00 0.00 0.00 175.10 174.69 3ir3 s LYS 159 N 0.46 4.07 0.09 2.72 2.20 -0.66 -1.21 119.74 127.41 3ir3 s LYS 159 Ca -0.08 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 3ir3 s LYS 159 Cb -0.12 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3ir3 s LYS 159 CO 0.01 0.11 -0.19 0.14 -0.36 0.00 0.00 175.35 175.07 3ir3 s VAL 160 N 0.89 1.53 0.15 4.02 -7.23 -0.63 -1.24 120.40 117.90 3ir3 s VAL 160 Ca 0.07 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 3ir3 s VAL 160 Cb -0.13 -1.41 -0.07 0.00 0.56 0.00 0.00 36.38 35.33 3ir3 s VAL 160 CO 0.03 -0.11 0.99 -0.32 -0.31 0.00 0.00 175.10 175.38 3ir3 s MET 161 N -1.85 4.71 0.09 4.82 1.75 -0.57 -1.74 119.30 126.51 3ir3 s MET 161 Ca 0.04 1.52 0.08 0.00 -1.25 0.00 0.00 55.69 56.08 3ir3 s MET 161 Cb -0.10 -3.34 -0.03 0.00 2.84 0.00 0.00 34.83 34.20 3ir3 s MET 161 CO 0.04 0.24 -0.20 0.14 -0.65 0.00 0.00 175.02 174.59 3ir3 s VAL 162 N -0.28 1.63 1.13 10.11 -7.23 -0.89 -2.24 120.40 122.62 3ir3 s VAL 162 Ca 0.46 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 3ir3 s VAL 162 Cb -0.25 -1.48 0.26 0.00 0.56 0.00 0.00 36.38 35.47 3ir3 s VAL 162 CO 0.31 -0.05 1.06 -2.84 -0.31 0.00 0.00 175.10 173.27 3ir3 s PRO 163 N -1.79 -0.67 0.31 4.82 0.02 -1.26 -4.37 135.00 132.06 3ir3 s PRO 163 Ca 0.05 0.48 -0.29 0.00 0.02 0.00 0.00 61.00 61.26 3ir3 s PRO 163 Cb -0.10 -1.61 -0.12 0.00 0.02 0.00 0.00 34.50 32.69 3ir3 s PRO 163 CO 0.04 -3.46 1.49 -1.91 -0.33 0.00 0.00 177.00 172.82 3ir3 n GLU 164 N -4.68 2.48 -2.20 5.54 4.07 -1.26 -4.76 120.64 119.83 3ir3 n GLU 164 Ca 0.06 0.88 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 3ir3 n GLU 164 Cb 0.57 -2.59 -0.03 0.00 -0.06 0.00 0.00 31.44 29.33 3ir3 n GLU 164 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ir3 s ALA 165 N -0.43 3.56 0.76 4.31 0.00 -1.26 -3.81 121.76 124.88 3ir3 s ALA 165 Ca 0.61 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.54 3ir3 s ALA 165 Cb -0.53 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.12 3ir3 s ALA 165 CO 0.54 -0.58 1.10 -1.12 0.00 0.00 0.00 175.76 175.70 3ir3 s SER 166 N 1.04 4.55 0.00 0.00 0.01 -0.92 -4.91 113.70 113.48 3ir3 s SER 166 Ca 0.63 1.87 0.09 0.00 1.31 0.00 0.00 55.95 59.85 3ir3 s SER 166 Cb -0.36 -2.53 0.52 0.00 0.21 0.00 0.00 66.02 63.86 3ir3 s SER 166 CO 0.31 -2.01 0.97 1.17 0.41 0.00 0.00 173.24 174.09