#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i04 s GLU 20 N 0.00 1.52 0.21 5.31 2.02 -1.26 -4.11 118.70 122.39 1i04 s GLU 20 Ca 0.00 -1.05 -0.21 0.00 0.02 0.00 0.00 54.97 53.73 1i04 s GLU 20 Cb 0.00 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 32.57 1i04 s GLU 20 CO 0.00 0.43 0.62 0.00 0.02 0.00 0.00 175.26 176.33 1i04 s ALA 21 N -0.85 -1.28 0.17 5.21 0.00 -0.47 -4.98 121.76 119.57 1i04 s ALA 21 Ca 0.10 0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1i04 s ALA 21 Cb -0.09 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1i04 s ALA 21 CO 0.02 -0.87 -0.10 -1.54 0.00 0.00 0.00 175.76 173.27 1i04 s SER 22 N -2.84 4.25 0.37 0.00 1.04 -1.26 -1.61 113.70 113.64 1i04 s SER 22 Ca 0.07 -0.56 0.13 0.00 0.48 0.00 0.00 55.95 56.07 1i04 s SER 22 Cb -0.03 -0.72 0.71 0.00 0.10 0.00 0.00 66.02 66.08 1i04 s SER 22 CO -0.03 0.11 1.82 0.77 0.98 0.00 0.00 173.24 176.89 1i04 h SER 23 N 3.01 0.00 1.69 7.02 4.64 -0.64 -2.40 113.55 126.89 1i04 h SER 23 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i04 h SER 23 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1i04 h SER 23 CO 0.54 0.38 -0.05 0.71 -0.87 0.00 0.00 176.83 177.53 1i04 h THR 24 N 0.00 0.00 -2.42 2.95 1.35 -1.78 -3.20 112.91 109.81 1i04 h THR 24 Ca -0.00 -0.75 -0.22 0.00 -0.55 0.00 0.00 66.41 64.89 1i04 h THR 24 Cb 0.68 1.72 0.11 0.00 -1.73 0.00 0.00 68.15 68.94 1i04 h THR 24 CO 0.05 0.00 0.02 0.61 -0.25 0.00 0.00 175.52 175.95 1i04 n GLY 25 N 1.20 -2.98 0.09 5.82 0.00 -0.90 -4.81 105.19 103.62 1i04 n GLY 25 Ca 0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 1i04 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i04 n ARG 26 N -3.61 0.63 -0.57 1.61 5.12 -1.26 -4.31 116.66 114.27 1i04 n ARG 26 Ca 0.08 0.21 0.07 0.00 -1.93 0.00 0.00 57.85 56.29 1i04 n ARG 26 Cb 0.33 -1.79 0.31 0.00 -1.16 0.00 0.00 32.46 30.15 1i04 n ARG 26 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1i04 n ASN 27 N -2.89 4.23 -4.76 0.55 3.02 -1.26 -4.99 115.26 109.16 1i04 n ASN 27 Ca -0.11 -2.45 -0.41 0.00 -0.03 0.00 0.00 54.58 51.57 1i04 n ASN 27 Cb 0.87 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1i04 n ASN 27 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1i04 s PHE 28 N -1.94 2.97 -0.55 3.10 5.36 -1.26 -4.98 117.98 120.69 1i04 s PHE 28 Ca 0.43 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.64 1i04 s PHE 28 Cb 0.29 -3.79 0.15 0.00 -0.34 0.00 0.00 43.02 39.33 1i04 s PHE 28 CO 0.19 -2.39 0.36 1.21 -1.46 0.00 0.00 175.22 173.12 1i04 s ASN 29 N -0.04 3.81 0.48 6.13 3.84 -1.26 -4.98 114.94 122.92 1i04 s ASN 29 Ca 0.54 -3.24 0.19 0.00 0.21 0.00 0.00 52.86 50.56 1i04 s ASN 29 Cb -0.42 -1.25 1.20 0.00 -0.55 0.00 0.00 41.25 40.23 1i04 s ASN 29 CO 0.50 -0.17 2.00 1.62 -2.79 0.00 0.00 177.10 178.25 1i04 h VAL 30 N 4.85 0.84 -0.35 -5.21 3.04 -1.99 -0.16 116.25 117.26 1i04 h VAL 30 Ca 0.09 -0.07 0.08 0.00 -1.01 0.00 0.00 66.70 65.79 1i04 h VAL 30 Cb 0.85 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1i04 h VAL 30 CO 0.58 0.04 0.25 -0.08 -1.01 0.00 0.00 177.57 177.35 1i04 h GLU 31 N 0.20 0.12 0.00 4.17 4.57 -1.98 -1.38 114.58 120.29 1i04 h GLU 31 Ca 0.24 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1i04 h GLU 31 Cb 0.69 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1i04 h GLU 31 CO -0.04 0.08 0.00 1.63 -1.18 0.00 0.00 179.01 179.50 1i04 n LYS 32 N -4.46 0.00 -0.19 1.92 5.02 -0.07 -2.32 118.16 118.06 1i04 n LYS 32 Ca 0.05 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1i04 n LYS 32 Cb 0.34 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.11 1i04 n LYS 32 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1i04 n ILE 33 N -1.50 0.51 -1.87 -0.18 -5.35 -0.52 -4.77 119.36 105.69 1i04 n ILE 33 Ca 0.04 -0.68 -0.35 0.00 -0.27 0.00 0.00 62.75 61.49 1i04 n ILE 33 Cb 0.19 0.74 0.05 0.00 -1.74 0.00 0.00 39.64 38.87 1i04 n ILE 33 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1i04 s ASN 34 N -1.40 5.01 0.00 7.28 2.47 -0.98 -4.70 114.94 122.61 1i04 s ASN 34 Ca 0.38 2.31 0.00 0.00 0.42 0.00 0.00 52.86 55.97 1i04 s ASN 34 Cb 0.21 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1i04 s ASN 34 CO 0.30 -1.71 0.00 0.61 -3.72 0.00 0.00 177.10 172.58 1i04 n GLY 35 N 0.31 -1.15 3.77 1.21 0.00 0.50 -4.91 105.19 104.92 1i04 n GLY 35 Ca 0.13 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 1i04 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i04 s GLU 36 N 0.00 4.15 0.25 1.61 2.12 -1.26 -1.10 118.70 124.46 1i04 s GLU 36 Ca 0.00 1.98 -0.09 0.00 0.36 0.00 0.00 54.97 57.22 1i04 s GLU 36 Cb 0.00 -2.82 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 1i04 s GLU 36 CO 0.00 -0.28 0.40 -1.58 -0.54 0.00 0.00 175.26 173.26 1i04 s TRP 37 N -1.30 0.60 -0.03 5.30 0.52 -0.57 -4.68 118.94 118.78 1i04 s TRP 37 Ca 0.54 -0.92 -0.05 0.00 0.02 0.00 0.00 56.10 55.69 1i04 s TRP 37 Cb -0.34 0.01 0.01 0.00 -1.15 0.00 0.00 33.47 31.99 1i04 s TRP 37 CO 0.44 -0.93 0.12 -1.01 0.02 0.00 0.00 176.95 175.59 1i04 s HIS 38 N -3.95 -0.07 -0.11 -1.98 3.76 0.02 -3.96 115.29 109.00 1i04 s HIS 38 Ca 0.27 0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 55.04 1i04 s HIS 38 Cb 0.01 0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 1i04 s HIS 38 CO 0.11 -0.14 1.11 0.99 -0.85 0.00 0.00 174.74 175.96 1i04 s THR 39 N -0.43 4.52 -0.20 1.30 2.01 -1.24 -1.12 115.64 120.47 1i04 s THR 39 Ca -0.05 1.82 -0.12 0.00 0.31 0.00 0.00 61.69 63.65 1i04 s THR 39 Cb -0.03 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.22 1i04 s THR 39 CO 0.00 -0.03 -0.29 -0.38 -0.69 0.00 0.00 174.62 173.23 1i04 n ILE 40 N 4.75 1.31 -3.98 1.82 2.08 0.86 -4.58 119.36 121.62 1i04 n ILE 40 Ca 0.10 -0.16 -0.13 0.00 0.56 0.00 0.00 62.75 63.12 1i04 n ILE 40 Cb 0.47 -1.93 -0.14 0.00 -0.75 0.00 0.00 39.64 37.29 1i04 n ILE 40 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1i04 s ILE 41 N -2.51 0.16 0.10 1.39 1.01 -0.79 0.32 121.20 120.87 1i04 s ILE 41 Ca -0.29 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.24 1i04 s ILE 41 Cb 0.09 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.37 1i04 s ILE 41 CO 0.38 -0.03 -0.21 -0.76 0.00 0.00 0.00 174.94 174.32 1i04 s LEU 42 N -0.25 2.28 -0.13 2.97 1.43 -0.62 -0.45 118.68 123.91 1i04 s LEU 42 Ca -0.01 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1i04 s LEU 42 Cb -0.02 -0.92 0.04 0.00 0.03 0.00 0.00 46.19 45.33 1i04 s LEU 42 CO -0.00 0.08 0.43 0.00 0.23 0.00 0.00 176.35 177.09 1i04 s ALA 43 N -1.11 -1.08 -0.08 4.21 0.00 -0.44 0.13 121.76 123.41 1i04 s ALA 43 Ca 0.07 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1i04 s ALA 43 Cb -0.10 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1i04 s ALA 43 CO 0.04 -0.23 0.45 0.45 0.00 0.00 0.00 175.76 176.48 1i04 s SER 44 N -0.13 -0.40 0.00 0.00 0.15 -1.09 -0.09 113.70 112.13 1i04 s SER 44 Ca -0.03 0.52 0.24 0.00 0.70 0.00 0.00 55.95 57.39 1i04 s SER 44 Cb -0.03 0.58 1.42 0.00 -1.71 0.00 0.00 66.02 66.29 1i04 s SER 44 CO 0.02 -0.39 1.82 -0.90 1.20 0.00 0.00 173.24 174.98 1i04 n ASP 45 N 1.69 0.00 -3.57 5.45 5.68 -1.02 -3.43 116.55 121.35 1i04 n ASP 45 Ca -0.18 -0.66 -0.27 0.00 -0.50 0.00 0.00 54.79 53.17 1i04 n ASP 45 Cb 0.56 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 1i04 n ASP 45 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1i04 n LYS 46 N -1.04 1.17 -0.32 0.11 4.81 -1.26 -4.99 118.16 116.63 1i04 n LYS 46 Ca 0.17 -3.87 0.24 0.00 -0.87 0.00 0.00 58.31 53.98 1i04 n LYS 46 Cb 0.10 -1.93 0.45 0.00 0.02 0.00 0.00 35.03 33.67 1i04 n LYS 46 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1i04 h ARG 47 N 5.18 0.10 -0.95 1.64 2.43 -1.90 -0.64 114.38 120.25 1i04 h ARG 47 Ca 0.19 -0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.58 1i04 h ARG 47 Cb 0.81 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.27 1i04 h ARG 47 CO 0.57 0.07 0.62 1.05 -1.51 0.00 0.00 179.97 180.77 1i04 h GLU 48 N 0.11 0.39 -0.08 0.20 4.11 -1.95 -0.01 114.58 117.35 1i04 h GLU 48 Ca 0.73 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 60.16 1i04 h GLU 48 Cb 1.73 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 1i04 h GLU 48 CO -0.75 0.26 0.08 0.87 0.07 0.00 0.00 179.01 179.54 1i04 h LYS 49 N 0.40 0.00 -0.19 1.06 1.79 -1.50 -2.52 116.57 115.61 1i04 h LYS 49 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1i04 h LYS 49 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1i04 h LYS 49 CO -0.20 0.00 0.00 0.44 -1.08 0.00 0.00 179.45 178.61 1i04 n ILE 50 N -4.01 1.02 -2.49 1.86 -5.35 -0.05 -1.01 119.36 109.33 1i04 n ILE 50 Ca -0.01 -1.01 -0.23 0.00 -0.27 0.00 0.00 62.75 61.22 1i04 n ILE 50 Cb 0.18 0.49 0.08 0.00 -1.74 0.00 0.00 39.64 38.65 1i04 n ILE 50 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1i04 s GLU 51 N -1.03 2.01 -0.13 6.28 2.02 -0.95 -4.62 118.70 122.28 1i04 s GLU 51 Ca 0.13 -0.80 -0.41 0.00 0.02 0.00 0.00 54.97 53.91 1i04 s GLU 51 Cb 0.07 -2.32 -0.20 0.00 0.10 0.00 0.00 34.13 31.78 1i04 s GLU 51 CO 0.09 -1.22 1.26 -0.25 0.02 0.00 0.00 175.26 175.15 1i04 n ASP 52 N -2.74 0.55 0.00 -0.19 8.00 -1.26 0.78 116.55 121.69 1i04 n ASP 52 Ca 0.11 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1i04 n ASP 52 Cb 0.60 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1i04 n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i04 n ASN 53 N 2.38 -1.11 -4.77 -2.24 4.13 -1.26 -4.98 115.26 107.41 1i04 n ASN 53 Ca 0.23 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 56.10 1i04 n ASN 53 Cb 0.06 -1.25 -0.02 0.00 -1.54 0.00 0.00 39.78 37.02 1i04 n ASN 53 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1i04 s GLY 54 N -2.00 2.91 0.61 7.41 0.00 0.23 -4.90 107.32 111.58 1i04 s GLY 54 Ca 0.00 1.02 0.41 0.00 0.00 0.00 0.00 44.72 46.15 1i04 s GLY 54 CO 0.00 1.57 2.24 3.43 0.00 0.00 0.00 173.10 180.35 1i04 h ASN 55 N 2.86 0.00 -0.47 1.64 2.35 -1.84 -2.57 115.58 117.55 1i04 h ASN 55 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1i04 h ASN 55 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1i04 h ASN 55 CO 0.63 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.90 1i04 n PHE 56 N -2.96 0.63 -2.49 1.19 3.01 -0.18 -4.70 117.46 111.95 1i04 n PHE 56 Ca -0.02 -0.48 -0.43 0.00 1.01 0.00 0.00 57.45 57.53 1i04 n PHE 56 Cb 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1i04 n PHE 56 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1i04 n ARG 57 N 0.95 3.27 -4.38 -1.08 0.63 -0.97 -4.78 116.66 110.30 1i04 n ARG 57 Ca 0.16 -3.38 -0.34 0.00 -0.92 0.00 0.00 57.85 53.37 1i04 n ARG 57 Cb 0.50 -3.21 -0.12 0.00 0.45 0.00 0.00 32.46 30.08 1i04 n ARG 57 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1i04 s LEU 58 N 2.19 3.30 -0.51 6.15 1.43 -1.26 -4.59 118.68 125.38 1i04 s LEU 58 Ca 0.46 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1i04 s LEU 58 Cb 0.05 -1.79 0.08 0.00 0.03 0.00 0.00 46.19 44.56 1i04 s LEU 58 CO 0.01 0.18 0.53 -0.36 0.23 0.00 0.00 176.35 176.94 1i04 s PHE 59 N 0.29 3.15 0.32 0.29 0.40 -0.85 -4.82 117.98 116.77 1i04 s PHE 59 Ca -0.03 -0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 55.13 1i04 s PHE 59 Cb -0.14 -3.51 -0.10 0.00 0.51 0.00 0.00 43.02 39.78 1i04 s PHE 59 CO 0.03 -0.98 1.27 -1.17 0.70 0.00 0.00 175.22 175.07 1i04 s LEU 60 N 2.08 4.45 0.00 -0.37 2.96 -1.26 -1.72 118.68 124.82 1i04 s LEU 60 Ca 0.08 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1i04 s LEU 60 Cb -0.24 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.81 1i04 s LEU 60 CO 0.07 -0.47 0.00 -0.62 -1.32 0.00 0.00 176.35 174.02 1i04 n GLU 61 N 0.86 1.21 -3.74 1.98 -0.58 0.58 -3.73 120.64 117.22 1i04 n GLU 61 Ca -0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1i04 n GLU 61 Cb 0.42 -0.89 -0.09 0.00 -0.57 0.00 0.00 31.44 30.31 1i04 n GLU 61 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1i04 s GLN 62 N -1.79 0.66 -0.12 3.49 -1.52 -1.06 -1.51 119.66 117.81 1i04 s GLN 62 Ca 0.00 -0.02 0.00 0.00 -1.95 0.00 0.00 55.36 53.39 1i04 s GLN 62 Cb 0.00 0.30 0.02 0.00 -0.22 0.00 0.00 33.01 33.11 1i04 s GLN 62 CO 0.00 -0.17 -0.10 0.42 -0.25 0.00 0.00 175.29 175.19 1i04 s ILE 63 N -1.03 1.15 -0.21 1.08 1.01 -0.26 -0.91 121.20 122.05 1i04 s ILE 63 Ca -0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1i04 s ILE 63 Cb -0.04 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1i04 s ILE 63 CO 0.04 0.39 0.01 -1.00 0.00 0.00 0.00 174.94 174.38 1i04 s HIS 64 N 1.54 3.05 -0.23 3.97 3.76 -0.09 -0.37 115.29 126.93 1i04 s HIS 64 Ca 0.03 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.33 1i04 s HIS 64 Cb -0.13 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 1i04 s HIS 64 CO -0.07 -0.24 0.45 0.08 -0.85 0.00 0.00 174.74 174.10 1i04 s VAL 65 N 1.05 5.14 0.44 -0.90 1.01 -1.26 -0.79 120.40 125.09 1i04 s VAL 65 Ca 0.02 0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1i04 s VAL 65 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1i04 s VAL 65 CO 0.02 0.18 0.23 -0.76 0.00 0.00 0.00 175.10 174.77 1i04 s LEU 66 N 1.74 3.07 0.13 3.92 1.43 -0.27 -5.01 118.68 123.68 1i04 s LEU 66 Ca 0.20 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 51.96 1i04 s LEU 66 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1i04 s LEU 66 CO 0.09 -0.65 1.63 -0.08 0.23 0.00 0.00 176.35 177.57 1i04 h GLU 67 N 1.27 -0.38 -0.06 1.70 4.81 -2.02 -3.19 114.58 116.71 1i04 h GLU 67 Ca -0.42 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1i04 h GLU 67 Cb 1.26 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1i04 h GLU 67 CO 0.67 -0.26 0.00 0.09 -0.73 0.00 0.00 179.01 178.78 1i04 n ASN 68 N -5.39 2.64 -3.39 1.04 5.03 -1.26 -5.05 115.26 108.88 1i04 n ASN 68 Ca -0.04 -2.95 -0.11 0.00 0.87 0.00 0.00 54.58 52.35 1i04 n ASN 68 Cb 0.30 -0.41 -0.03 0.00 -1.02 0.00 0.00 39.78 38.63 1i04 n ASN 68 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1i04 s SER 69 N -2.47 0.35 -0.03 6.41 0.15 -1.21 -2.08 113.70 114.83 1i04 s SER 69 Ca 0.31 -1.21 0.01 0.00 0.70 0.00 0.00 55.95 55.76 1i04 s SER 69 Cb 0.26 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1i04 s SER 69 CO 0.04 -1.36 -0.03 -0.76 1.20 0.00 0.00 173.24 172.33 1i04 s LEU 70 N -3.12 1.45 -0.25 3.45 1.02 0.77 -1.11 118.68 120.90 1i04 s LEU 70 Ca 0.23 -0.07 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 1i04 s LEU 70 Cb -0.02 -0.29 -0.03 0.00 0.02 0.00 0.00 46.19 45.87 1i04 s LEU 70 CO 0.14 -0.04 0.08 -0.69 0.02 0.00 0.00 176.35 175.87 1i04 s VAL 71 N 0.67 4.48 -0.17 -1.59 1.01 0.03 0.34 120.40 125.18 1i04 s VAL 71 Ca -0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1i04 s VAL 71 Cb -0.11 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1i04 s VAL 71 CO -0.01 0.34 0.02 -0.76 0.00 0.00 0.00 175.10 174.69 1i04 s LEU 72 N 1.53 3.57 -0.21 3.92 1.43 0.25 -0.91 118.68 128.26 1i04 s LEU 72 Ca 0.06 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1i04 s LEU 72 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1i04 s LEU 72 CO 0.04 0.18 -0.06 -0.54 0.23 0.00 0.00 176.35 176.21 1i04 s LYS 73 N 0.29 3.37 0.40 1.70 -0.14 -0.08 -1.23 119.74 124.05 1i04 s LYS 73 Ca 0.00 -0.64 0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1i04 s LYS 73 Cb -0.13 -2.95 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1i04 s LYS 73 CO 0.01 -0.14 0.14 -0.06 -0.76 0.00 0.00 175.35 174.54 1i04 s PHE 74 N 1.32 1.78 -0.01 3.18 0.40 0.11 -0.31 117.98 124.44 1i04 s PHE 74 Ca 0.04 -1.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.07 1i04 s PHE 74 Cb -0.14 -1.13 0.01 0.00 0.51 0.00 0.00 43.02 42.26 1i04 s PHE 74 CO -0.03 -0.33 -0.03 -1.01 0.70 0.00 0.00 175.22 174.52 1i04 s HIS 75 N -3.22 0.37 0.19 0.36 3.76 -0.70 -0.06 115.29 115.99 1i04 s HIS 75 Ca 0.25 -0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.16 1i04 s HIS 75 Cb 0.02 -0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 1i04 s HIS 75 CO 0.15 -0.05 0.10 0.95 -0.85 0.00 0.00 174.74 175.04 1i04 s THR 76 N 0.26 4.18 -0.11 1.30 -4.23 0.07 -2.00 115.64 115.11 1i04 s THR 76 Ca -0.02 -1.29 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1i04 s THR 76 Cb -0.06 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.64 1i04 s THR 76 CO -0.00 -0.17 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.03 1i04 s VAL 77 N -1.84 1.75 -0.26 2.29 1.01 -1.26 -1.72 120.40 120.35 1i04 s VAL 77 Ca 0.30 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1i04 s VAL 77 Cb -0.09 -1.55 0.09 0.00 0.00 0.00 0.00 36.38 34.82 1i04 s VAL 77 CO 0.22 0.49 0.09 -0.60 0.00 0.00 0.00 175.10 175.30 1i04 s ARG 78 N 0.75 0.49 -0.74 2.72 3.52 -0.76 -4.46 118.95 120.47 1i04 s ARG 78 Ca -0.10 -0.67 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1i04 s ARG 78 Cb -0.16 -1.75 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 1i04 s ARG 78 CO 0.01 -0.89 0.69 -0.25 -0.81 0.00 0.00 175.30 174.06 1i04 n ASP 79 N 5.05 -7.23 -1.08 -2.12 8.00 -1.26 -3.09 116.55 114.84 1i04 n ASP 79 Ca -0.05 -0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.18 1i04 n ASP 79 Cb 0.44 -5.01 -0.04 0.00 -0.02 0.00 0.00 41.12 36.49 1i04 n ASP 79 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1i04 n GLU 80 N -1.98 -1.38 -4.43 -1.24 0.00 -1.26 -4.92 120.64 105.44 1i04 n GLU 80 Ca -0.01 0.57 -0.27 0.00 0.00 0.00 0.00 57.16 57.45 1i04 n GLU 80 Cb 0.52 -4.65 -0.17 0.00 0.00 0.00 0.00 31.44 27.14 1i04 n GLU 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1i04 s GLU 81 N -2.58 1.88 0.40 3.44 2.02 -1.18 -1.98 118.70 120.71 1i04 s GLU 81 Ca 0.00 -0.45 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 1i04 s GLU 81 Cb 0.00 -1.63 -0.07 0.00 0.10 0.00 0.00 34.13 32.54 1i04 s GLU 81 CO 0.00 -0.06 0.78 0.00 0.02 0.00 0.00 175.26 176.00 1i04 s SER 83 N -3.10 0.19 0.14 0.00 0.01 -0.70 -4.95 113.70 105.30 1i04 s SER 83 Ca 0.52 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.55 1i04 s SER 83 Cb -0.10 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.01 1i04 s SER 83 CO 0.31 -0.15 1.13 -0.70 0.41 0.00 0.00 173.24 174.24 1i04 s GLU 84 N 1.24 4.54 -0.05 12.44 2.12 -1.26 -0.75 118.70 136.99 1i04 s GLU 84 Ca -0.07 1.74 0.02 0.00 0.36 0.00 0.00 54.97 57.02 1i04 s GLU 84 Cb -0.13 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1i04 s GLU 84 CO -0.03 -0.04 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.40 1i04 s LEU 85 N 0.05 1.53 0.11 2.70 2.96 0.91 -4.93 118.68 122.01 1i04 s LEU 85 Ca 0.52 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1i04 s LEU 85 Cb -0.30 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1i04 s LEU 85 CO 0.33 -0.00 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.76 1i04 s SER 86 N 0.67 4.02 0.01 3.68 0.01 -1.26 0.05 113.70 120.88 1i04 s SER 86 Ca -0.11 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1i04 s SER 86 Cb -0.14 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1i04 s SER 86 CO 0.01 0.19 0.01 -0.04 0.41 0.00 0.00 173.24 173.82 1i04 s MET 87 N -2.09 0.22 -0.23 12.44 -1.94 -0.37 -4.99 119.30 122.35 1i04 s MET 87 Ca 0.18 -0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 53.82 1i04 s MET 87 Cb -0.11 0.08 0.02 0.00 2.01 0.00 0.00 34.83 36.84 1i04 s MET 87 CO 0.11 -0.04 -0.09 0.08 -0.01 0.00 0.00 175.02 175.07 1i04 s VAL 88 N -0.87 2.72 -0.26 -6.03 1.01 -1.26 -0.58 120.40 115.13 1i04 s VAL 88 Ca -0.10 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1i04 s VAL 88 Cb -0.06 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1i04 s VAL 88 CO -0.00 0.29 0.15 0.00 0.00 0.00 0.00 175.10 175.53 1i04 s ALA 89 N 1.32 3.44 0.00 5.51 0.00 0.15 -4.62 121.76 127.57 1i04 s ALA 89 Ca 0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1i04 s ALA 89 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1i04 s ALA 89 CO -0.06 -0.46 0.18 -0.51 0.00 0.00 0.00 175.76 174.91 1i04 s ASP 90 N 1.57 6.34 0.30 0.00 1.01 -0.42 -0.16 116.67 125.31 1i04 s ASP 90 Ca 0.07 0.33 -0.29 0.00 0.71 0.00 0.00 52.55 53.36 1i04 s ASP 90 Cb -0.15 -1.98 -0.11 0.00 1.01 0.00 0.00 42.92 41.69 1i04 s ASP 90 CO 0.08 0.25 1.47 -0.54 0.21 0.00 0.00 175.17 176.64 1i04 s LYS 91 N -2.01 4.21 0.00 8.23 1.02 -0.88 -0.65 119.74 129.65 1i04 s LYS 91 Ca 0.28 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1i04 s LYS 91 Cb -0.13 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 1i04 s LYS 91 CO 0.20 -0.46 0.00 0.25 -0.92 0.00 0.00 175.35 174.41 1i04 n THR 92 N 1.69 0.00 1.52 2.17 -2.24 -0.46 -4.83 114.28 112.14 1i04 n THR 92 Ca 0.05 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 1i04 n THR 92 Cb 0.39 -1.32 0.56 0.00 -2.10 0.00 0.00 70.33 67.87 1i04 n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i04 n GLU 93 N -0.53 1.42 -3.73 -0.78 -0.58 -1.26 -4.82 120.64 110.36 1i04 n GLU 93 Ca 0.00 -0.75 -0.35 0.00 -0.42 0.00 0.00 57.16 55.65 1i04 n GLU 93 Cb 0.00 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 1i04 n GLU 93 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1i04 s LYS 94 N -2.10 3.61 0.30 3.49 3.01 -1.26 -5.06 119.74 121.73 1i04 s LYS 94 Ca 0.37 -0.03 -0.29 0.00 -1.01 0.00 0.00 55.97 55.00 1i04 s LYS 94 Cb 0.21 -3.06 -0.10 0.00 -1.01 0.00 0.00 37.83 33.86 1i04 s LYS 94 CO 0.37 0.63 1.40 0.00 0.51 0.00 0.00 175.35 178.26 1i04 s ALA 95 N -1.32 3.57 -1.53 5.17 0.00 -1.26 -2.70 121.76 123.69 1i04 s ALA 95 Ca 0.28 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1i04 s ALA 95 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1i04 s ALA 95 CO 0.17 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1i04 n GLY 96 N 1.44 1.40 3.59 0.00 0.00 -1.21 -4.31 105.19 106.09 1i04 n GLY 96 Ca 0.03 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1i04 n GLY 96 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i04 s GLU 97 N -3.19 2.52 0.13 1.61 2.12 -1.10 -4.15 118.70 116.63 1i04 s GLU 97 Ca 0.00 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.64 1i04 s GLU 97 Cb 0.00 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1i04 s GLU 97 CO 0.00 0.59 -0.13 0.71 -0.54 0.00 0.00 175.26 175.89 1i04 s TYR 98 N -1.01 1.37 0.07 5.30 1.51 0.21 -1.35 117.35 123.45 1i04 s TYR 98 Ca 0.17 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 1i04 s TYR 98 Cb -0.11 -0.71 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1i04 s TYR 98 CO 0.08 0.14 -0.12 -1.54 -1.11 0.00 0.00 175.55 173.00 1i04 s SER 99 N -2.67 1.52 -0.17 2.29 1.04 0.17 0.06 113.70 115.94 1i04 s SER 99 Ca 0.11 -0.65 -0.21 0.00 0.48 0.00 0.00 55.95 55.68 1i04 s SER 99 Cb -0.03 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1i04 s SER 99 CO 0.03 -0.13 0.56 0.54 0.98 0.00 0.00 173.24 175.22 1i04 s VAL 100 N -1.53 0.01 -0.24 5.02 0.11 -0.03 -1.30 120.40 122.43 1i04 s VAL 100 Ca -0.02 -0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.80 1i04 s VAL 100 Cb -0.09 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1i04 s VAL 100 CO 0.02 -0.03 0.52 -0.89 -3.33 0.00 0.00 175.10 171.39 1i04 s THR 101 N -0.11 5.08 -0.30 5.04 2.01 -1.26 -0.96 115.64 125.14 1i04 s THR 101 Ca -0.03 0.91 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 1i04 s THR 101 Cb -0.03 -3.83 0.17 0.00 0.01 0.00 0.00 72.50 68.82 1i04 s THR 101 CO 0.03 0.12 0.96 -0.47 -0.69 0.00 0.00 174.62 174.57 1i04 s TYR 102 N 2.04 -0.75 -1.61 4.92 5.04 -1.26 -4.92 117.35 120.81 1i04 s TYR 102 Ca 0.22 1.00 -0.13 0.00 -2.44 0.00 0.00 57.07 55.72 1i04 s TYR 102 Cb -0.15 0.34 0.11 0.00 0.35 0.00 0.00 41.96 42.60 1i04 s TYR 102 CO 0.09 -0.39 0.66 -3.47 -1.34 0.00 0.00 175.55 171.10 1i04 n ASP 103 N 5.24 -2.35 0.00 4.32 2.03 -1.26 -4.55 116.55 119.98 1i04 n ASP 103 Ca -0.07 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1i04 n ASP 103 Cb 0.53 -2.82 0.00 0.00 -0.72 0.00 0.00 41.12 38.11 1i04 n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i04 n GLY 104 N -1.62 0.43 3.54 0.27 0.00 -1.26 -4.76 105.19 101.79 1i04 n GLY 104 Ca -0.05 -2.25 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 1i04 n GLY 104 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i04 s PHE 105 N -0.28 3.17 0.05 1.61 5.36 0.14 -4.44 117.98 123.59 1i04 s PHE 105 Ca 0.00 -0.12 0.07 0.00 -0.96 0.00 0.00 56.93 55.92 1i04 s PHE 105 Cb 0.00 -2.24 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 1i04 s PHE 105 CO 0.00 -0.16 -0.19 -0.80 -1.46 0.00 0.00 175.22 172.61 1i04 s ASN 106 N 1.33 3.77 -0.00 6.13 0.01 -0.13 -0.54 114.94 125.50 1i04 s ASN 106 Ca 0.06 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 1i04 s ASN 106 Cb -0.15 -0.59 -0.00 0.00 0.41 0.00 0.00 41.25 40.93 1i04 s ASN 106 CO 0.05 0.25 -0.04 0.42 -1.51 0.00 0.00 177.10 176.26 1i04 s THR 107 N -0.94 0.35 0.08 1.60 -4.23 -0.79 -0.85 115.64 110.86 1i04 s THR 107 Ca 0.15 -0.18 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 1i04 s THR 107 Cb -0.10 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1i04 s THR 107 CO 0.06 0.10 0.20 0.72 -0.54 0.00 0.00 174.62 175.16 1i04 s PHE 108 N -0.05 0.11 0.36 3.99 -0.71 0.11 -0.78 117.98 121.00 1i04 s PHE 108 Ca 0.01 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.45 1i04 s PHE 108 Cb -0.02 -0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1i04 s PHE 108 CO -0.00 -0.52 0.13 0.95 -1.34 0.00 0.00 175.22 174.43 1i04 s THR 109 N -3.54 0.62 -0.54 -4.49 -4.23 -0.47 -0.62 115.64 102.37 1i04 s THR 109 Ca 0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1i04 s THR 109 Cb 0.03 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.52 1i04 s THR 109 CO -0.09 0.00 0.31 -0.63 -0.54 0.00 0.00 174.62 173.67 1i04 s ILE 110 N -3.36 2.31 0.58 2.99 1.01 -1.26 -1.60 121.20 121.87 1i04 s ILE 110 Ca 0.30 -3.34 0.28 0.00 0.00 0.00 0.00 60.65 57.89 1i04 s ILE 110 Cb 0.05 -2.58 0.34 0.00 0.01 0.00 0.00 42.46 40.28 1i04 s ILE 110 CO 0.16 -0.88 2.22 1.55 0.00 0.00 0.00 174.94 177.98 1i04 h PRO 111 N 6.27 0.00 -1.78 2.79 0.13 -1.89 0.32 132.00 137.84 1i04 h PRO 111 Ca -0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1i04 h PRO 111 Cb 0.87 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.76 1i04 h PRO 111 CO 0.64 0.00 0.25 0.21 -0.23 0.00 0.00 178.00 178.87 1i04 s LYS 112 N -4.70 0.60 0.06 0.86 2.20 -1.24 -4.13 119.74 113.38 1i04 s LYS 112 Ca -0.05 0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 56.20 1i04 s LYS 112 Cb 0.15 0.21 0.06 0.00 -1.51 0.00 0.00 37.83 36.75 1i04 s LYS 112 CO 0.57 -0.10 0.56 -0.08 -0.36 0.00 0.00 175.35 175.94 1i04 s THR 113 N 0.90 0.02 -0.13 3.43 -1.32 -0.64 0.06 115.64 117.97 1i04 s THR 113 Ca -0.04 -0.17 0.10 0.00 -1.21 0.00 0.00 61.69 60.36 1i04 s THR 113 Cb -0.05 -0.99 0.17 0.00 -1.51 0.00 0.00 72.50 70.13 1i04 s THR 113 CO -0.10 -0.09 1.10 -0.90 -2.21 0.00 0.00 174.62 172.42 1i04 n ASP 114 N 0.31 2.32 0.00 8.08 5.75 -0.82 -1.36 116.55 130.83 1i04 n ASP 114 Ca -0.18 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.09 1i04 n ASP 114 Cb 0.61 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1i04 n ASP 114 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1i04 n TYR 115 N -0.82 0.00 -0.29 2.11 4.01 -1.25 -4.36 117.16 116.56 1i04 n TYR 115 Ca 0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.94 1i04 n TYR 115 Cb 0.46 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.78 1i04 n TYR 115 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1i04 n ASP 116 N 1.18 3.78 0.15 7.72 3.85 -1.26 -4.79 116.55 127.17 1i04 n ASP 116 Ca 0.00 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1i04 n ASP 116 Cb 0.00 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.33 1i04 n ASP 116 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i04 n ASN 117 N 1.48 -0.92 -4.31 -1.12 5.15 -1.26 -4.73 115.26 109.55 1i04 n ASN 117 Ca 0.22 0.52 -0.20 0.00 -0.60 0.00 0.00 54.58 54.53 1i04 n ASN 117 Cb 0.59 1.04 -0.11 0.00 -0.53 0.00 0.00 39.78 40.77 1i04 n ASN 117 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1i04 s PHE 118 N -2.00 1.65 -0.11 1.20 -0.12 -1.26 -0.95 117.98 116.40 1i04 s PHE 118 Ca 0.00 -0.53 -0.05 0.00 -0.05 0.00 0.00 56.93 56.30 1i04 s PHE 118 Cb 0.00 -0.82 0.05 0.00 -0.63 0.00 0.00 43.02 41.62 1i04 s PHE 118 CO 0.00 0.27 0.25 -1.17 -0.05 0.00 0.00 175.22 174.52 1i04 s LEU 119 N -2.77 0.38 -0.15 -1.99 0.20 -0.01 -1.95 118.68 112.40 1i04 s LEU 119 Ca 0.15 0.53 -0.00 0.00 0.69 0.00 0.00 54.13 55.50 1i04 s LEU 119 Cb -0.04 0.73 -0.01 0.00 -0.43 0.00 0.00 46.19 46.44 1i04 s LEU 119 CO 0.05 -0.17 -0.13 -0.04 -0.29 0.00 0.00 176.35 175.77 1i04 s MET 120 N 1.31 3.31 0.02 1.98 -1.94 0.11 -0.56 119.30 123.52 1i04 s MET 120 Ca -0.09 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1i04 s MET 120 Cb -0.10 -2.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 1i04 s MET 120 CO -0.09 0.10 -0.23 0.00 -0.01 0.00 0.00 175.02 174.80 1i04 s ALA 121 N 0.63 2.36 -0.17 3.03 0.00 0.43 -3.18 121.76 124.86 1i04 s ALA 121 Ca -0.07 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1i04 s ALA 121 Cb -0.16 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.37 1i04 s ALA 121 CO 0.03 0.54 -0.18 -1.58 0.00 0.00 0.00 175.76 174.57 1i04 s HIS 122 N -0.77 2.57 0.09 0.00 5.65 -0.63 -0.16 115.29 122.04 1i04 s HIS 122 Ca 0.12 -1.49 0.10 0.00 0.25 0.00 0.00 55.06 54.04 1i04 s HIS 122 Cb -0.10 -1.81 -0.03 0.00 -1.18 0.00 0.00 32.58 29.46 1i04 s HIS 122 CO 0.02 -0.75 -0.26 -1.17 -0.65 0.00 0.00 174.74 171.92 1i04 s LEU 123 N 1.32 2.25 -0.14 8.88 0.20 0.11 -1.36 118.68 129.93 1i04 s LEU 123 Ca 0.04 -0.67 0.01 0.00 0.69 0.00 0.00 54.13 54.19 1i04 s LEU 123 Cb -0.13 -1.22 0.02 0.00 -0.43 0.00 0.00 46.19 44.42 1i04 s LEU 123 CO -0.11 0.21 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.37 1i04 s ILE 124 N -0.95 1.58 -0.07 6.68 1.01 0.04 -0.56 121.20 128.93 1i04 s ILE 124 Ca 0.13 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1i04 s ILE 124 Cb -0.10 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1i04 s ILE 124 CO 0.04 0.46 -0.06 0.21 0.00 0.00 0.00 174.94 175.59 1i04 s ASN 125 N 1.35 4.69 -0.12 3.58 3.84 -0.39 -1.88 114.94 126.01 1i04 s ASN 125 Ca 0.02 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.08 1i04 s ASN 125 Cb -0.13 -1.20 0.02 0.00 -0.55 0.00 0.00 41.25 39.39 1i04 s ASN 125 CO -0.08 0.36 -0.11 -1.61 -2.79 0.00 0.00 177.10 172.87 1i04 s GLU 126 N -0.80 1.89 -0.60 0.43 2.02 0.30 -2.10 118.70 119.84 1i04 s GLU 126 Ca 0.12 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.75 1i04 s GLU 126 Cb -0.11 -1.78 0.18 0.00 0.10 0.00 0.00 34.13 32.51 1i04 s GLU 126 CO 0.01 -0.20 0.46 1.17 0.02 0.00 0.00 175.26 176.72 1i04 n LYS 127 N 4.69 1.30 -2.15 1.61 4.81 -1.04 0.26 118.16 127.64 1i04 n LYS 127 Ca -0.16 -4.03 0.00 0.00 -0.87 0.00 0.00 58.31 53.25 1i04 n LYS 127 Cb 0.50 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1i04 n LYS 127 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1i04 n ASP 128 N 2.17 -4.13 0.00 3.14 -0.08 -1.26 -3.93 116.55 112.46 1i04 n ASP 128 Ca 0.24 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1i04 n ASP 128 Cb 0.40 -0.97 0.00 0.00 2.34 0.00 0.00 41.12 42.89 1i04 n ASP 128 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i04 n GLY 129 N 1.08 2.15 3.86 0.27 0.00 -1.26 -5.06 105.19 106.23 1i04 n GLY 129 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1i04 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i04 s GLU 130 N 0.00 3.86 0.03 1.61 2.12 -1.25 -5.09 118.70 119.97 1i04 s GLU 130 Ca 0.00 0.63 0.06 0.00 0.36 0.00 0.00 54.97 56.02 1i04 s GLU 130 Cb 0.00 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 1i04 s GLU 130 CO 0.00 -0.08 -0.16 0.99 -0.54 0.00 0.00 175.26 175.47 1i04 s THR 131 N -2.40 1.31 0.03 -1.70 2.01 -1.26 -2.51 115.64 111.12 1i04 s THR 131 Ca 0.54 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1i04 s THR 131 Cb -0.10 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 1i04 s THR 131 CO 0.30 0.15 0.09 0.72 -0.69 0.00 0.00 174.62 175.18 1i04 s PHE 132 N -0.72 0.16 0.04 4.92 -0.12 -0.89 -5.00 117.98 116.37 1i04 s PHE 132 Ca 0.04 -0.40 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 1i04 s PHE 132 Cb -0.08 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1i04 s PHE 132 CO 0.01 -0.32 -0.00 -0.65 -0.05 0.00 0.00 175.22 174.20 1i04 s GLN 133 N -2.12 2.66 -0.01 1.99 -0.21 -1.26 -1.26 119.66 119.45 1i04 s GLN 133 Ca -0.09 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.59 1i04 s GLN 133 Cb -0.04 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.37 1i04 s GLN 133 CO -0.02 0.58 -0.08 -1.17 -2.12 0.00 0.00 175.29 172.48 1i04 s LEU 134 N -1.90 2.01 -0.03 2.90 0.20 0.28 -2.43 118.68 119.71 1i04 s LEU 134 Ca 0.22 -0.14 0.06 0.00 0.69 0.00 0.00 54.13 54.97 1i04 s LEU 134 Cb -0.12 -0.39 -0.01 0.00 -0.43 0.00 0.00 46.19 45.24 1i04 s LEU 134 CO 0.14 0.09 -0.22 -0.04 -0.29 0.00 0.00 176.35 176.03 1i04 s MET 135 N -0.17 1.99 -0.03 1.98 -1.94 0.88 0.05 119.30 122.06 1i04 s MET 135 Ca 0.03 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 1i04 s MET 135 Cb -0.03 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.98 1i04 s MET 135 CO -0.00 0.43 -0.11 0.20 -0.01 0.00 0.00 175.02 175.52 1i04 s GLY 136 N -0.37 0.63 -0.21 -0.03 0.00 0.77 -1.32 107.32 106.79 1i04 s GLY 136 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1i04 s GLY 136 CO 0.01 -0.17 -0.10 -2.27 0.00 0.00 0.00 173.10 170.57 1i04 s LEU 137 N 0.12 2.70 0.06 0.66 2.96 0.40 -0.43 118.68 125.16 1i04 s LEU 137 Ca -0.03 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1i04 s LEU 137 Cb -0.09 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1i04 s LEU 137 CO 0.01 -0.03 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.43 1i04 s TYR 138 N 1.39 2.33 0.07 5.38 2.02 0.28 -0.10 117.35 128.71 1i04 s TYR 138 Ca 0.05 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1i04 s TYR 138 Cb -0.14 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1i04 s TYR 138 CO -0.07 0.18 -0.15 0.20 -1.57 0.00 0.00 175.55 174.14 1i04 s GLY 139 N -1.42 0.89 0.48 0.71 0.00 -0.28 -0.83 107.32 106.87 1i04 s GLY 139 Ca 0.12 -0.99 0.20 0.00 0.00 0.00 0.00 44.72 44.06 1i04 s GLY 139 CO 0.03 -1.00 2.02 3.21 0.00 0.00 0.00 173.10 177.35 1i04 h ARG 140 N 4.42 0.00 -6.16 2.90 2.47 -1.32 0.09 114.38 116.78 1i04 h ARG 140 Ca -0.41 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.78 1i04 h ARG 140 Cb 1.19 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.44 1i04 h ARG 140 CO 0.41 0.17 -0.55 -1.21 0.56 0.00 0.00 179.97 179.35 1i04 s GLU 141 N -4.39 2.52 0.00 0.04 8.01 -1.26 -4.70 118.70 118.92 1i04 s GLU 141 Ca -0.03 -1.37 0.01 0.00 0.01 0.00 0.00 54.97 53.59 1i04 s GLU 141 Cb 0.14 -2.30 0.07 0.00 -4.31 0.00 0.00 34.13 27.73 1i04 s GLU 141 CO 0.65 0.24 0.73 -2.30 0.01 0.00 0.00 175.26 174.58 1i04 n PRO 142 N -1.12 0.03 -3.87 0.39 -0.02 -1.26 -4.64 135.00 124.50 1i04 n PRO 142 Ca -0.05 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 1i04 n PRO 142 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 1i04 n PRO 142 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1i04 s ASP 143 N -2.34 -0.10 0.07 2.55 3.68 -1.26 -4.76 116.67 114.51 1i04 s ASP 143 Ca 0.01 -0.72 0.01 0.00 2.13 0.00 0.00 52.55 53.99 1i04 s ASP 143 Cb 0.01 0.52 -0.03 0.00 -1.45 0.00 0.00 42.92 41.96 1i04 s ASP 143 CO 0.02 -1.00 -0.06 -0.76 0.13 0.00 0.00 175.17 173.49 1i04 s LEU 144 N -2.94 2.40 1.04 -1.34 1.43 -1.26 -4.86 118.68 113.15 1i04 s LEU 144 Ca 0.15 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1i04 s LEU 144 Cb 0.01 -0.05 0.21 0.00 0.03 0.00 0.00 46.19 46.39 1i04 s LEU 144 CO 0.00 -0.39 1.08 -0.94 0.23 0.00 0.00 176.35 176.34 1i04 s SER 145 N -2.42 1.98 0.24 2.29 1.04 -1.26 -4.82 113.70 110.75 1i04 s SER 145 Ca 0.02 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.31 1i04 s SER 145 Cb -0.01 -2.42 0.28 0.00 0.10 0.00 0.00 66.02 63.98 1i04 s SER 145 CO -0.04 -3.63 1.59 0.28 0.98 0.00 0.00 173.24 172.42 1i04 h SER 146 N -2.23 0.30 -0.88 7.02 0.02 -2.01 -2.31 113.55 113.46 1i04 h SER 146 Ca -0.53 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.25 1i04 h SER 146 Cb 1.30 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 1i04 h SER 146 CO 0.47 0.79 0.50 0.44 -1.14 0.00 0.00 176.83 177.89 1i04 h ASP 147 N 0.21 1.09 -0.13 3.07 3.32 -1.99 0.16 116.42 122.15 1i04 h ASP 147 Ca 0.00 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1i04 h ASP 147 Cb 1.04 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.32 1i04 h ASP 147 CO 0.09 0.86 -0.50 0.40 -1.72 0.00 0.00 179.24 178.36 1i04 h ILE 148 N 1.23 1.35 -0.16 0.35 2.04 -1.90 -2.18 117.51 118.24 1i04 h ILE 148 Ca 0.31 -1.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.37 1i04 h ILE 148 Cb 0.00 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1i04 h ILE 148 CO -0.05 0.55 0.03 0.11 0.00 0.00 0.00 178.15 178.78 1i04 h LYS 149 N 0.21 0.23 -0.11 2.37 1.57 -1.11 -1.15 116.57 118.56 1i04 h LYS 149 Ca -0.03 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 1i04 h LYS 149 Cb 1.14 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1i04 h LYS 149 CO 0.11 0.23 -0.60 1.49 -0.57 0.00 0.00 179.45 180.10 1i04 h GLU 150 N 0.23 0.61 -1.00 3.15 4.57 -0.90 -0.63 114.58 120.61 1i04 h GLU 150 Ca 0.06 -0.51 0.07 0.00 -1.18 0.00 0.00 59.36 57.80 1i04 h GLU 150 Cb 0.11 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 1i04 h GLU 150 CO -0.00 1.13 0.65 0.00 -1.18 0.00 0.00 179.01 179.60 1i04 h ARG 151 N 0.25 1.13 -0.35 1.92 3.08 -0.86 0.25 114.38 119.80 1i04 h ARG 151 Ca -0.04 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1i04 h ARG 151 Cb 1.25 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1i04 h ARG 151 CO 0.12 0.75 0.02 0.35 -1.07 0.00 0.00 179.97 180.15 1i04 h PHE 152 N 1.16 0.64 -0.48 3.04 3.57 -1.08 -2.17 116.94 121.63 1i04 h PHE 152 Ca 0.43 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.86 1i04 h PHE 152 Cb 0.18 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1i04 h PHE 152 CO -0.00 0.69 0.27 0.00 -2.23 0.00 0.00 178.31 177.03 1i04 h ALA 153 N 0.88 0.61 -0.76 2.41 0.00 -0.05 -0.31 119.26 122.03 1i04 h ALA 153 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1i04 h ALA 153 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1i04 h ALA 153 CO 0.01 -0.05 0.43 1.96 0.00 0.00 0.00 179.25 181.60 1i04 h GLN 154 N 0.54 1.04 -0.50 0.00 1.08 -0.88 -1.73 115.11 114.66 1i04 h GLN 154 Ca 0.20 -0.11 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1i04 h GLN 154 Cb 0.05 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1i04 h GLN 154 CO -0.11 0.75 -0.08 1.25 -0.95 0.00 0.00 178.83 179.70 1i04 h LEU 155 N 1.05 0.89 -0.94 1.46 5.85 -0.66 -1.92 115.31 121.05 1i04 h LEU 155 Ca 0.27 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1i04 h LEU 155 Cb 0.00 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1i04 h LEU 155 CO -0.05 1.00 0.62 0.00 -0.34 0.00 0.00 178.44 179.67 1i04 h GLU 157 N 1.28 1.03 0.00 0.00 4.81 -0.99 -0.19 114.58 120.51 1i04 h GLU 157 Ca 0.34 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1i04 h GLU 157 Cb -0.14 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 1i04 h GLU 157 CO -0.07 1.00 -0.04 0.93 -0.73 0.00 0.00 179.01 180.09 1i04 h GLU 158 N 0.92 0.00 -0.62 1.92 5.08 -0.85 -0.38 114.58 120.65 1i04 h GLU 158 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1i04 h GLU 158 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1i04 h GLU 158 CO 0.02 0.04 0.00 0.72 -1.00 0.00 0.00 179.01 178.80 1i04 n HIS 159 N -3.47 1.08 -1.30 4.33 8.25 -0.84 -4.93 115.22 118.33 1i04 n HIS 159 Ca -0.02 -0.46 -0.04 0.00 -0.26 0.00 0.00 57.72 56.94 1i04 n HIS 159 Cb 0.16 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1i04 n HIS 159 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i04 n GLY 160 N 1.18 0.61 3.52 -1.41 0.00 -0.15 -5.02 105.19 103.92 1i04 n GLY 160 Ca 0.21 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1i04 n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i04 s ILE 161 N -2.17 5.20 0.58 -0.61 1.01 -0.14 -4.85 121.20 120.23 1i04 s ILE 161 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1i04 s ILE 161 Cb 0.00 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1i04 s ILE 161 CO 0.00 0.00 1.18 0.18 0.00 0.00 0.00 174.94 176.31 1i04 n LEU 162 N 5.09 4.82 -0.08 2.97 4.77 -1.26 -3.76 117.00 129.55 1i04 n LEU 162 Ca -0.13 0.89 0.06 0.00 -0.03 0.00 0.00 56.01 56.79 1i04 n LEU 162 Cb 0.50 -1.49 0.40 0.00 -2.33 0.00 0.00 43.42 40.50 1i04 n LEU 162 CO 0.36 -1.19 1.19 0.03 -1.33 0.00 0.00 177.39 176.45 1i04 h ARG 163 N 0.89 0.61 0.00 3.23 3.08 -1.95 0.59 114.38 120.83 1i04 h ARG 163 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1i04 h ARG 163 Cb 1.34 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1i04 h ARG 163 CO 0.54 0.40 0.00 -0.85 -1.07 0.00 0.00 179.97 178.99 1i04 n GLU 164 N -4.47 0.16 -0.55 0.04 0.28 -1.26 -1.83 120.64 113.01 1i04 n GLU 164 Ca 0.07 0.15 0.09 0.00 -0.16 0.00 0.00 57.16 57.31 1i04 n GLU 164 Cb 0.15 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 31.86 1i04 n GLU 164 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1i04 n ASN 165 N -1.36 4.50 -4.52 -1.84 5.03 0.20 -4.87 115.26 112.40 1i04 n ASN 165 Ca 0.07 -2.42 -0.37 0.00 0.87 0.00 0.00 54.58 52.73 1i04 n ASN 165 Cb 0.16 -0.54 -0.12 0.00 -1.02 0.00 0.00 39.78 38.27 1i04 n ASN 165 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1i04 s ILE 166 N -1.79 4.70 -0.26 2.41 1.01 -0.76 -2.69 121.20 123.82 1i04 s ILE 166 Ca 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.07 1i04 s ILE 166 Cb 0.31 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1i04 s ILE 166 CO 0.23 0.32 -0.03 -0.63 0.00 0.00 0.00 174.94 174.84 1i04 s ILE 167 N 1.51 3.03 -0.28 2.92 1.01 0.12 -5.00 121.20 124.51 1i04 s ILE 167 Ca 0.06 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.38 1i04 s ILE 167 Cb -0.15 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1i04 s ILE 167 CO 0.06 0.13 1.00 -0.62 0.00 0.00 0.00 174.94 175.51 1i04 s ASP 168 N 1.33 6.95 -0.25 3.58 3.68 -1.26 -1.59 116.67 129.11 1i04 s ASP 168 Ca -0.01 1.11 0.13 0.00 2.13 0.00 0.00 52.55 55.91 1i04 s ASP 168 Cb -0.17 -2.51 0.57 0.00 -1.45 0.00 0.00 42.92 39.35 1i04 s ASP 168 CO -0.03 -0.74 1.52 0.18 0.13 0.00 0.00 175.17 176.24 1i04 n LEU 169 N 6.51 4.46 0.07 -1.34 4.77 0.15 -4.72 117.00 126.90 1i04 n LEU 169 Ca 0.10 -3.29 -0.12 0.00 -0.03 0.00 0.00 56.01 52.68 1i04 n LEU 169 Cb 0.47 -0.62 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1i04 n LEU 169 CO 0.54 0.88 0.70 0.28 -1.33 0.00 0.00 177.39 178.46 1i04 h SER 170 N 1.73 -0.73 -0.69 -1.43 0.02 -1.75 -2.76 113.55 107.93 1i04 h SER 170 Ca 0.13 0.10 -0.40 0.00 -0.84 0.00 0.00 61.79 60.78 1i04 h SER 170 Cb 1.72 0.29 -0.21 0.00 0.14 0.00 0.00 62.40 64.35 1i04 h SER 170 CO 0.39 -0.32 0.51 0.59 -1.14 0.00 0.00 176.83 176.86 1i04 n ASN 171 N -5.37 4.88 -3.99 3.07 3.02 -1.26 -4.76 115.26 110.85 1i04 n ASN 171 Ca -0.05 -3.20 -0.43 0.00 -0.03 0.00 0.00 54.58 50.87 1i04 n ASN 171 Cb 0.28 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1i04 n ASN 171 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i04 n ALA 172 N -0.44 5.04 -0.26 5.41 0.00 -1.04 -4.84 120.51 124.37 1i04 n ALA 172 Ca 0.42 -4.25 -0.03 0.00 0.00 0.00 0.00 53.44 49.58 1i04 n ALA 172 Cb 1.03 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 1i04 n ALA 172 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i04 n ASN 173 N 4.55 1.40 -4.77 0.00 3.02 -1.26 -4.86 115.26 113.34 1i04 n ASN 173 Ca 0.41 -1.74 -0.34 0.00 -0.03 0.00 0.00 54.58 52.87 1i04 n ASN 173 Cb 0.38 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1i04 n ASN 173 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i04 s ARG 174 N 2.42 2.98 -0.08 3.52 1.04 -1.26 -4.73 118.95 122.83 1i04 s ARG 174 Ca 0.17 1.48 -0.03 0.00 -1.04 0.00 0.00 55.73 56.31 1i04 s ARG 174 Cb 0.08 -1.97 0.01 0.00 -2.04 0.00 0.00 34.95 31.04 1i04 s ARG 174 CO 0.00 -1.13 0.06 0.00 -0.04 0.00 0.00 175.30 174.19 1i04 n LEU 176 N 0.47 0.00 0.00 0.00 0.00 -0.83 -4.95 117.00 111.69 1i04 n LEU 176 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.91 1i04 n LEU 176 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.57 1i04 n LEU 176 CO 0.15 0.00 0.16 0.00 0.00 0.00 0.00 177.39 177.70