#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i85 n LEU 1 N 0.00 0.00 -4.69 3.17 0.00 -1.26 -5.11 117.00 109.10 1i85 n LEU 1 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1i85 n LEU 1 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1i85 n LEU 1 CO 0.00 0.00 -0.31 -0.54 0.00 0.00 0.00 177.39 176.54 1i85 s LYS 2 N 0.00 2.90 -0.10 1.96 1.02 -1.26 -2.63 119.74 121.63 1i85 s LYS 2 Ca 0.00 -0.51 -0.00 0.00 0.02 0.00 0.00 55.97 55.47 1i85 s LYS 2 Cb 0.00 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1i85 s LYS 2 CO 0.00 0.66 -0.07 0.96 -0.92 0.00 0.00 175.35 175.98 1i85 s ILE 3 N -1.02 0.91 -0.07 2.17 -5.25 0.18 -4.89 121.20 113.23 1i85 s ILE 3 Ca 0.17 -0.23 -0.15 0.00 -0.99 0.00 0.00 60.65 59.45 1i85 s ILE 3 Cb -0.11 -0.94 -0.05 0.00 2.95 0.00 0.00 42.46 44.30 1i85 s ILE 3 CO 0.07 0.34 0.40 -1.10 -1.79 0.00 0.00 174.94 172.86 1i85 s GLN 4 N 1.63 4.09 0.03 0.37 -0.21 -1.26 -2.62 119.66 121.70 1i85 s GLN 4 Ca 0.03 0.34 0.02 0.00 0.02 0.00 0.00 55.36 55.77 1i85 s GLN 4 Cb -0.13 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.54 1i85 s GLN 4 CO -0.06 0.45 -0.07 0.00 -2.12 0.00 0.00 175.29 173.49 1i85 s ALA 5 N -0.29 0.51 0.69 6.09 0.00 0.11 -4.95 121.76 123.92 1i85 s ALA 5 Ca 0.23 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 1i85 s ALA 5 Cb -0.15 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1i85 s ALA 5 CO 0.10 0.00 1.08 0.71 0.00 0.00 0.00 175.76 177.65 1i85 s TYR 6 N -1.09 3.34 0.10 0.00 1.51 -1.26 -0.35 117.35 119.60 1i85 s TYR 6 Ca -0.08 1.03 -0.31 0.00 -1.01 0.00 0.00 57.07 56.70 1i85 s TYR 6 Cb -0.08 -3.02 -0.09 0.00 -0.11 0.00 0.00 41.96 38.66 1i85 s TYR 6 CO 0.00 -1.12 1.58 0.12 -1.11 0.00 0.00 175.55 175.03 1i85 s PHE 7 N -3.32 2.73 0.00 2.71 5.36 0.32 -2.21 117.98 123.59 1i85 s PHE 7 Ca 0.58 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 1i85 s PHE 7 Cb -0.11 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1i85 s PHE 7 CO 0.51 -3.49 0.00 -1.71 -1.46 0.00 0.00 175.22 169.07 1i85 n ASN 8 N 4.90 -3.01 -0.02 6.13 4.05 -0.23 -4.90 115.26 122.18 1i85 n ASN 8 Ca 0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.18 1i85 n ASN 8 Cb 0.40 -0.73 0.00 0.00 1.23 0.00 0.00 39.78 40.68 1i85 n ASN 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1i85 n GLU 9 N -2.58 3.06 -4.45 1.20 -0.58 -0.94 -4.45 120.64 111.90 1i85 n GLU 9 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 1i85 n GLU 9 Cb 0.04 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.80 1i85 n GLU 9 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i85 s THR 10 N 1.92 2.42 -0.02 2.62 2.01 -1.26 -1.13 115.64 122.19 1i85 s THR 10 Ca 0.00 -2.25 0.03 0.00 0.31 0.00 0.00 61.69 59.78 1i85 s THR 10 Cb 0.00 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.29 1i85 s THR 10 CO 0.00 -0.28 -0.10 0.00 -0.69 0.00 0.00 174.62 173.55 1i85 s ALA 11 N -2.16 0.89 -0.59 7.40 0.00 0.25 -4.75 121.76 122.80 1i85 s ALA 11 Ca 0.26 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.69 1i85 s ALA 11 Cb -0.06 -0.31 0.15 0.00 0.00 0.00 0.00 23.12 22.90 1i85 s ALA 11 CO 0.13 0.16 0.54 -0.51 0.00 0.00 0.00 175.76 176.08 1i85 s ASP 12 N 0.10 6.27 -0.58 0.00 1.11 -1.26 0.61 116.67 122.92 1i85 s ASP 12 Ca -0.02 -1.96 -0.25 0.00 0.18 0.00 0.00 52.55 50.51 1i85 s ASP 12 Cb -0.08 -2.20 0.04 0.00 1.07 0.00 0.00 42.92 41.75 1i85 s ASP 12 CO 0.00 -0.80 1.01 -0.76 1.18 0.00 0.00 175.17 175.81 1i85 s LEU 13 N 1.33 3.94 0.62 1.23 2.01 -0.92 -4.86 118.68 122.03 1i85 s LEU 13 Ca 0.06 -0.31 -0.11 0.00 0.01 0.00 0.00 54.13 53.78 1i85 s LEU 13 Cb -0.26 -2.85 -0.03 0.00 0.01 0.00 0.00 46.19 43.05 1i85 s LEU 13 CO 0.01 -1.33 1.02 -2.16 1.01 0.00 0.00 176.35 174.90 1i85 s PRO 14 N 4.26 3.51 -0.00 1.29 0.04 -1.26 -0.97 135.00 141.87 1i85 s PRO 14 Ca 0.33 0.69 0.22 0.00 0.04 0.00 0.00 61.00 62.27 1i85 s PRO 14 Cb -0.12 -2.09 -0.27 0.00 0.04 0.00 0.00 34.50 32.07 1i85 s PRO 14 CO 0.20 -0.60 0.64 0.00 0.04 0.00 0.00 177.00 177.28 1i85 n GLN 16 N -2.11 0.00 -0.78 0.00 6.02 -1.26 -4.52 117.38 114.73 1i85 n GLN 16 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.64 1i85 n GLN 16 Cb 0.51 -4.25 0.13 0.00 1.02 0.00 0.00 30.24 27.65 1i85 n GLN 16 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1i85 n PHE 17 N -2.00 -1.64 -2.99 1.08 7.35 -1.26 -4.97 117.46 113.03 1i85 n PHE 17 Ca 0.00 0.20 -0.16 0.00 -0.76 0.00 0.00 57.45 56.74 1i85 n PHE 17 Cb 0.00 -1.72 0.00 0.00 0.35 0.00 0.00 39.48 38.11 1i85 n PHE 17 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1i85 n ALA 18 N -3.71 0.73 -0.41 3.13 0.00 -1.26 -5.06 120.51 113.93 1i85 n ALA 18 Ca 0.05 -2.52 -0.16 0.00 0.00 0.00 0.00 53.44 50.81 1i85 n ALA 18 Cb 0.56 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1i85 n ALA 18 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i85 n ASN 19 N 0.98 0.22 -0.03 0.00 2.85 -1.26 -4.86 115.26 113.17 1i85 n ASN 19 Ca 0.16 0.29 -0.07 0.00 -0.11 0.00 0.00 54.58 54.85 1i85 n ASN 19 Cb 0.62 -0.22 -0.02 0.00 1.24 0.00 0.00 39.78 41.40 1i85 n ASN 19 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1i85 n SER 20 N 0.83 1.20 -1.84 1.20 7.64 -1.26 -4.59 113.62 116.80 1i85 n SER 20 Ca 0.07 0.19 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 1i85 n SER 20 Cb -0.01 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 1i85 n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i85 n GLN 21 N -3.74 1.61 -0.02 1.43 1.13 -1.26 -4.92 117.38 111.61 1i85 n GLN 21 Ca -0.12 -0.99 0.00 0.00 -1.94 0.00 0.00 57.00 53.95 1i85 n GLN 21 Cb 0.38 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.21 1i85 n GLN 21 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1i85 n ASN 22 N 1.19 0.00 -4.27 1.08 3.02 -1.26 -4.94 115.26 110.07 1i85 n ASN 22 Ca 0.23 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.54 1i85 n ASN 22 Cb 0.60 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.64 1i85 n ASN 22 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i85 s GLN 23 N 0.00 1.15 0.15 3.52 -0.21 -1.26 -5.14 119.66 117.86 1i85 s GLN 23 Ca 0.00 -1.12 -0.13 0.00 0.02 0.00 0.00 55.36 54.13 1i85 s GLN 23 Cb 0.00 -1.38 -0.07 0.00 1.00 0.00 0.00 33.01 32.56 1i85 s GLN 23 CO 0.00 0.33 0.53 -1.54 -2.12 0.00 0.00 175.29 172.49 1i85 s SER 24 N -1.78 6.78 0.00 5.90 1.04 -1.26 -4.91 113.70 119.47 1i85 s SER 24 Ca 0.06 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1i85 s SER 24 Cb -0.10 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1i85 s SER 24 CO 0.04 0.09 0.31 0.18 0.98 0.00 0.00 173.24 174.84 1i85 n LEU 25 N 0.73 0.00 0.05 2.42 4.77 -1.26 -0.60 117.00 123.11 1i85 n LEU 25 Ca -0.05 0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1i85 n LEU 25 Cb 0.52 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 1i85 n LEU 25 CO 0.43 -0.02 -0.44 -1.28 -1.33 0.00 0.00 177.39 174.74 1i85 h SER 26 N 0.00 0.54 -0.78 -1.43 0.87 -1.91 0.82 113.55 111.65 1i85 h SER 26 Ca 0.00 -0.91 -0.44 0.00 -1.23 0.00 0.00 61.79 59.22 1i85 h SER 26 Cb 0.04 -0.18 -0.24 0.00 -0.44 0.00 0.00 62.40 61.59 1i85 h SER 26 CO 0.00 1.70 0.56 -1.84 -0.53 0.00 0.00 176.83 176.72 1i85 n GLU 27 N -3.76 2.06 -3.79 2.24 0.28 0.23 -4.22 120.64 113.68 1i85 n GLU 27 Ca -0.24 -2.40 -0.11 0.00 -0.16 0.00 0.00 57.16 54.25 1i85 n GLU 27 Cb 1.00 -1.94 -0.08 0.00 1.43 0.00 0.00 31.44 31.85 1i85 n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1i85 s LEU 28 N -2.68 1.07 -0.09 -1.84 1.43 -1.22 -3.93 118.68 111.42 1i85 s LEU 28 Ca 0.46 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1i85 s LEU 28 Cb 0.38 1.20 0.01 0.00 0.03 0.00 0.00 46.19 47.81 1i85 s LEU 28 CO 0.06 -0.59 -0.15 -0.69 0.23 0.00 0.00 176.35 175.21 1i85 s VAL 29 N -2.54 1.45 0.01 -1.59 1.01 -1.18 -2.31 120.40 115.25 1i85 s VAL 29 Ca -0.05 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1i85 s VAL 29 Cb -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1i85 s VAL 29 CO -0.03 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 1i85 s VAL 30 N 0.82 1.08 0.23 2.92 1.01 0.26 -1.69 120.40 125.04 1i85 s VAL 30 Ca -0.10 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1i85 s VAL 30 Cb -0.16 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1i85 s VAL 30 CO 0.01 0.17 0.70 0.72 0.00 0.00 0.00 175.10 176.70 1i85 s PHE 31 N -0.55 -0.29 0.10 5.22 -0.71 -1.14 0.23 117.98 120.83 1i85 s PHE 31 Ca 0.04 -0.08 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 1i85 s PHE 31 Cb -0.06 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1i85 s PHE 31 CO 0.00 -1.09 -0.12 -1.58 -1.34 0.00 0.00 175.22 171.09 1i85 s TRP 32 N -3.82 1.18 0.06 3.49 0.52 -0.89 -2.08 118.94 117.40 1i85 s TRP 32 Ca 0.08 -0.57 -0.14 0.00 0.02 0.00 0.00 56.10 55.48 1i85 s TRP 32 Cb -0.04 -0.64 0.02 0.00 -1.15 0.00 0.00 33.47 31.66 1i85 s TRP 32 CO 0.00 0.05 0.32 1.14 0.02 0.00 0.00 176.95 178.49 1i85 s GLN 33 N -2.47 0.87 0.00 4.98 -2.07 -0.79 -2.07 119.66 118.10 1i85 s GLN 33 Ca 0.04 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 1i85 s GLN 33 Cb -0.05 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 1i85 s GLN 33 CO 0.01 -0.29 0.00 -0.40 -1.32 0.00 0.00 175.29 173.29 1i85 n ASP 34 N 0.38 0.00 0.22 12.60 3.85 -1.14 -0.20 116.55 132.27 1i85 n ASP 34 Ca -0.18 -0.82 0.17 0.00 -0.71 0.00 0.00 54.79 53.26 1i85 n ASP 34 Cb 0.60 0.00 0.85 0.00 -1.35 0.00 0.00 41.12 41.23 1i85 n ASP 34 CO 0.00 0.00 0.00 1.56 -1.01 0.00 0.00 177.20 177.75 1i85 h GLN 35 N 0.00 0.00 -0.45 0.11 4.20 -1.72 -1.96 115.11 115.30 1i85 h GLN 35 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1i85 h GLN 35 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1i85 h GLN 35 CO 0.00 0.00 0.02 0.39 -0.67 0.00 0.00 178.83 178.57 1i85 n GLU 36 N -3.73 3.92 -3.47 1.46 1.02 -1.26 -4.94 120.64 113.64 1i85 n GLU 36 Ca 0.01 -3.03 -0.25 0.00 -0.02 0.00 0.00 57.16 53.87 1i85 n GLU 36 Cb 0.30 -2.08 0.03 0.00 -0.02 0.00 0.00 31.44 29.68 1i85 n GLU 36 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i85 n ASN 37 N 0.04 -5.30 -4.95 1.62 3.02 -0.74 -4.97 115.26 103.99 1i85 n ASN 37 Ca 0.26 -0.50 -0.23 0.00 -0.03 0.00 0.00 54.58 54.07 1i85 n ASN 37 Cb 1.08 -4.26 -0.01 0.00 -0.61 0.00 0.00 39.78 35.98 1i85 n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i85 s LEU 38 N -6.95 4.06 -0.14 3.41 1.43 -1.26 -4.90 118.68 114.33 1i85 s LEU 38 Ca 0.49 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1i85 s LEU 38 Cb -0.23 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1i85 s LEU 38 CO 0.60 -0.26 -0.10 -0.69 0.23 0.00 0.00 176.35 176.13 1i85 s VAL 39 N -2.26 3.28 0.00 -1.59 1.01 -1.26 -2.89 120.40 116.69 1i85 s VAL 39 Ca 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1i85 s VAL 39 Cb -0.09 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1i85 s VAL 39 CO 0.35 0.51 0.00 0.18 0.00 0.00 0.00 175.10 176.14 1i85 n LEU 40 N 3.65 1.40 -4.32 3.92 4.77 -0.88 -1.77 117.00 123.78 1i85 n LEU 40 Ca -0.18 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.53 1i85 n LEU 40 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1i85 n LEU 40 CO 0.31 0.00 -0.54 0.21 -1.33 0.00 0.00 177.39 176.04 1i85 s ASN 41 N -1.00 2.86 0.02 -1.43 3.84 -1.26 -4.64 114.94 113.34 1i85 s ASN 41 Ca 0.00 -0.64 0.06 0.00 0.21 0.00 0.00 52.86 52.49 1i85 s ASN 41 Cb 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 41.25 40.47 1i85 s ASN 41 CO 0.00 0.16 -0.18 -0.70 -2.79 0.00 0.00 177.10 173.59 1i85 s GLU 42 N -1.60 1.27 -0.40 0.43 2.12 -1.26 -2.10 118.70 117.16 1i85 s GLU 42 Ca 0.10 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.66 1i85 s GLU 42 Cb -0.10 -1.31 0.12 0.00 0.26 0.00 0.00 34.13 33.10 1i85 s GLU 42 CO 0.04 0.34 0.17 0.08 -0.54 0.00 0.00 175.26 175.34 1i85 s VAL 43 N -0.68 1.61 -0.07 3.70 1.01 0.61 -3.22 120.40 123.36 1i85 s VAL 43 Ca 0.06 -2.31 -0.18 0.00 0.00 0.00 0.00 61.98 59.55 1i85 s VAL 43 Cb -0.08 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1i85 s VAL 43 CO 0.01 -0.76 0.48 -0.47 0.00 0.00 0.00 175.10 174.36 1i85 s TYR 44 N 0.71 3.60 -0.11 5.22 5.04 0.53 -0.57 117.35 131.77 1i85 s TYR 44 Ca 0.14 0.98 -0.01 0.00 -2.44 0.00 0.00 57.07 55.73 1i85 s TYR 44 Cb -0.22 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.61 1i85 s TYR 44 CO -0.08 0.32 0.04 1.28 -1.34 0.00 0.00 175.55 175.77 1i85 n LEU 45 N 3.02 -0.05 0.00 6.97 4.77 -0.98 0.92 117.00 131.66 1i85 n LEU 45 Ca -0.09 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1i85 n LEU 45 Cb 0.52 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1i85 n LEU 45 CO 0.42 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1i85 n GLY 46 N -0.25 3.31 2.71 -0.72 0.00 0.28 -4.05 105.19 106.47 1i85 n GLY 46 Ca 0.01 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 1i85 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i85 n LYS 47 N 0.00 -0.28 -4.10 1.61 5.02 0.26 -4.92 118.16 115.75 1i85 n LYS 47 Ca 0.00 -1.73 -0.34 0.00 -2.02 0.00 0.00 58.31 54.22 1i85 n LYS 47 Cb 0.00 -0.65 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 1i85 n LYS 47 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i85 s GLU 48 N -4.57 3.34 -0.19 1.97 2.02 -1.26 -0.35 118.70 119.66 1i85 s GLU 48 Ca 0.49 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 54.77 1i85 s GLU 48 Cb -0.02 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1i85 s GLU 48 CO 0.33 -0.11 -0.01 0.15 0.02 0.00 0.00 175.26 175.64 1i85 s LYS 49 N 1.22 3.64 0.00 1.61 1.02 -1.20 -4.92 119.74 121.11 1i85 s LYS 49 Ca 0.02 -0.51 0.19 0.00 0.02 0.00 0.00 55.97 55.69 1i85 s LYS 49 Cb -0.14 -3.05 0.26 0.00 -0.52 0.00 0.00 37.83 34.38 1i85 s LYS 49 CO -0.03 0.07 1.20 1.19 -0.92 0.00 0.00 175.35 176.86 1i85 n PHE 50 N 4.07 0.23 -0.33 3.18 3.01 -1.26 -4.22 117.46 122.14 1i85 n PHE 50 Ca -0.17 -0.15 0.23 0.00 1.01 0.00 0.00 57.45 58.38 1i85 n PHE 50 Cb 0.52 -0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.45 1i85 n PHE 50 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1i85 h ASP 51 N 3.64 0.48 -1.58 4.37 5.19 -2.00 -1.76 116.42 124.76 1i85 h ASP 51 Ca 0.00 0.19 -0.62 0.00 -0.62 0.00 0.00 57.03 55.98 1i85 h ASP 51 Cb 0.82 0.15 -0.39 0.00 0.18 0.00 0.00 39.33 40.09 1i85 h ASP 51 CO 0.00 -0.14 -0.38 -1.20 -3.12 0.00 0.00 179.24 174.40 1i85 n SER 52 N -5.07 5.28 -4.47 6.45 7.64 -1.26 -5.02 113.62 117.17 1i85 n SER 52 Ca 0.31 -3.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.11 1i85 n SER 52 Cb 0.97 -0.58 -0.13 0.00 -1.01 0.00 0.00 64.21 63.47 1i85 n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i85 s VAL 53 N -5.41 3.61 0.48 0.44 1.01 -0.67 -4.56 120.40 115.30 1i85 s VAL 53 Ca 0.49 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1i85 s VAL 53 Cb 0.41 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.17 1i85 s VAL 53 CO -0.22 0.52 1.13 -2.28 0.00 0.00 0.00 175.10 174.24 1i85 s HIS 54 N 0.19 2.87 0.39 5.22 2.46 -0.73 -4.88 115.29 120.82 1i85 s HIS 54 Ca -0.04 1.55 0.09 0.00 0.47 0.00 0.00 55.06 57.13 1i85 s HIS 54 Cb -0.14 -3.30 0.86 0.00 -0.13 0.00 0.00 32.58 29.88 1i85 s HIS 54 CO 0.04 -1.36 1.98 0.66 -2.47 0.00 0.00 174.74 173.58 1i85 h SER 55 N 1.81 0.53 0.63 9.88 4.64 -1.95 -2.21 113.55 126.89 1i85 h SER 55 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1i85 h SER 55 Cb 1.25 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1i85 h SER 55 CO 0.59 0.34 -0.21 0.07 -0.87 0.00 0.00 176.83 176.75 1i85 h LYS 56 N 0.60 0.00 0.02 4.77 2.10 -1.94 -3.12 116.57 119.00 1i85 h LYS 56 Ca 0.28 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.60 1i85 h LYS 56 Cb 0.34 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 1i85 h LYS 56 CO -0.09 0.21 -1.98 0.66 -2.00 0.00 0.00 179.45 176.25 1i85 n TYR 57 N -3.57 0.69 -1.61 0.07 4.02 -0.89 -4.93 117.16 110.93 1i85 n TYR 57 Ca -0.01 0.23 -0.49 0.00 -0.01 0.00 0.00 57.90 57.62 1i85 n TYR 57 Cb 0.36 -1.12 -0.04 0.00 -0.02 0.00 0.00 39.34 38.51 1i85 n TYR 57 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1i85 n MET 58 N -3.03 1.48 -2.05 -0.72 1.56 -0.88 -2.62 117.12 110.86 1i85 n MET 58 Ca -0.25 0.53 -0.07 0.00 -0.27 0.00 0.00 57.70 57.64 1i85 n MET 58 Cb 1.08 -2.15 -0.01 0.00 2.15 0.00 0.00 33.22 34.29 1i85 n MET 58 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i85 n GLY 59 N 2.43 0.16 2.55 -5.12 0.00 -1.26 -4.91 105.19 99.04 1i85 n GLY 59 Ca 0.16 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 1i85 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i85 n ARG 60 N -1.81 0.86 -3.63 1.61 1.85 -1.08 -5.03 116.66 109.44 1i85 n ARG 60 Ca -0.09 -1.20 -0.10 0.00 -1.00 0.00 0.00 57.85 55.46 1i85 n ARG 60 Cb 0.53 0.08 -0.04 0.00 -1.05 0.00 0.00 32.46 31.99 1i85 n ARG 60 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1i85 s THR 61 N 0.12 0.05 -0.30 8.89 -4.23 -1.26 -0.42 115.64 118.49 1i85 s THR 61 Ca 0.12 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.01 1i85 s THR 61 Cb 0.28 -1.22 0.17 0.00 1.34 0.00 0.00 72.50 73.08 1i85 s THR 61 CO -0.07 -0.25 0.78 -0.94 -0.54 0.00 0.00 174.62 173.60 1i85 s SER 62 N -2.81 -0.99 0.27 3.99 1.04 -0.45 -4.96 113.70 109.79 1i85 s SER 62 Ca 0.04 0.84 -0.29 0.00 0.48 0.00 0.00 55.95 57.01 1i85 s SER 62 Cb 0.01 1.92 -0.09 0.00 0.10 0.00 0.00 66.02 67.95 1i85 s SER 62 CO -0.11 -0.19 1.21 0.12 0.98 0.00 0.00 173.24 175.25 1i85 s PHE 63 N 2.82 3.34 -0.59 5.02 5.36 -1.26 -2.92 117.98 129.76 1i85 s PHE 63 Ca 0.07 1.51 0.04 0.00 -0.96 0.00 0.00 56.93 57.59 1i85 s PHE 63 Cb -0.12 -3.47 0.15 0.00 -0.34 0.00 0.00 43.02 39.23 1i85 s PHE 63 CO -0.18 -1.24 0.36 0.34 -1.46 0.00 0.00 175.22 173.04 1i85 s ASP 64 N -0.45 4.44 0.07 6.13 -1.08 -1.19 -4.95 116.67 119.64 1i85 s ASP 64 Ca 0.49 -3.34 0.02 0.00 -0.52 0.00 0.00 52.55 49.19 1i85 s ASP 64 Cb -0.35 -1.59 0.11 0.00 -1.46 0.00 0.00 42.92 39.63 1i85 s ASP 64 CO 0.44 -0.17 0.80 -1.54 0.52 0.00 0.00 175.17 175.21 1i85 n SER 65 N 2.65 0.05 0.07 -0.34 3.41 -1.26 -0.69 113.62 117.51 1i85 n SER 65 Ca 0.12 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 1i85 n SER 65 Cb 0.34 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 1i85 n SER 65 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1i85 h ASP 66 N 0.00 -0.22 -0.56 4.04 3.45 -1.95 -3.35 116.42 117.82 1i85 h ASP 66 Ca 0.00 -0.24 0.00 0.00 0.43 0.00 0.00 57.03 57.22 1i85 h ASP 66 Cb 0.66 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 1i85 h ASP 66 CO 0.00 0.32 0.00 -1.20 -1.57 0.00 0.00 179.24 176.79 1i85 n SER 67 N -4.94 3.49 0.00 6.45 7.64 -0.47 -4.94 113.62 120.85 1i85 n SER 67 Ca -0.06 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.81 1i85 n SER 67 Cb 0.22 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1i85 n SER 67 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1i85 n TRP 68 N 1.12 0.00 -0.29 1.43 7.02 0.13 -4.60 117.44 122.26 1i85 n TRP 68 Ca 0.19 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.49 1i85 n TRP 68 Cb 0.53 -1.06 0.16 0.00 -2.42 0.00 0.00 31.31 28.52 1i85 n TRP 68 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1i85 n THR 69 N -2.00 0.00 -3.28 -0.99 -2.24 -1.25 -4.25 114.28 100.27 1i85 n THR 69 Ca 0.00 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1i85 n THR 69 Cb 0.00 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 1i85 n THR 69 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1i85 s LEU 70 N 0.00 -0.92 0.16 3.22 2.96 -0.14 -3.19 118.68 120.77 1i85 s LEU 70 Ca 0.38 -0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 1i85 s LEU 70 Cb -0.06 1.33 -0.08 0.00 0.50 0.00 0.00 46.19 47.88 1i85 s LEU 70 CO 0.32 -0.32 1.26 -0.13 -1.32 0.00 0.00 176.35 176.15 1i85 s ARG 71 N 2.61 4.42 -0.24 1.98 0.52 -1.15 -2.17 118.95 124.92 1i85 s ARG 71 Ca 0.12 1.95 -0.05 0.00 -0.52 0.00 0.00 55.73 57.22 1i85 s ARG 71 Cb -0.13 -3.24 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 1i85 s ARG 71 CO -0.25 -0.23 -0.00 -1.17 0.02 0.00 0.00 175.30 173.67 1i85 s LEU 72 N 0.24 3.19 0.40 2.53 2.96 0.20 -1.34 118.68 126.85 1i85 s LEU 72 Ca 0.57 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1i85 s LEU 72 Cb -0.34 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1i85 s LEU 72 CO 0.35 -0.07 0.64 -1.00 -1.32 0.00 0.00 176.35 174.95 1i85 s HIS 73 N 1.49 3.52 -0.96 5.38 3.76 0.43 -0.58 115.29 128.33 1i85 s HIS 73 Ca 0.05 0.55 -0.12 0.00 -0.15 0.00 0.00 55.06 55.39 1i85 s HIS 73 Cb -0.15 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1i85 s HIS 73 CO -0.01 -0.03 0.67 0.09 -0.85 0.00 0.00 174.74 174.60 1i85 n ASN 74 N -1.91 -5.12 -4.68 1.40 5.03 -0.77 -4.84 115.26 104.37 1i85 n ASN 74 Ca -0.02 -0.95 -0.40 0.00 0.87 0.00 0.00 54.58 54.08 1i85 n ASN 74 Cb 0.56 -2.40 0.03 0.00 -1.02 0.00 0.00 39.78 36.94 1i85 n ASN 74 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1i85 n LEU 75 N -3.38 4.10 -4.76 3.41 4.77 -0.28 -4.70 117.00 116.16 1i85 n LEU 75 Ca -0.19 1.01 -0.25 0.00 -0.03 0.00 0.00 56.01 56.55 1i85 n LEU 75 Cb 0.62 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 1i85 n LEU 75 CO 0.66 -0.99 -0.14 -1.10 -1.33 0.00 0.00 177.39 174.48 1i85 s GLN 76 N -2.45 2.25 0.00 3.23 -1.52 -1.26 -1.07 119.66 118.85 1i85 s GLN 76 Ca 0.67 -1.84 0.08 0.00 -1.95 0.00 0.00 55.36 52.32 1i85 s GLN 76 Cb -0.48 -2.01 0.49 0.00 -0.22 0.00 0.00 33.01 30.80 1i85 s GLN 76 CO 0.54 -0.15 1.27 0.44 -0.25 0.00 0.00 175.29 177.14 1i85 n ILE 77 N -1.28 0.00 0.08 1.08 -6.64 -1.26 -2.90 119.36 108.43 1i85 n ILE 77 Ca -0.01 0.00 0.02 0.00 -1.77 0.00 0.00 62.75 60.99 1i85 n ILE 77 Cb 0.64 -0.16 -0.03 0.00 -1.44 0.00 0.00 39.64 38.65 1i85 n ILE 77 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1i85 n LYS 78 N -0.64 2.02 0.25 6.28 4.76 -1.26 -4.53 118.16 125.05 1i85 n LYS 78 Ca 0.06 -0.03 0.14 0.00 -2.87 0.00 0.00 58.31 55.61 1i85 n LYS 78 Cb 0.03 -0.97 0.59 0.00 -1.84 0.00 0.00 35.03 32.84 1i85 n LYS 78 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1i85 h ASP 79 N 0.00 0.00 -0.43 4.39 3.32 -1.93 -3.41 116.42 118.36 1i85 h ASP 79 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1i85 h ASP 79 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1i85 h ASP 79 CO 0.00 0.10 1.37 0.29 -1.72 0.00 0.00 179.24 179.27 1i85 n LYS 80 N -3.24 0.37 -1.48 3.56 5.02 -1.26 -4.68 118.16 116.45 1i85 n LYS 80 Ca 0.00 -0.22 -0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1i85 n LYS 80 Cb 0.35 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1i85 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i85 n GLY 81 N 6.19 1.42 3.63 0.72 0.00 0.00 -4.95 105.19 112.19 1i85 n GLY 81 Ca 0.56 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 1i85 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i85 s LEU 82 N 0.00 3.68 0.05 0.99 0.20 -1.26 0.93 118.68 123.27 1i85 s LEU 82 Ca 0.01 0.07 0.07 0.00 0.69 0.00 0.00 54.13 54.97 1i85 s LEU 82 Cb -0.00 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1i85 s LEU 82 CO 0.00 0.22 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.78 1i85 s TYR 83 N 0.07 1.73 -0.05 5.38 1.51 0.10 -1.75 117.35 124.34 1i85 s TYR 83 Ca 0.04 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1i85 s TYR 83 Cb -0.13 -1.03 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1i85 s TYR 83 CO 0.01 0.09 -0.17 1.14 -1.11 0.00 0.00 175.55 175.51 1i85 s GLN 84 N -1.20 1.79 -0.18 -0.62 -2.07 0.72 0.04 119.66 118.14 1i85 s GLN 84 Ca 0.07 -0.59 -0.11 0.00 -1.82 0.00 0.00 55.36 52.91 1i85 s GLN 84 Cb -0.09 -1.54 -0.05 0.00 -1.09 0.00 0.00 33.01 30.24 1i85 s GLN 84 CO 0.02 0.22 0.17 0.00 -1.32 0.00 0.00 175.29 174.38 1i85 s ILE 86 N 0.24 2.19 -0.18 0.00 1.01 -0.88 -0.98 121.20 122.59 1i85 s ILE 86 Ca 0.11 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 58.83 1i85 s ILE 86 Cb -0.12 -1.99 0.09 0.00 0.01 0.00 0.00 42.46 40.45 1i85 s ILE 86 CO 0.00 -0.07 0.33 -0.63 0.00 0.00 0.00 174.94 174.57 1i85 s ILE 87 N -1.47 -0.51 0.55 2.92 1.01 -0.16 -2.88 121.20 120.66 1i85 s ILE 87 Ca 0.16 0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.03 1i85 s ILE 87 Cb -0.09 -0.61 0.07 0.00 0.01 0.00 0.00 42.46 41.84 1i85 s ILE 87 CO 0.08 0.02 0.76 -1.00 0.00 0.00 0.00 174.94 174.79 1i85 s HIS 88 N 2.49 1.75 -0.42 3.97 3.76 -0.68 -0.61 115.29 125.55 1i85 s HIS 88 Ca 0.04 -0.62 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 1i85 s HIS 88 Cb -0.13 -2.30 0.13 0.00 1.11 0.00 0.00 32.58 31.39 1i85 s HIS 88 CO -0.12 -1.03 0.23 -1.58 -0.85 0.00 0.00 174.74 171.39 1i85 s HIS 89 N -2.63 1.78 -0.66 1.40 2.46 0.26 -3.09 115.29 114.81 1i85 s HIS 89 Ca 0.61 -2.27 -0.26 0.00 0.47 0.00 0.00 55.06 53.60 1i85 s HIS 89 Cb -0.07 -1.74 -0.11 0.00 -0.13 0.00 0.00 32.58 30.53 1i85 s HIS 89 CO 0.38 -0.79 2.42 1.17 -2.47 0.00 0.00 174.74 175.45 1i85 n LYS 90 N 3.68 0.77 -2.69 2.88 4.81 -1.25 -3.19 118.16 123.16 1i85 n LYS 90 Ca 0.09 -0.45 -0.22 0.00 -0.87 0.00 0.00 58.31 56.85 1i85 n LYS 90 Cb 0.35 -3.54 0.03 0.00 0.02 0.00 0.00 35.03 31.89 1i85 n LYS 90 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1i85 s LYS 91 N 8.63 2.68 0.25 1.64 1.02 -1.17 -4.84 119.74 127.95 1i85 s LYS 91 Ca 0.96 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 56.37 1i85 s LYS 91 Cb -0.17 -2.47 0.32 0.00 -0.52 0.00 0.00 37.83 34.99 1i85 s LYS 91 CO 0.17 -0.63 1.62 -1.35 -0.92 0.00 0.00 175.35 174.24 1i85 h PRO 92 N 0.09 0.32 -0.16 -1.68 0.11 -2.02 -2.17 132.00 126.49 1i85 h PRO 92 Ca -0.44 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.49 1i85 h PRO 92 Cb 1.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1i85 h PRO 92 CO 0.55 0.74 0.09 1.79 -0.21 0.00 0.00 178.00 180.96 1i85 h THR 93 N 0.26 1.05 0.00 -1.15 1.35 -1.97 -3.47 112.91 108.99 1i85 h THR 93 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1i85 h THR 93 Cb 0.95 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1i85 h THR 93 CO 0.08 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1i85 n GLY 94 N -1.46 4.24 3.77 5.82 0.00 -0.81 -5.11 105.19 111.63 1i85 n GLY 94 Ca -0.01 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1i85 n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i85 s MET 95 N -3.00 3.93 -0.01 1.61 -1.94 -1.26 -3.02 119.30 115.60 1i85 s MET 95 Ca 0.00 2.37 0.01 0.00 -1.71 0.00 0.00 55.69 56.36 1i85 s MET 95 Cb 0.00 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 34.04 1i85 s MET 95 CO 0.00 -0.60 -0.03 0.42 -0.01 0.00 0.00 175.02 174.80 1i85 s ILE 96 N -1.19 0.31 0.24 2.53 1.01 -1.19 -4.90 121.20 118.00 1i85 s ILE 96 Ca 0.57 -0.10 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 1i85 s ILE 96 Cb -0.43 -0.30 -0.09 0.00 0.01 0.00 0.00 42.46 41.65 1i85 s ILE 96 CO 0.56 0.12 1.20 -0.60 0.00 0.00 0.00 174.94 176.22 1i85 s ARG 97 N 0.28 4.50 0.00 2.79 3.52 -1.26 0.90 118.95 129.69 1i85 s ARG 97 Ca -0.03 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 57.50 1i85 s ARG 97 Cb -0.06 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1i85 s ARG 97 CO -0.00 -0.03 0.03 0.44 -0.81 0.00 0.00 175.30 174.92 1i85 n ILE 98 N 1.88 0.00 -3.62 4.11 -5.35 0.22 -4.87 119.36 111.74 1i85 n ILE 98 Ca 0.02 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 1i85 n ILE 98 Cb 0.44 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 1i85 n ILE 98 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1i85 s HIS 99 N -0.44 -0.65 -0.29 4.28 5.04 -0.75 -4.98 115.29 117.50 1i85 s HIS 99 Ca 0.00 1.51 0.01 0.00 -1.54 0.00 0.00 55.06 55.03 1i85 s HIS 99 Cb 0.00 0.33 0.18 0.00 0.04 0.00 0.00 32.58 33.13 1i85 s HIS 99 CO 0.00 -0.36 0.54 -1.14 -2.34 0.00 0.00 174.74 171.44 1i85 s GLN 100 N 0.04 0.52 0.04 2.88 -0.44 -1.25 -0.99 119.66 120.46 1i85 s GLN 100 Ca -0.01 0.75 0.09 0.00 -2.50 0.00 0.00 55.36 53.70 1i85 s GLN 100 Cb -0.04 0.24 -0.03 0.00 -1.64 0.00 0.00 33.01 31.54 1i85 s GLN 100 CO -0.00 -0.76 -0.26 -1.64 0.50 0.00 0.00 175.29 173.13 1i85 s MET 101 N 2.77 1.79 -0.01 1.67 -1.94 -0.16 -4.94 119.30 118.49 1i85 s MET 101 Ca 0.16 -1.09 0.02 0.00 -1.71 0.00 0.00 55.69 53.07 1i85 s MET 101 Cb -0.14 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 1i85 s MET 101 CO -0.22 0.51 -0.03 -0.80 -0.01 0.00 0.00 175.02 174.47 1i85 s ASN 102 N -1.20 4.92 -0.04 3.03 -0.87 -1.26 -0.02 114.94 119.50 1i85 s ASN 102 Ca 0.11 -0.05 -0.04 0.00 -1.57 0.00 0.00 52.86 51.32 1i85 s ASN 102 Cb -0.10 -1.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.90 1i85 s ASN 102 CO 0.02 0.29 0.11 -0.44 -2.57 0.00 0.00 177.10 174.51 1i85 s SER 103 N -1.42 -0.11 0.14 -1.22 0.01 0.11 -4.65 113.70 106.55 1i85 s SER 103 Ca 0.18 0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.62 1i85 s SER 103 Cb -0.11 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 1i85 s SER 103 CO 0.08 -0.04 0.35 -0.70 0.41 0.00 0.00 173.24 173.34 1i85 s GLU 104 N 0.11 3.58 -0.16 12.44 2.12 -1.08 0.01 118.70 135.72 1i85 s GLU 104 Ca -0.00 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1i85 s GLU 104 Cb -0.01 -2.88 0.04 0.00 0.26 0.00 0.00 34.13 31.54 1i85 s GLU 104 CO -0.00 0.48 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.99 1i85 s LEU 105 N -2.72 1.42 -0.23 2.70 2.96 0.27 -0.65 118.68 122.43 1i85 s LEU 105 Ca 0.40 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1i85 s LEU 105 Cb -0.12 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1i85 s LEU 105 CO 0.26 -0.20 0.02 -0.44 -1.32 0.00 0.00 176.35 174.67 1i85 s SER 106 N 1.70 4.80 -0.61 3.68 0.01 -1.08 -0.82 113.70 121.39 1i85 s SER 106 Ca 0.01 -0.26 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 1i85 s SER 106 Cb -0.15 -1.84 0.15 0.00 0.21 0.00 0.00 66.02 64.39 1i85 s SER 106 CO -0.07 0.00 0.56 -0.69 0.41 0.00 0.00 173.24 173.44 1i85 s VAL 107 N 1.38 5.22 0.05 3.43 1.01 -1.24 0.06 120.40 130.30 1i85 s VAL 107 Ca 0.05 -1.79 -0.31 0.00 0.00 0.00 0.00 61.98 59.94 1i85 s VAL 107 Cb -0.15 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 1i85 s VAL 107 CO 0.01 -0.90 1.59 -0.76 0.00 0.00 0.00 175.10 175.04 1i85 s LEU 108 N 1.20 4.35 0.00 3.92 1.43 0.52 -4.70 118.68 125.40 1i85 s LEU 108 Ca 0.07 2.39 0.25 0.00 -1.03 0.00 0.00 54.13 55.81 1i85 s LEU 108 Cb -0.25 -3.56 0.49 0.00 0.03 0.00 0.00 46.19 42.91 1i85 s LEU 108 CO -0.00 -0.85 1.43 0.00 0.23 0.00 0.00 176.35 177.16