#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n55 s LEU 7 N 0.00 3.74 -0.33 0.99 1.43 -1.22 -4.95 118.68 118.33 3n55 s LEU 7 Ca 0.00 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3n55 s LEU 7 Cb 0.00 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.36 3n55 s LEU 7 CO 0.00 0.38 0.11 0.00 0.23 0.00 0.00 176.35 177.06 3n55 s ALA 8 N -0.93 3.07 0.02 4.21 0.00 -1.26 -1.44 121.76 125.43 3n55 s ALA 8 Ca 0.14 -1.66 0.01 0.00 0.00 0.00 0.00 51.96 50.45 3n55 s ALA 8 Cb -0.11 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 3n55 s ALA 8 CO 0.03 -1.22 0.08 -0.65 0.00 0.00 0.00 175.76 174.01 3n55 s GLN 9 N 1.45 3.02 -0.06 0.00 -0.21 -0.50 -5.00 119.66 118.36 3n55 s GLN 9 Ca -0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 54.86 3n55 s GLN 9 Cb -0.19 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.01 3n55 s GLN 9 CO 0.03 0.63 -0.10 -0.06 -2.12 0.00 0.00 175.29 173.67 3n55 s PHE 10 N -1.25 1.25 -0.02 0.91 0.08 -1.26 -0.65 117.98 117.04 3n55 s PHE 10 Ca 0.25 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3n55 s PHE 10 Cb -0.12 -0.95 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 3n55 s PHE 10 CO 0.16 -0.26 -0.08 0.42 -0.10 0.00 0.00 175.22 175.36 3n55 s ILE 11 N 0.76 0.69 -0.17 0.64 -1.09 -0.32 -4.04 121.20 117.68 3n55 s ILE 11 Ca -0.13 -0.33 -0.13 0.00 -2.23 0.00 0.00 60.65 57.83 3n55 s ILE 11 Cb -0.15 -0.61 -0.05 0.00 -1.58 0.00 0.00 42.46 40.07 3n55 s ILE 11 CO 0.02 0.21 0.26 -0.75 -1.23 0.00 0.00 174.94 173.46 3n55 s LYS 12 N 0.10 4.23 -0.57 2.79 2.20 -0.19 -1.22 119.74 127.08 3n55 s LYS 12 Ca -0.01 0.03 -0.15 0.00 -0.36 0.00 0.00 55.97 55.48 3n55 s LYS 12 Cb -0.07 -3.42 0.14 0.00 -1.51 0.00 0.00 37.83 32.97 3n55 s LYS 12 CO 0.00 0.26 0.51 0.08 -0.36 0.00 0.00 175.35 175.85 3n55 s VAL 13 N 0.41 5.10 -0.15 4.02 1.01 0.96 -1.42 120.40 130.34 3n55 s VAL 13 Ca 0.15 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 3n55 s VAL 13 Cb -0.13 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3n55 s VAL 13 CO 0.03 -0.88 0.60 0.20 0.00 0.00 0.00 175.10 175.05 3n55 s ASN 14 N 3.24 6.75 -0.17 3.32 0.01 -0.05 -0.30 114.94 127.73 3n55 s ASN 14 Ca 0.06 0.90 0.01 0.00 -0.71 0.00 0.00 52.86 53.12 3n55 s ASN 14 Cb -0.27 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.07 3n55 s ASN 14 CO 0.01 -0.17 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.55 3n55 s VAL 15 N 1.35 1.99 0.44 1.60 1.01 -0.50 -0.62 120.40 125.67 3n55 s VAL 15 Ca 0.30 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3n55 s VAL 15 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3n55 s VAL 15 CO 0.12 0.53 0.14 0.42 0.00 0.00 0.00 175.10 176.31 3n55 s THR 16 N 1.30 1.99 -0.10 3.92 -4.23 -0.45 -0.20 115.64 117.86 3n55 s THR 16 Ca 0.05 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3n55 s THR 16 Cb -0.13 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 3n55 s THR 16 CO -0.12 0.00 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.11 3n55 s LEU 17 N -3.89 2.99 -0.09 4.79 1.43 -1.26 -0.18 118.68 122.47 3n55 s LEU 17 Ca 0.33 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3n55 s LEU 17 Cb 0.04 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3n55 s LEU 17 CO 0.18 0.26 -0.11 -1.61 0.23 0.00 0.00 176.35 175.30 3n55 s GLU 18 N -0.19 1.72 -1.54 1.70 2.02 -0.11 -4.74 118.70 117.58 3n55 s GLU 18 Ca 0.02 -0.38 -0.14 0.00 0.02 0.00 0.00 54.97 54.48 3n55 s GLU 18 Cb -0.13 -1.54 0.10 0.00 0.10 0.00 0.00 34.13 32.66 3n55 s GLU 18 CO 0.03 -0.09 0.86 0.09 0.02 0.00 0.00 175.26 176.17 3n55 n ASN 19 N 4.25 -4.41 0.00 -0.19 3.02 -1.26 -1.70 115.26 114.98 3n55 n ASN 19 Ca -0.19 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3n55 n ASN 19 Cb 0.51 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 3n55 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n55 n GLY 20 N -1.54 1.17 3.32 7.41 0.00 -1.26 -5.01 105.19 109.28 3n55 n GLY 20 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3n55 n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n55 s GLU 21 N -0.01 1.24 0.39 1.61 0.41 -0.69 -5.04 118.70 116.61 3n55 s GLU 21 Ca 0.00 -1.36 -0.25 0.00 -0.41 0.00 0.00 54.97 52.94 3n55 s GLU 21 Cb 0.00 -1.33 -0.09 0.00 -1.78 0.00 0.00 34.13 30.93 3n55 s GLU 21 CO 0.00 0.28 1.15 -1.25 -0.49 0.00 0.00 175.26 174.95 3n55 s PRO 22 N -2.64 4.12 -0.08 0.39 0.04 -1.26 -0.93 135.00 134.64 3n55 s PRO 22 Ca 0.14 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.00 3n55 s PRO 22 Cb -0.06 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.78 3n55 s PRO 22 CO 0.06 -0.25 -0.14 0.08 0.04 0.00 0.00 177.00 176.79 3n55 s VAL 23 N -1.42 1.35 -0.28 -0.36 1.01 0.75 -4.85 120.40 116.59 3n55 s VAL 23 Ca 0.56 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3n55 s VAL 23 Cb -0.30 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 3n55 s VAL 23 CO 0.38 0.41 0.18 -0.36 0.00 0.00 0.00 175.10 175.70 3n55 s PHE 24 N 0.76 3.21 -0.16 5.22 0.08 -1.26 -1.34 117.98 124.49 3n55 s PHE 24 Ca -0.12 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.02 3n55 s PHE 24 Cb -0.16 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.94 3n55 s PHE 24 CO 0.02 -0.17 -0.16 0.42 -0.10 0.00 0.00 175.22 175.23 3n55 s ILE 25 N 1.74 1.73 -0.06 0.64 1.01 0.21 -4.99 121.20 121.48 3n55 s ILE 25 Ca 0.07 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3n55 s ILE 25 Cb -0.16 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 3n55 s ILE 25 CO 0.10 0.49 0.40 -0.31 0.00 0.00 0.00 174.94 175.62 3n55 s TYR 26 N 1.41 3.62 0.04 3.97 2.02 -1.25 -0.87 117.35 126.29 3n55 s TYR 26 Ca 0.05 0.88 0.07 0.00 -0.37 0.00 0.00 57.07 57.70 3n55 s TYR 26 Cb -0.13 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 3n55 s TYR 26 CO -0.11 0.45 -0.20 0.95 -1.57 0.00 0.00 175.55 175.06 3n55 s THR 27 N -0.34 1.63 0.22 -0.71 -4.23 -0.50 -1.15 115.64 110.56 3n55 s THR 27 Ca 0.23 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 3n55 s THR 27 Cb -0.15 -1.41 0.04 0.00 1.34 0.00 0.00 72.50 72.31 3n55 s THR 27 CO 0.11 0.22 0.30 -0.90 -0.54 0.00 0.00 174.62 173.80 3n55 n ASP 28 N 1.91 0.58 -0.34 3.99 5.68 -0.21 -1.02 116.55 127.15 3n55 n ASP 28 Ca -0.17 -1.45 0.03 0.00 -0.50 0.00 0.00 54.79 52.70 3n55 n ASP 28 Cb 0.53 -0.18 0.20 0.00 -1.14 0.00 0.00 41.12 40.54 3n55 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n55 h ALA 29 N -0.05 1.44 -0.14 2.12 0.00 -1.90 -0.50 119.26 120.24 3n55 h ALA 29 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3n55 h ALA 29 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3n55 h ALA 29 CO 0.12 0.42 0.00 0.09 0.00 0.00 0.00 179.25 179.88 3n55 n ASN 30 N -4.49 1.30 -0.17 0.00 3.02 -1.26 -4.85 115.26 108.81 3n55 n ASN 30 Ca 0.15 -2.08 -0.02 0.00 -0.03 0.00 0.00 54.58 52.59 3n55 n ASN 30 Cb 0.18 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 3n55 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n55 n GLY 31 N 0.48 0.53 3.79 7.41 0.00 -0.20 -4.99 105.19 112.22 3n55 n GLY 31 Ca 0.05 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3n55 n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n55 s GLN 32 N -1.28 4.33 0.24 1.61 -0.21 -1.26 -4.78 119.66 118.32 3n55 s GLN 32 Ca 0.00 0.86 -0.31 0.00 0.02 0.00 0.00 55.36 55.93 3n55 s GLN 32 Cb 0.00 -3.28 -0.12 0.00 1.00 0.00 0.00 33.01 30.61 3n55 s GLN 32 CO 0.00 0.53 1.66 0.08 -2.12 0.00 0.00 175.29 175.43 3n55 s VAL 33 N -0.80 2.08 0.17 1.09 1.01 -1.26 -1.05 120.40 121.64 3n55 s VAL 33 Ca 0.32 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3n55 s VAL 33 Cb -0.20 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3n55 s VAL 33 CO 0.20 0.01 0.18 0.00 0.00 0.00 0.00 175.10 175.50 3n55 n GLN 35 N -0.30 0.11 -1.22 0.00 1.13 -1.26 -3.92 117.38 111.91 3n55 n GLN 35 Ca 0.02 0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.02 3n55 n GLN 35 Cb 0.30 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 3n55 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n55 n GLY 36 N 1.39 0.81 3.77 1.08 0.00 -1.26 -4.95 105.19 106.02 3n55 n GLY 36 Ca 0.09 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3n55 n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3n55 s ASP 37 N -2.36 6.12 -0.24 1.61 1.01 -1.26 -5.08 116.67 116.47 3n55 s ASP 37 Ca 0.00 2.67 0.01 0.00 0.71 0.00 0.00 52.55 55.94 3n55 s ASP 37 Cb 0.00 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.36 3n55 s ASP 37 CO 0.00 -0.98 -0.05 -0.63 0.21 0.00 0.00 175.17 173.71 3n55 s ILE 38 N -1.29 1.59 -0.31 0.77 -1.09 -1.26 -5.06 121.20 114.55 3n55 s ILE 38 Ca 0.60 -1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 57.44 3n55 s ILE 38 Cb -0.38 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 38.65 3n55 s ILE 38 CO 0.48 -0.12 1.11 -0.89 -1.23 0.00 0.00 174.94 174.30 3n55 s THR 39 N 1.36 4.45 -0.16 2.92 2.01 -1.26 -5.04 115.64 119.92 3n55 s THR 39 Ca -0.05 1.68 -0.06 0.00 0.31 0.00 0.00 61.69 63.56 3n55 s THR 39 Cb -0.19 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.92 3n55 s THR 39 CO -0.06 -0.46 0.05 0.54 -0.69 0.00 0.00 174.62 174.00 3n55 s VAL 40 N 3.73 4.70 -0.57 3.82 0.11 -1.26 -5.03 120.40 125.91 3n55 s VAL 40 Ca 0.47 -0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.51 3n55 s VAL 40 Cb -0.13 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.63 3n55 s VAL 40 CO 0.16 0.49 0.51 0.35 -3.33 0.00 0.00 175.10 173.28 3n55 n THR 41 N 3.26 0.00 -3.77 5.04 -2.24 -1.26 -5.05 114.28 110.26 3n55 n THR 41 Ca -0.17 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 3n55 n THR 41 Cb 0.53 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 3n55 n THR 41 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3n55 s GLN 42 N -0.92 1.22 0.26 -0.78 0.74 -1.26 -5.15 119.66 113.78 3n55 s GLN 42 Ca 0.05 -0.90 -0.29 0.00 0.05 0.00 0.00 55.36 54.27 3n55 s GLN 42 Cb 0.05 0.47 -0.09 0.00 1.10 0.00 0.00 33.01 34.53 3n55 s GLN 42 CO 0.14 -0.49 1.21 0.00 -0.55 0.00 0.00 175.29 175.60 3n55 s ALA 43 N -3.88 3.46 0.00 1.58 0.00 -1.26 -4.78 121.76 116.88 3n55 s ALA 43 Ca 0.09 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3n55 s ALA 43 Cb 0.01 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3n55 s ALA 43 CO -0.05 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3n55 n GLY 44 N 1.45 -0.74 3.16 0.00 0.00 -0.50 -3.41 105.19 105.16 3n55 n GLY 44 Ca 0.01 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 3n55 n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3n55 s THR 45 N -3.00 1.04 -0.14 2.61 -4.23 -0.52 -1.31 115.64 110.08 3n55 s THR 45 Ca 0.00 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 3n55 s THR 45 Cb 0.00 -1.08 0.02 0.00 1.34 0.00 0.00 72.50 72.78 3n55 s THR 45 CO 0.00 -0.30 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.00 3n55 s ILE 46 N -1.50 1.60 -0.21 2.99 1.01 -0.43 -1.41 121.20 123.26 3n55 s ILE 46 Ca -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3n55 s ILE 46 Cb -0.09 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3n55 s ILE 46 CO 0.02 0.46 0.01 -0.89 0.00 0.00 0.00 174.94 174.54 3n55 s THR 47 N 1.30 4.00 -0.20 2.92 2.01 0.18 -0.45 115.64 125.40 3n55 s THR 47 Ca 0.01 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 3n55 s THR 47 Cb -0.14 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 3n55 s THR 47 CO -0.08 0.42 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.94 3n55 s TYR 48 N 1.06 2.99 -0.21 4.92 2.02 0.26 -1.17 117.35 127.21 3n55 s TYR 48 Ca 0.02 -0.65 -0.06 0.00 -0.37 0.00 0.00 57.07 56.01 3n55 s TYR 48 Cb -0.14 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3n55 s TYR 48 CO 0.02 -0.36 0.02 -1.17 -1.57 0.00 0.00 175.55 172.49 3n55 s LEU 49 N 1.14 3.31 -0.10 -1.29 2.96 -0.36 -1.90 118.68 122.45 3n55 s LEU 49 Ca 0.02 -0.20 -0.30 0.00 -0.22 0.00 0.00 54.13 53.44 3n55 s LEU 49 Cb -0.15 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3n55 s LEU 49 CO 0.00 0.04 1.06 -0.22 -1.32 0.00 0.00 176.35 175.92 3n55 s LEU 50 N 1.14 4.25 -0.50 -0.68 2.96 -1.26 -0.03 118.68 124.56 3n55 s LEU 50 Ca 0.03 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 3n55 s LEU 50 Cb -0.14 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.12 3n55 s LEU 50 CO 0.02 -0.49 0.24 0.21 -1.32 0.00 0.00 176.35 175.01 3n55 s ASN 51 N 1.21 4.48 -0.45 3.68 2.47 0.59 -4.92 114.94 121.99 3n55 s ASN 51 Ca 0.50 -2.85 -0.25 0.00 0.42 0.00 0.00 52.86 50.69 3n55 s ASN 51 Cb -0.20 -1.66 0.03 0.00 -1.45 0.00 0.00 41.25 37.97 3n55 s ASN 51 CO 0.19 -0.27 0.88 -0.62 -3.72 0.00 0.00 177.10 173.56 3n55 s ASP 52 N 0.02 6.49 -0.22 -4.21 2.15 -1.26 -1.41 116.67 118.22 3n55 s ASP 52 Ca 0.16 0.10 0.14 0.00 0.43 0.00 0.00 52.55 53.38 3n55 s ASP 52 Cb -0.24 -2.43 0.52 0.00 -0.30 0.00 0.00 42.92 40.46 3n55 s ASP 52 CO -0.02 -0.99 1.44 0.00 -0.17 0.00 0.00 175.17 175.43 3n55 n GLN 53 N 7.00 2.45 0.05 4.34 6.02 0.72 -4.68 117.38 133.28 3n55 n GLN 53 Ca 0.05 -2.96 0.11 0.00 -0.01 0.00 0.00 57.00 54.20 3n55 n GLN 53 Cb 0.48 -1.83 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 3n55 n GLN 53 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3n55 n THR 54 N -0.79 0.30 -1.31 5.09 -2.24 -1.20 -4.55 114.28 109.58 3n55 n THR 54 Ca 0.26 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 3n55 n THR 54 Cb 0.95 -0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3n55 n THR 54 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3n55 n LEU 55 N -2.25 -0.47 -1.17 3.22 4.77 -1.26 -4.88 117.00 114.96 3n55 n LEU 55 Ca 0.00 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.33 3n55 n LEU 55 Cb 0.49 -2.35 0.28 0.00 -2.33 0.00 0.00 43.42 39.51 3n55 n LEU 55 CO 0.41 -0.88 0.74 0.29 -1.33 0.00 0.00 177.39 176.62 3n55 n LYS 56 N -1.43 3.32 -3.42 3.23 4.76 -1.26 -4.98 118.16 118.38 3n55 n LYS 56 Ca -0.11 -2.66 -0.20 0.00 -2.87 0.00 0.00 58.31 52.47 3n55 n LYS 56 Cb 0.51 -1.72 0.07 0.00 -1.84 0.00 0.00 35.03 32.05 3n55 n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3n55 n GLY 57 N 0.57 -0.31 3.77 0.72 0.00 -1.26 -0.83 105.19 107.85 3n55 n GLY 57 Ca 0.21 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 3n55 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n55 s LEU 58 N -6.31 4.33 -0.02 0.99 1.43 -1.26 -3.71 118.68 114.13 3n55 s LEU 58 Ca 0.49 2.64 -0.01 0.00 -1.03 0.00 0.00 54.13 56.22 3n55 s LEU 58 Cb -0.22 -3.77 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3n55 s LEU 58 CO 0.61 -0.65 0.05 -0.54 0.23 0.00 0.00 176.35 176.05 3n55 s LYS 59 N -1.99 0.03 0.36 1.70 1.02 -0.80 -4.96 119.74 115.10 3n55 s LYS 59 Ca 0.52 0.12 -0.28 0.00 0.02 0.00 0.00 55.97 56.35 3n55 s LYS 59 Cb -0.38 -0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 36.76 3n55 s LYS 59 CO 0.50 -0.06 1.38 -0.06 -0.92 0.00 0.00 175.35 176.19 3n55 s PHE 60 N 0.38 2.84 -0.06 3.18 0.08 0.12 -0.93 117.98 123.59 3n55 s PHE 60 Ca -0.03 1.32 0.01 0.00 0.12 0.00 0.00 56.93 58.35 3n55 s PHE 60 Cb -0.04 -3.82 -0.01 0.00 -0.57 0.00 0.00 43.02 38.58 3n55 s PHE 60 CO -0.01 -2.33 0.08 1.33 -0.10 0.00 0.00 175.22 174.19 3n55 n VAL 61 N 0.61 0.00 -2.68 -0.44 0.24 0.11 -4.50 118.33 111.66 3n55 n VAL 61 Ca 0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3n55 n VAL 61 Cb 0.41 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 3n55 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3n55 n GLY 62 N 0.96 -1.83 3.00 7.63 0.00 -1.15 -5.02 105.19 108.78 3n55 n GLY 62 Ca 0.00 -1.23 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 3n55 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n55 s VAL 63 N -2.68 1.20 0.08 1.61 1.01 -1.26 -1.66 120.40 118.69 3n55 s VAL 63 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3n55 s VAL 63 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3n55 s VAL 63 CO 0.00 0.38 0.03 -0.83 0.00 0.00 0.00 175.10 174.68 3n55 s GLY 64 N 1.07 1.96 -0.02 4.51 0.00 0.27 -4.96 107.32 110.15 3n55 s GLY 64 Ca -0.06 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.61 3n55 s GLY 64 CO -0.01 -1.03 -0.03 -1.36 0.00 0.00 0.00 173.10 170.67 3n55 s PHE 65 N -1.32 0.45 0.01 1.90 0.08 -1.26 -0.93 117.98 116.91 3n55 s PHE 65 Ca 0.27 -0.08 0.18 0.00 0.12 0.00 0.00 56.93 57.42 3n55 s PHE 65 Cb -0.12 -0.41 0.42 0.00 -0.57 0.00 0.00 43.02 42.34 3n55 s PHE 65 CO 0.19 -0.10 1.61 0.28 -0.10 0.00 0.00 175.22 177.10 3n55 h VAL 66 N 5.78 0.83 -2.20 -0.44 2.07 -2.00 -3.33 116.25 116.96 3n55 h VAL 66 Ca -0.36 -1.81 -0.59 0.00 0.82 0.00 0.00 66.70 64.76 3n55 h VAL 66 Cb 1.16 2.14 -0.42 0.00 -1.52 0.00 0.00 31.29 32.66 3n55 h VAL 66 CO 0.49 0.41 -0.63 0.35 0.02 0.00 0.00 177.57 178.21 3n55 n THR 67 N -3.36 2.39 0.47 2.57 -2.24 -1.26 -4.95 114.28 107.89 3n55 n THR 67 Ca 0.01 -5.25 0.09 0.00 -2.27 0.00 0.00 64.05 56.63 3n55 n THR 67 Cb 0.61 -1.92 0.39 0.00 -2.10 0.00 0.00 70.33 67.30 3n55 n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3n55 n PRO 68 N 0.62 0.08 -0.66 -0.78 -0.04 -1.25 -2.70 135.00 130.27 3n55 n PRO 68 Ca 0.30 0.31 0.08 0.00 -0.04 0.00 0.00 63.50 64.15 3n55 n PRO 68 Cb 0.41 -1.65 0.33 0.00 -0.04 0.00 0.00 33.50 32.56 3n55 n PRO 68 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3n55 n PHE 69 N -1.79 1.49 0.88 0.54 3.72 -1.26 -4.56 117.46 116.48 3n55 n PHE 69 Ca 0.03 -0.76 0.13 0.00 -0.05 0.00 0.00 57.45 56.80 3n55 n PHE 69 Cb 0.20 -0.38 0.49 0.00 -0.94 0.00 0.00 39.48 38.85 3n55 n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3n55 n ASP 70 N 0.24 0.31 0.00 4.37 5.68 -1.10 -4.93 116.55 121.12 3n55 n ASP 70 Ca 0.24 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 3n55 n ASP 70 Cb 1.01 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3n55 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n55 n GLY 71 N 1.44 0.78 0.06 6.12 0.00 -1.26 -4.92 105.19 107.40 3n55 n GLY 71 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3n55 n GLY 71 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3n55 h ILE 72 N 0.00 1.32 -3.36 -0.61 1.08 -1.92 -3.39 117.51 110.64 3n55 h ILE 72 Ca 0.00 -0.97 -0.61 0.00 -0.39 0.00 0.00 64.86 62.89 3n55 h ILE 72 Cb 0.03 1.95 -0.14 0.00 -3.07 0.00 0.00 36.82 35.59 3n55 h ILE 72 CO 0.00 0.26 -0.52 -0.63 -0.69 0.00 0.00 178.15 176.57 3n55 s ILE 73 N -4.58 5.18 -0.14 -0.67 -1.09 -1.26 -4.72 121.20 113.93 3n55 s ILE 73 Ca -0.15 0.11 0.19 0.00 -2.23 0.00 0.00 60.65 58.56 3n55 s ILE 73 Cb 0.03 -3.37 -0.16 0.00 -1.58 0.00 0.00 42.46 37.38 3n55 s ILE 73 CO 0.68 0.42 0.71 0.47 -1.23 0.00 0.00 174.94 175.99 3n55 n ASP 74 N 3.75 0.61 -3.45 3.58 8.00 -0.35 -4.96 116.55 123.72 3n55 n ASP 74 Ca -0.16 0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 3n55 n ASP 74 Cb 0.52 0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 42.22 3n55 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n55 s ALA 75 N -3.04 -1.51 -0.05 2.24 0.00 -1.14 -5.01 121.76 113.25 3n55 s ALA 75 Ca -0.04 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3n55 s ALA 75 Cb 0.09 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 3n55 s ALA 75 CO 0.83 -0.74 -0.18 0.08 0.00 0.00 0.00 175.76 175.75 3n55 s VAL 76 N -3.68 1.49 0.20 0.00 1.01 -1.26 -1.09 120.40 117.07 3n55 s VAL 76 Ca 0.01 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.34 3n55 s VAL 76 Cb -0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3n55 s VAL 76 CO -0.12 0.43 -0.21 0.42 0.00 0.00 0.00 175.10 175.61 3n55 s THR 77 N 0.04 2.18 -0.01 3.92 -4.23 -0.41 -4.98 115.64 112.16 3n55 s THR 77 Ca -0.04 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3n55 s THR 77 Cb -0.12 -2.06 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 3n55 s THR 77 CO 0.03 -0.24 0.04 -0.63 -0.54 0.00 0.00 174.62 173.28 3n55 s ILE 78 N -1.95 0.03 0.55 2.99 1.01 -1.26 -0.80 121.20 121.77 3n55 s ILE 78 Ca 0.21 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 3n55 s ILE 78 Cb -0.07 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 3n55 s ILE 78 CO 0.09 -0.13 0.96 -0.94 0.00 0.00 0.00 174.94 174.92 3n55 s SER 79 N -0.40 6.37 0.47 3.58 1.04 -0.59 -4.96 113.70 119.22 3n55 s SER 79 Ca -0.04 1.37 0.23 0.00 0.48 0.00 0.00 55.95 57.99 3n55 s SER 79 Cb -0.03 -2.44 1.18 0.00 0.10 0.00 0.00 66.02 64.83 3n55 s SER 79 CO -0.00 -0.71 1.97 0.77 0.98 0.00 0.00 173.24 176.25 3n55 h SER 80 N 0.26 0.00 -0.07 7.02 4.64 -1.99 -1.64 113.55 121.76 3n55 h SER 80 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3n55 h SER 80 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3n55 h SER 80 CO 0.62 0.19 0.00 -0.90 -0.87 0.00 0.00 176.83 175.87 3n55 n ASP 81 N -3.69 1.77 -2.26 4.97 5.68 -1.26 -5.15 116.55 116.60 3n55 n ASP 81 Ca -0.01 -1.62 -0.01 0.00 -0.50 0.00 0.00 54.79 52.65 3n55 n ASP 81 Cb 0.31 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3n55 n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n55 n GLY 82 N 1.19 -0.71 0.42 6.12 0.00 -0.62 -4.84 105.19 106.76 3n55 n GLY 82 Ca 0.18 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 3n55 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3n55 n LEU 84 N -1.44 -0.19 -4.12 0.99 4.32 -1.26 -0.71 117.00 114.58 3n55 n LEU 84 Ca -0.00 0.13 -0.18 0.00 -0.02 0.00 0.00 56.01 55.94 3n55 n LEU 84 Cb 0.50 -0.12 -0.13 0.00 -1.62 0.00 0.00 43.42 42.06 3n55 n LEU 84 CO 0.26 -0.40 -0.45 0.54 -1.22 0.00 0.00 177.39 176.12 3n55 s VAL 85 N -0.14 0.97 -0.01 4.08 0.11 -0.80 -1.54 120.40 123.08 3n55 s VAL 85 Ca 0.08 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.15 3n55 s VAL 85 Cb -0.11 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3n55 s VAL 85 CO 0.07 -0.10 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.48 3n55 s GLN 86 N -1.28 1.23 -0.15 1.54 -0.21 0.02 -0.57 119.66 120.23 3n55 s GLN 86 Ca -0.01 -0.58 -0.08 0.00 0.02 0.00 0.00 55.36 54.71 3n55 s GLN 86 Cb -0.08 -1.20 -0.04 0.00 1.00 0.00 0.00 33.01 32.69 3n55 s GLN 86 CO 0.01 0.33 0.11 -0.51 -2.12 0.00 0.00 175.29 173.11 3n55 s LEU 87 N -0.44 4.17 -0.16 2.90 1.43 0.40 -1.29 118.68 125.69 3n55 s LEU 87 Ca 0.06 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3n55 s LEU 87 Cb -0.06 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3n55 s LEU 87 CO -0.00 0.29 -0.08 -0.69 0.23 0.00 0.00 176.35 176.09 3n55 s VAL 88 N -0.32 3.33 -0.48 -1.59 1.01 -0.25 -1.31 120.40 120.79 3n55 s VAL 88 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3n55 s VAL 88 Cb -0.12 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 33.94 3n55 s VAL 88 CO 0.01 0.49 0.26 -0.62 0.00 0.00 0.00 175.10 175.24 3n55 s ASP 89 N 0.70 5.03 -0.13 3.32 3.68 -0.43 -1.21 116.67 127.63 3n55 s ASP 89 Ca -0.04 -2.45 -0.09 0.00 2.13 0.00 0.00 52.55 52.10 3n55 s ASP 89 Cb -0.15 -1.78 -0.25 0.00 -1.45 0.00 0.00 42.92 39.29 3n55 s ASP 89 CO 0.02 -0.42 0.34 0.18 0.13 0.00 0.00 175.17 175.42 3n55 n LEU 90 N 3.98 2.53 -0.03 -1.34 4.77 -1.26 -1.41 117.00 124.24 3n55 n LEU 90 Ca 0.03 0.24 0.04 0.00 -0.03 0.00 0.00 56.01 56.28 3n55 n LEU 90 Cb 0.39 -1.10 0.05 0.00 -2.33 0.00 0.00 43.42 40.43 3n55 n LEU 90 CO 0.32 0.78 0.51 -0.90 -1.33 0.00 0.00 177.39 176.76 3n55 n ASP 91 N -3.62 2.03 -3.71 -1.43 5.68 -1.26 -4.89 116.55 109.35 3n55 n ASP 91 Ca -0.32 -2.36 -0.23 0.00 -0.50 0.00 0.00 54.79 51.38 3n55 n ASP 91 Cb 1.00 -0.16 0.03 0.00 -1.14 0.00 0.00 41.12 40.85 3n55 n ASP 91 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3n55 n LYS 92 N -0.81 -3.88 -2.35 0.11 4.76 -1.26 -4.92 118.16 109.80 3n55 n LYS 92 Ca 0.06 0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 55.65 3n55 n LYS 92 Cb 0.41 -4.95 -0.03 0.00 -1.84 0.00 0.00 35.03 28.62 3n55 n LYS 92 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3n55 s THR 93 N -3.66 3.99 0.40 -0.18 2.01 -1.26 -4.99 115.64 111.95 3n55 s THR 93 Ca 0.11 1.35 -0.23 0.00 0.31 0.00 0.00 61.69 63.23 3n55 s THR 93 Cb -0.03 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 3n55 s THR 93 CO 0.83 0.01 0.99 -2.16 -0.69 0.00 0.00 174.62 173.59 3n55 s PRO 94 N 2.21 4.24 0.00 4.92 0.04 -1.26 -4.71 135.00 140.44 3n55 s PRO 94 Ca 0.60 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3n55 s PRO 94 Cb -0.28 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3n55 s PRO 94 CO 0.24 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.65 3n55 n GLY 95 N 0.03 0.87 3.04 0.56 0.00 -1.26 -4.97 105.19 103.46 3n55 n GLY 95 Ca 0.05 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.93 3n55 n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3n55 s THR 96 N -1.93 0.69 0.04 2.61 -1.32 -1.26 -5.05 115.64 109.42 3n55 s THR 96 Ca 0.00 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 3n55 s THR 96 Cb 0.00 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.33 3n55 s THR 96 CO 0.00 0.01 -0.05 0.28 -2.21 0.00 0.00 174.62 172.66 3n55 s THR 97 N -0.58 0.32 0.01 5.08 -1.32 -1.26 -5.02 115.64 112.87 3n55 s THR 97 Ca -0.00 -1.35 0.05 0.00 -1.21 0.00 0.00 61.69 59.18 3n55 s THR 97 Cb -0.05 -0.90 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 3n55 s THR 97 CO 0.00 -0.67 -0.12 -0.75 -2.21 0.00 0.00 174.62 170.87 3n55 s LYS 98 N -2.52 2.34 0.08 7.08 2.20 -1.26 -5.12 119.74 122.55 3n55 s LYS 98 Ca -0.04 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3n55 s LYS 98 Cb -0.03 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 3n55 s LYS 98 CO -0.04 0.58 0.05 -0.59 -0.36 0.00 0.00 175.35 174.99 3n55 s PHE 99 N -0.94 0.53 -0.04 4.03 -0.12 -1.26 -4.37 117.98 115.81 3n55 s PHE 99 Ca 0.15 -1.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.05 3n55 s PHE 99 Cb -0.11 -0.33 0.01 0.00 -0.63 0.00 0.00 43.02 41.96 3n55 s PHE 99 CO 0.06 -0.47 -0.10 -0.65 -0.05 0.00 0.00 175.22 174.01 3n55 s GLN 100 N -3.94 1.29 0.49 1.99 -0.21 -0.10 -4.92 119.66 114.25 3n55 s GLN 100 Ca 0.12 -0.34 -0.23 0.00 0.02 0.00 0.00 55.36 54.93 3n55 s GLN 100 Cb 0.07 -1.14 -0.06 0.00 1.00 0.00 0.00 33.01 32.88 3n55 s GLN 100 CO -0.07 0.07 1.25 -0.06 -2.12 0.00 0.00 175.29 174.36 3n55 s PHE 101 N 0.46 2.64 -0.14 0.91 0.08 -1.26 -0.56 117.98 120.12 3n55 s PHE 101 Ca -0.09 1.47 0.03 0.00 0.12 0.00 0.00 56.93 58.46 3n55 s PHE 101 Cb -0.12 -3.56 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 3n55 s PHE 101 CO 0.02 -2.08 -0.22 0.08 -0.10 0.00 0.00 175.22 172.92 3n55 s VAL 102 N -1.44 2.06 0.03 -0.44 1.01 -0.66 -2.15 120.40 118.80 3n55 s VAL 102 Ca 0.66 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3n55 s VAL 102 Cb -0.34 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3n55 s VAL 102 CO 0.41 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 175.19 3n55 s LEU 103 N 0.77 2.15 0.53 3.92 1.02 -0.04 -0.71 118.68 126.32 3n55 s LEU 103 Ca -0.08 -0.39 -0.05 0.00 0.02 0.00 0.00 54.13 53.62 3n55 s LEU 103 Cb -0.16 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.63 3n55 s LEU 103 CO -0.01 -0.02 0.84 -0.94 0.02 0.00 0.00 176.35 176.24 3n55 s SER 104 N -0.99 5.91 0.06 2.29 1.04 -0.11 -0.14 113.70 121.77 3n55 s SER 104 Ca -0.01 0.79 -0.02 0.00 0.48 0.00 0.00 55.95 57.19 3n55 s SER 104 Cb -0.07 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 3n55 s SER 104 CO 0.01 -0.82 -0.00 0.54 0.98 0.00 0.00 173.24 173.94 3n55 s ASN 105 N -4.21 0.44 0.00 7.02 2.20 -1.26 -1.91 114.94 117.22 3n55 s ASN 105 Ca 0.51 -0.99 0.26 0.00 -0.94 0.00 0.00 52.86 51.69 3n55 s ASN 105 Cb -0.10 0.22 0.58 0.00 -2.00 0.00 0.00 41.25 39.95 3n55 s ASN 105 CO 0.45 -0.62 1.47 0.35 -2.94 0.00 0.00 177.10 175.80 3n55 n THR 106 N 0.08 0.00 0.06 0.54 -2.24 -0.01 -4.25 114.28 108.46 3n55 n THR 106 Ca -0.13 -0.29 -0.16 0.00 -2.27 0.00 0.00 64.05 61.20 3n55 n THR 106 Cb 0.61 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 3n55 n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n55 h ALA 107 N 4.22 0.30 -2.94 6.98 0.00 -1.94 -3.49 119.26 122.40 3n55 h ALA 107 Ca 0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 54.91 53.63 3n55 h ALA 107 Cb 0.68 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 3n55 h ALA 107 CO 0.00 1.17 -0.04 0.54 0.00 0.00 0.00 179.25 180.92 3n55 s ASN 108 N -6.92 0.50 -0.09 0.00 2.20 -1.26 -5.07 114.94 104.31 3n55 s ASN 108 Ca -0.08 -1.30 0.20 0.00 -0.94 0.00 0.00 52.86 50.73 3n55 s ASN 108 Cb 0.07 0.71 0.72 0.00 -2.00 0.00 0.00 41.25 40.75 3n55 s ASN 108 CO 0.85 -1.39 1.63 0.35 -2.94 0.00 0.00 177.10 175.60 3n55 n THR 109 N -0.53 1.68 -2.92 0.54 -2.24 -1.26 -4.44 114.28 105.11 3n55 n THR 109 Ca -0.02 -1.15 -0.39 0.00 -2.27 0.00 0.00 64.05 60.21 3n55 n THR 109 Cb 0.61 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 3n55 n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n55 s LEU 110 N -1.67 4.59 0.42 3.22 1.02 -1.26 -5.05 118.68 119.95 3n55 s LEU 110 Ca 0.52 1.72 -0.21 0.00 0.02 0.00 0.00 54.13 56.18 3n55 s LEU 110 Cb 0.32 -3.41 -0.11 0.00 0.02 0.00 0.00 46.19 43.01 3n55 s LEU 110 CO 0.27 0.18 0.95 -0.76 0.02 0.00 0.00 176.35 177.01 3n55 s LEU 111 N -1.22 3.97 -0.18 1.79 1.43 -1.26 -4.40 118.68 118.80 3n55 s LEU 111 Ca 0.38 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 55.09 3n55 s LEU 111 Cb -0.23 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3n55 s LEU 111 CO 0.27 -0.34 0.13 -0.69 0.23 0.00 0.00 176.35 175.96 3n55 s VAL 112 N -2.13 5.42 0.00 -1.59 1.01 0.80 -4.94 120.40 118.98 3n55 s VAL 112 Ca 0.61 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.85 3n55 s VAL 112 Cb -0.10 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3n55 s VAL 112 CO 0.14 0.48 -0.22 -0.76 0.00 0.00 0.00 175.10 174.74 3n55 s LEU 113 N 0.07 2.34 0.72 3.92 1.43 -1.26 -0.86 118.68 125.04 3n55 s LEU 113 Ca 0.09 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3n55 s LEU 113 Cb -0.11 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.72 3n55 s LEU 113 CO -0.01 0.30 1.08 -0.94 0.23 0.00 0.00 176.35 177.01 3n55 s SER 114 N -0.95 5.00 0.60 2.29 1.04 -0.92 -4.97 113.70 115.80 3n55 s SER 114 Ca 0.12 1.75 -0.19 0.00 0.48 0.00 0.00 55.95 58.11 3n55 s SER 114 Cb -0.10 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 3n55 s SER 114 CO 0.01 -1.70 1.22 -2.65 0.98 0.00 0.00 173.24 171.10 3n55 n PRO 115 N -3.17 1.23 0.00 4.02 -0.02 -1.26 -4.69 135.00 131.12 3n55 n PRO 115 Ca 0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3n55 n PRO 115 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3n55 n PRO 115 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08