#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i29 n ASP 2 N 0.00 0.00 0.05 -2.24 2.03 -1.26 -5.10 116.55 110.03 3i29 n ASP 2 Ca 0.00 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.63 3i29 n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i29 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3i29 n ASP 3 N -1.26 0.68 -4.52 1.67 9.92 -1.26 -5.01 116.55 116.77 3i29 n ASP 3 Ca 0.00 0.15 -0.39 0.00 -0.53 0.00 0.00 54.79 54.01 3i29 n ASP 3 Cb 0.00 -0.16 -0.07 0.00 -0.64 0.00 0.00 41.12 40.24 3i29 n ASP 3 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3i29 n LEU 4 N -3.25 1.66 -4.08 0.64 4.32 -1.26 -4.92 117.00 110.11 3i29 n LEU 4 Ca 0.00 -0.17 -0.22 0.00 -0.02 0.00 0.00 56.01 55.60 3i29 n LEU 4 Cb 0.00 -1.34 -0.15 0.00 -1.62 0.00 0.00 43.42 40.31 3i29 n LEU 4 CO 0.00 -1.19 -0.46 -0.69 -1.22 0.00 0.00 177.39 173.82 3i29 s VAL 5 N 10.59 1.02 0.00 4.08 1.01 -1.26 -1.88 120.40 133.96 3i29 s VAL 5 Ca 1.12 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3i29 s VAL 5 Cb -0.60 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 34.92 3i29 s VAL 5 CO 0.36 0.29 0.00 -0.90 0.00 0.00 0.00 175.10 174.85 3i29 n ASP 6 N 2.84 0.00 -0.04 3.32 5.68 -0.95 -4.63 116.55 122.77 3i29 n ASP 6 Ca -0.15 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 53.96 3i29 n ASP 6 Cb 0.55 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.40 3i29 n ASP 6 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i29 h ALA 7 N -2.00 0.08 0.00 2.12 0.00 0.79 -3.35 119.26 116.91 3i29 h ALA 7 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3i29 h ALA 7 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i29 h ALA 7 CO 0.00 0.41 0.00 0.39 0.00 0.00 0.00 179.25 180.05 3i29 n GLU 8 N -4.34 0.47 -1.12 0.00 1.02 -1.26 -4.79 120.64 110.62 3i29 n GLU 8 Ca -0.19 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.91 3i29 n GLU 8 Cb 0.68 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 30.97 3i29 n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i29 n GLY 9 N 0.11 0.60 3.80 0.62 0.00 -1.26 -5.00 105.19 104.06 3i29 n GLY 9 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3i29 n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i29 s ASN 10 N -2.32 5.85 0.25 1.61 0.02 -1.26 -4.92 114.94 114.18 3i29 s ASN 10 Ca 0.00 0.24 -0.30 0.00 -1.02 0.00 0.00 52.86 51.78 3i29 s ASN 10 Cb 0.00 -1.75 -0.14 0.00 0.02 0.00 0.00 41.25 39.38 3i29 s ASN 10 CO 0.00 0.32 1.26 0.18 0.02 0.00 0.00 177.10 178.87 3i29 n LEU 11 N 1.47 2.59 -4.63 0.60 4.32 -1.26 -2.23 117.00 117.86 3i29 n LEU 11 Ca -0.15 1.16 -0.43 0.00 -0.02 0.00 0.00 56.01 56.57 3i29 n LEU 11 Cb 0.53 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 40.95 3i29 n LEU 11 CO 0.36 -0.84 1.08 -0.69 -1.22 0.00 0.00 177.39 176.08 3i29 s VAL 12 N -0.47 4.24 -0.03 4.08 1.01 -0.79 -4.81 120.40 123.64 3i29 s VAL 12 Ca 0.65 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 3i29 s VAL 12 Cb -0.69 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 3i29 s VAL 12 CO 0.54 -0.50 1.15 -0.70 0.00 0.00 0.00 175.10 175.59 3i29 s GLU 13 N 4.04 4.41 -0.02 2.72 2.12 -1.26 -3.81 118.70 126.89 3i29 s GLU 13 Ca 0.53 1.63 -0.30 0.00 0.36 0.00 0.00 54.97 57.19 3i29 s GLU 13 Cb -0.15 -3.50 -0.07 0.00 0.26 0.00 0.00 34.13 30.67 3i29 s GLU 13 CO 0.21 -0.34 1.86 1.21 -0.54 0.00 0.00 175.26 177.67 3i29 s ASN 14 N 1.28 6.46 0.00 -1.70 2.47 -0.38 -1.36 114.94 121.70 3i29 s ASN 14 Ca 0.55 2.44 0.00 0.00 0.42 0.00 0.00 52.86 56.27 3i29 s ASN 14 Cb -0.24 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 3i29 s ASN 14 CO 0.24 -1.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 3i29 n GLY 15 N 4.49 0.77 3.92 1.21 0.00 0.11 -4.95 105.19 110.73 3i29 n GLY 15 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3i29 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i29 s GLY 16 N -1.53 1.68 -0.15 -0.02 0.00 -0.47 -4.68 107.32 102.15 3i29 s GLY 16 Ca 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 3i29 s GLY 16 CO 0.00 -0.29 -0.02 -0.51 0.00 0.00 0.00 173.10 172.27 3i29 s THR 17 N -3.72 4.02 0.04 0.90 -4.23 -1.26 -2.37 115.64 109.01 3i29 s THR 17 Ca 0.68 -0.32 -0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3i29 s THR 17 Cb -0.08 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 3i29 s THR 17 CO 0.51 0.50 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.75 3i29 s TYR 18 N 0.20 0.43 0.01 3.99 1.51 0.34 -0.80 117.35 123.03 3i29 s TYR 18 Ca -0.01 -0.78 -0.16 0.00 -1.01 0.00 0.00 57.07 55.11 3i29 s TYR 18 Cb -0.14 -0.31 -0.06 0.00 -0.11 0.00 0.00 41.96 41.35 3i29 s TYR 18 CO 0.03 -0.26 0.44 0.71 -1.11 0.00 0.00 175.55 175.35 3i29 s TYR 19 N -2.64 3.74 -0.41 2.71 2.02 -0.18 -0.27 117.35 122.32 3i29 s TYR 19 Ca -0.04 1.05 -0.07 0.00 -0.37 0.00 0.00 57.07 57.64 3i29 s TYR 19 Cb -0.01 -2.34 0.09 0.00 -0.40 0.00 0.00 41.96 39.30 3i29 s TYR 19 CO -0.05 0.62 0.23 -0.51 -1.57 0.00 0.00 175.55 174.27 3i29 s LEU 20 N -1.03 5.13 0.29 -1.29 1.02 -1.26 -1.93 118.68 119.61 3i29 s LEU 20 Ca 0.25 -1.69 0.08 0.00 0.02 0.00 0.00 54.13 52.79 3i29 s LEU 20 Cb -0.17 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 3i29 s LEU 20 CO 0.14 -0.53 0.13 -0.76 0.02 0.00 0.00 176.35 175.35 3i29 s LEU 21 N 1.31 3.45 0.86 1.79 1.43 -0.85 -2.94 118.68 123.73 3i29 s LEU 21 Ca 0.04 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 3i29 s LEU 21 Cb -0.23 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 44.13 3i29 s LEU 21 CO -0.01 -0.13 1.18 -2.16 0.23 0.00 0.00 176.35 175.47 3i29 s PRO 22 N -3.81 1.54 -0.13 1.29 0.04 -1.26 -0.67 135.00 132.01 3i29 s PRO 22 Ca 0.34 0.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 3i29 s PRO 22 Cb -0.06 -1.90 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 3i29 s PRO 22 CO 0.23 -1.89 0.79 1.25 0.04 0.00 0.00 177.00 177.42 3i29 h HIS 23 N -1.27 -0.00 -3.58 0.56 2.76 -1.89 -3.41 115.15 108.33 3i29 h HIS 23 Ca -0.47 -0.00 -0.63 0.00 -2.20 0.00 0.00 60.37 57.07 3i29 h HIS 23 Cb 1.32 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.15 3i29 h HIS 23 CO 0.10 0.90 0.03 0.42 -1.30 0.00 0.00 177.93 178.07 3i29 s ILE 24 N -2.41 5.01 -1.09 6.26 1.09 -1.26 -4.97 121.20 123.82 3i29 s ILE 24 Ca -0.18 0.70 -0.20 0.00 -1.10 0.00 0.00 60.65 59.87 3i29 s ILE 24 Cb -0.02 -3.92 -0.07 0.00 -1.06 0.00 0.00 42.46 37.38 3i29 s ILE 24 CO 0.66 -0.08 1.94 0.79 -0.10 0.00 0.00 174.94 178.15 3i29 n TRP 25 N 5.72 2.82 -0.96 3.97 7.02 -1.26 -2.73 117.44 132.01 3i29 n TRP 25 Ca -0.03 -2.03 0.00 0.00 -1.02 0.00 0.00 57.50 54.42 3i29 n TRP 25 Cb 0.49 -2.27 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 3i29 n TRP 25 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i29 n ALA 26 N 9.64 0.00 0.45 6.99 0.00 -1.26 -4.93 120.51 131.40 3i29 n ALA 26 Ca 0.48 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.03 3i29 n ALA 26 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 3i29 n ALA 26 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i29 n HIS 27 N 0.00 0.21 -0.29 0.00 8.25 -1.10 -5.08 115.22 117.21 3i29 n HIS 27 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3i29 n HIS 27 Cb 0.05 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 30.74 3i29 n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i29 n GLY 28 N 1.35 0.47 0.00 -1.41 0.00 -1.26 -5.02 105.19 99.31 3i29 n GLY 28 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3i29 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i29 n GLY 29 N -1.04 1.87 1.73 -0.02 0.00 0.18 -4.56 105.19 103.35 3i29 n GLY 29 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 3i29 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i29 n GLY 30 N 5.00 -1.89 3.88 -0.02 0.00 0.30 -4.28 105.19 108.18 3i29 n GLY 30 Ca 0.00 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3i29 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i29 s ILE 31 N -2.17 4.87 0.30 -0.61 -1.09 -1.15 0.12 121.20 121.46 3i29 s ILE 31 Ca 0.34 0.51 -0.19 0.00 -2.23 0.00 0.00 60.65 59.09 3i29 s ILE 31 Cb -0.02 -3.67 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 3i29 s ILE 31 CO 0.25 -0.25 0.86 -1.83 -1.23 0.00 0.00 174.94 172.74 3i29 s GLU 32 N -3.25 1.85 0.42 2.79 -1.05 -0.02 0.16 118.70 119.60 3i29 s GLU 32 Ca 0.49 -1.16 0.07 0.00 -0.15 0.00 0.00 54.97 54.22 3i29 s GLU 32 Cb -0.11 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 3i29 s GLU 32 CO 0.25 -0.86 0.57 0.95 0.95 0.00 0.00 175.26 177.12 3i29 s THR 33 N -2.58 3.17 -0.02 1.83 -4.23 -1.26 -0.97 115.64 111.58 3i29 s THR 33 Ca 0.16 -0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 3i29 s THR 33 Cb -0.04 -3.08 0.08 0.00 1.34 0.00 0.00 72.50 70.80 3i29 s THR 33 CO 0.08 -0.03 0.73 0.00 -0.54 0.00 0.00 174.62 174.86 3i29 s ALA 34 N -2.36 -1.76 -0.43 3.99 0.00 0.90 -4.81 121.76 117.28 3i29 s ALA 34 Ca 0.53 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.48 3i29 s ALA 34 Cb -0.10 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3i29 s ALA 34 CO 0.33 -0.47 0.46 0.21 0.00 0.00 0.00 175.76 176.29 3i29 s LYS 35 N -1.89 3.10 0.16 0.00 2.20 -1.26 -1.50 119.74 120.54 3i29 s LYS 35 Ca -0.06 -0.78 0.11 0.00 -0.36 0.00 0.00 55.97 54.88 3i29 s LYS 35 Cb -0.00 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 3i29 s LYS 35 CO 0.02 -0.90 -0.25 0.95 -0.36 0.00 0.00 175.35 174.82 3i29 s THR 36 N 2.18 2.24 0.00 3.43 -4.23 -1.26 -4.99 115.64 113.01 3i29 s THR 36 Ca 0.12 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3i29 s THR 36 Cb -0.17 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3i29 s THR 36 CO 0.13 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3i29 n GLY 37 N 0.61 3.32 2.51 3.99 0.00 -1.26 -2.92 105.19 111.44 3i29 n GLY 37 Ca -0.15 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3i29 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i29 n ASN 38 N 3.71 7.24 -4.86 1.61 4.13 -1.26 -4.99 115.26 120.84 3i29 n ASN 38 Ca 0.00 -3.80 -0.35 0.00 1.68 0.00 0.00 54.58 52.11 3i29 n ASN 38 Cb 0.00 -0.92 -0.06 0.00 -1.54 0.00 0.00 39.78 37.26 3i29 n ASN 38 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3i29 s GLU 39 N -3.88 3.88 0.00 3.52 2.02 -1.15 -4.99 118.70 118.11 3i29 s GLU 39 Ca 0.58 0.35 0.29 0.00 0.02 0.00 0.00 54.97 56.22 3i29 s GLU 39 Cb 0.47 -2.93 1.63 0.00 0.10 0.00 0.00 34.13 33.40 3i29 s GLU 39 CO -0.15 0.49 2.05 -0.35 0.02 0.00 0.00 175.26 177.32 3i29 n PRO 40 N 0.74 0.70 -3.07 0.39 -0.04 -1.26 -4.87 135.00 127.58 3i29 n PRO 40 Ca -0.06 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 3i29 n PRO 40 Cb 0.52 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 3i29 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i29 s PRO 42 N -2.01 2.88 0.00 0.00 0.02 -1.26 -4.48 135.00 130.14 3i29 s PRO 42 Ca 0.17 -0.08 0.02 0.00 0.02 0.00 0.00 61.00 61.13 3i29 s PRO 42 Cb -0.01 -4.67 0.04 0.00 0.02 0.00 0.00 34.50 29.88 3i29 s PRO 42 CO 0.00 -2.70 0.87 1.28 -0.33 0.00 0.00 177.00 176.13 3i29 n LEU 43 N 11.76 1.81 -4.51 -5.54 4.77 -1.14 -4.64 117.00 119.52 3i29 n LEU 43 Ca 0.24 -1.63 -0.34 0.00 -0.03 0.00 0.00 56.01 54.25 3i29 n LEU 43 Cb 0.50 -0.03 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 3i29 n LEU 43 CO 0.67 0.44 -0.35 -0.89 -1.33 0.00 0.00 177.39 175.94 3i29 s THR 44 N -0.70 3.93 -0.28 -5.08 2.01 -0.56 -0.86 115.64 114.09 3i29 s THR 44 Ca 0.04 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.49 3i29 s THR 44 Cb 0.02 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 3i29 s THR 44 CO 0.03 0.50 0.63 -0.69 -0.69 0.00 0.00 174.62 174.40 3i29 s VAL 45 N 0.28 4.95 0.30 3.82 1.01 -1.07 -0.07 120.40 129.62 3i29 s VAL 45 Ca -0.03 0.99 0.04 0.00 0.00 0.00 0.00 61.98 62.98 3i29 s VAL 45 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3i29 s VAL 45 CO 0.03 -0.07 0.18 0.68 0.00 0.00 0.00 175.10 175.92 3i29 s VAL 46 N 2.58 0.23 0.14 2.92 -7.23 -0.15 -1.09 120.40 117.80 3i29 s VAL 46 Ca 0.26 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 3i29 s VAL 46 Cb -0.15 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.22 3i29 s VAL 46 CO 0.10 0.00 0.55 -0.13 -0.31 0.00 0.00 175.10 175.31 3i29 s ARG 47 N -3.78 3.98 0.23 4.82 0.52 -0.43 -0.84 118.95 123.45 3i29 s ARG 47 Ca 0.37 0.49 -0.32 0.00 -0.52 0.00 0.00 55.73 55.75 3i29 s ARG 47 Cb 0.05 -2.94 -0.13 0.00 0.52 0.00 0.00 34.95 32.44 3i29 s ARG 47 CO 0.19 0.49 1.57 0.45 0.02 0.00 0.00 175.30 178.01 3i29 n SER 48 N 0.84 3.39 0.30 0.23 2.88 0.31 -4.46 113.62 117.12 3i29 n SER 48 Ca -0.06 1.11 0.16 0.00 -1.33 0.00 0.00 58.87 58.76 3i29 n SER 48 Cb 0.52 -1.50 0.92 0.00 -0.75 0.00 0.00 64.21 63.39 3i29 n SER 48 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i29 h PRO 49 N 5.33 0.00 -7.32 -1.46 0.13 -1.95 -2.71 132.00 124.02 3i29 h PRO 49 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 3i29 h PRO 49 Cb 1.24 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.47 3i29 h PRO 49 CO 0.84 0.04 0.37 1.21 -0.23 0.00 0.00 178.00 180.22 3i29 s ASN 50 N -5.92 5.36 0.00 1.44 3.84 -1.26 -4.79 114.94 113.61 3i29 s ASN 50 Ca -0.04 1.65 0.05 0.00 0.21 0.00 0.00 52.86 54.73 3i29 s ASN 50 Cb 0.14 -2.50 0.05 0.00 -0.55 0.00 0.00 41.25 38.38 3i29 s ASN 50 CO 0.53 -1.46 0.69 1.21 -2.79 0.00 0.00 177.10 175.28 3i29 n GLU 51 N -3.05 -0.11 0.00 0.43 2.13 -1.26 0.48 120.64 119.26 3i29 n GLU 51 Ca 0.08 -0.86 0.00 0.00 0.66 0.00 0.00 57.16 57.04 3i29 n GLU 51 Cb 0.53 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.14 3i29 n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i29 n VAL 52 N 0.28 0.14 -2.77 6.31 0.31 -1.26 -4.45 118.33 116.90 3i29 n VAL 52 Ca 0.03 -0.49 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 3i29 n VAL 52 Cb 0.14 1.07 -0.03 0.00 -0.91 0.00 0.00 33.84 34.11 3i29 n VAL 52 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i29 s SER 53 N -0.14 7.07 0.16 4.52 0.15 -1.26 -4.89 113.70 119.31 3i29 s SER 53 Ca 0.00 1.33 0.15 0.00 0.70 0.00 0.00 55.95 58.13 3i29 s SER 53 Cb 0.00 -2.51 0.72 0.00 -1.71 0.00 0.00 66.02 62.53 3i29 s SER 53 CO 0.00 -0.49 1.47 0.29 1.20 0.00 0.00 173.24 175.71 3i29 n LYS 54 N 5.48 0.09 0.00 5.44 5.02 -1.26 0.11 118.16 133.04 3i29 n LYS 54 Ca 0.08 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3i29 n LYS 54 Cb 0.48 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3i29 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i29 n GLY 55 N -0.78 -0.21 3.84 0.72 0.00 -1.26 -4.02 105.19 103.48 3i29 n GLY 55 Ca 0.01 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3i29 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i29 s GLU 56 N 0.00 3.29 0.06 1.61 2.56 0.43 -4.89 118.70 121.76 3i29 s GLU 56 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 54.97 54.35 3i29 s GLU 56 Cb 0.00 -3.03 -0.08 0.00 2.00 0.00 0.00 34.13 33.02 3i29 s GLU 56 CO 0.00 0.70 1.57 -2.14 -0.56 0.00 0.00 175.26 174.83 3i29 s PRO 57 N -1.50 4.23 -0.10 4.30 0.02 -1.26 -4.61 135.00 136.08 3i29 s PRO 57 Ca 0.21 2.22 0.04 0.00 0.02 0.00 0.00 61.00 63.49 3i29 s PRO 57 Cb -0.12 -3.55 -0.00 0.00 0.02 0.00 0.00 34.50 30.85 3i29 s PRO 57 CO 0.11 -0.67 -0.23 0.42 -0.33 0.00 0.00 177.00 176.30 3i29 s ILE 58 N 2.41 2.16 0.14 2.83 1.01 0.63 -0.53 121.20 129.85 3i29 s ILE 58 Ca 0.70 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 3i29 s ILE 58 Cb -0.38 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 3i29 s ILE 58 CO 0.30 0.56 0.65 -0.13 0.00 0.00 0.00 174.94 176.32 3i29 s ARG 59 N 0.32 4.27 -0.17 2.79 0.52 0.61 0.12 118.95 127.42 3i29 s ARG 59 Ca -0.18 0.83 0.01 0.00 -0.52 0.00 0.00 55.73 55.87 3i29 s ARG 59 Cb -0.18 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.21 3i29 s ARG 59 CO 0.09 0.54 -0.14 0.42 0.02 0.00 0.00 175.30 176.23 3i29 s ILE 60 N -1.27 1.71 0.09 1.52 1.01 -1.00 -1.67 121.20 121.59 3i29 s ILE 60 Ca 0.35 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.25 3i29 s ILE 60 Cb -0.19 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3i29 s ILE 60 CO 0.21 0.39 -0.17 -0.55 0.00 0.00 0.00 174.94 174.83 3i29 s SER 61 N 1.41 2.06 0.11 3.58 0.15 -0.84 0.09 113.70 120.27 3i29 s SER 61 Ca 0.03 -0.68 0.07 0.00 0.70 0.00 0.00 55.95 56.07 3i29 s SER 61 Cb -0.14 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3i29 s SER 61 CO -0.10 -0.04 -0.17 -0.55 1.20 0.00 0.00 173.24 173.57 3i29 s SER 62 N -1.96 2.25 0.32 5.45 0.15 -1.26 -1.13 113.70 117.52 3i29 s SER 62 Ca 0.03 -0.73 0.03 0.00 0.70 0.00 0.00 55.95 55.98 3i29 s SER 62 Cb -0.09 -0.11 0.54 0.00 -1.71 0.00 0.00 66.02 64.66 3i29 s SER 62 CO 0.03 -0.03 1.87 1.56 1.20 0.00 0.00 173.24 177.87 3i29 h GLN 63 N 3.86 0.64 -6.76 5.44 1.08 -2.01 -3.44 115.11 113.92 3i29 h GLN 63 Ca -0.43 -0.13 -0.57 0.00 -1.45 0.00 0.00 58.65 56.08 3i29 h GLN 63 Cb 1.19 -0.10 0.12 0.00 -0.05 0.00 0.00 27.48 28.65 3i29 h GLN 63 CO 0.44 0.61 0.40 0.66 -0.95 0.00 0.00 178.83 179.99 3i29 n TYR 64 N -4.29 1.89 -1.47 2.96 4.02 -1.26 -4.90 117.16 114.11 3i29 n TYR 64 Ca 0.02 0.53 -0.30 0.00 -0.01 0.00 0.00 57.90 58.14 3i29 n TYR 64 Cb 0.23 -2.34 0.02 0.00 -0.02 0.00 0.00 39.34 37.22 3i29 n TYR 64 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3i29 n ARG 65 N 0.14 2.45 -4.01 -0.72 1.74 -1.26 -4.93 116.66 110.06 3i29 n ARG 65 Ca 0.07 -2.73 -0.23 0.00 -0.77 0.00 0.00 57.85 54.19 3i29 n ARG 65 Cb 0.39 -2.11 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 3i29 n ARG 65 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i29 s SER 66 N -0.53 6.04 0.47 0.55 1.04 -1.26 -5.00 113.70 115.01 3i29 s SER 66 Ca 0.53 -0.02 0.20 0.00 0.48 0.00 0.00 55.95 57.15 3i29 s SER 66 Cb 0.40 -1.71 1.18 0.00 0.10 0.00 0.00 66.02 65.99 3i29 s SER 66 CO -0.20 -0.03 2.01 -0.07 0.98 0.00 0.00 173.24 175.93 3i29 h LEU 67 N 1.52 0.00 -9.70 2.42 3.38 -1.94 -3.43 115.31 107.56 3i29 h LEU 67 Ca -0.50 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.86 3i29 h LEU 67 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 3i29 h LEU 67 CO 0.62 0.18 -0.52 -0.36 0.09 0.00 0.00 178.44 178.45 3i29 s PHE 68 N -4.37 1.87 -0.36 1.13 0.08 -1.26 -1.25 117.98 113.82 3i29 s PHE 68 Ca -0.03 -1.10 -0.22 0.00 0.12 0.00 0.00 56.93 55.70 3i29 s PHE 68 Cb 0.14 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3i29 s PHE 68 CO 0.65 -0.02 0.72 0.42 -0.10 0.00 0.00 175.22 176.89 3i29 s ILE 69 N -3.05 4.80 0.40 0.64 1.09 -1.25 -4.67 121.20 119.17 3i29 s ILE 69 Ca 0.17 0.74 -0.27 0.00 -1.10 0.00 0.00 60.65 60.19 3i29 s ILE 69 Cb 0.03 -4.15 -0.09 0.00 -1.06 0.00 0.00 42.46 37.19 3i29 s ILE 69 CO 0.10 -0.38 1.36 -2.84 -0.10 0.00 0.00 174.94 173.08 3i29 s PRO 70 N 2.92 3.98 0.46 2.79 0.02 -1.26 -4.67 135.00 139.24 3i29 s PRO 70 Ca 0.28 2.29 -0.25 0.00 0.02 0.00 0.00 61.00 63.35 3i29 s PRO 70 Cb -0.14 -2.82 -0.08 0.00 0.02 0.00 0.00 34.50 31.48 3i29 s PRO 70 CO 0.16 -0.53 1.37 0.54 -0.33 0.00 0.00 177.00 178.21 3i29 n ARG 71 N 0.21 2.07 -0.86 5.54 1.74 -1.26 -1.60 116.66 122.50 3i29 n ARG 71 Ca 0.03 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3i29 n ARG 71 Cb 0.42 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 3i29 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i29 n GLY 72 N 0.68 0.68 3.76 -0.13 0.00 -1.26 -4.99 105.19 103.93 3i29 n GLY 72 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3i29 n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i29 s SER 73 N -2.67 7.53 0.36 1.61 0.15 -0.63 -5.03 113.70 115.03 3i29 s SER 73 Ca 0.00 1.91 -0.24 0.00 0.70 0.00 0.00 55.95 58.32 3i29 s SER 73 Cb 0.00 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 3i29 s SER 73 CO 0.00 0.08 0.97 -0.76 1.20 0.00 0.00 173.24 174.73 3i29 s LEU 74 N -1.49 4.21 0.18 3.45 1.43 -1.26 -4.71 118.68 120.48 3i29 s LEU 74 Ca 0.44 1.86 0.03 0.00 -1.03 0.00 0.00 54.13 55.43 3i29 s LEU 74 Cb -0.23 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3i29 s LEU 74 CO 0.29 -0.24 -0.02 0.68 0.23 0.00 0.00 176.35 177.30 3i29 s VAL 75 N -1.74 0.83 0.07 -1.59 -7.23 -0.64 -4.50 120.40 105.59 3i29 s VAL 75 Ca 0.55 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.78 3i29 s VAL 75 Cb -0.18 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3i29 s VAL 75 CO 0.23 -0.49 -0.13 0.00 -0.31 0.00 0.00 175.10 174.39 3i29 s ALA 76 N -3.56 2.81 -0.12 1.32 0.00 -0.28 -2.57 121.76 119.36 3i29 s ALA 76 Ca 0.24 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3i29 s ALA 76 Cb 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3i29 s ALA 76 CO 0.04 0.61 -0.14 -0.51 0.00 0.00 0.00 175.76 175.76 3i29 s LEU 77 N -1.86 1.64 0.11 0.00 1.43 -1.26 -1.98 118.68 116.75 3i29 s LEU 77 Ca 0.18 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3i29 s LEU 77 Cb -0.11 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 3i29 s LEU 77 CO 0.10 -0.02 -0.08 -0.83 0.23 0.00 0.00 176.35 175.75 3i29 s GLY 78 N 1.21 0.85 0.01 -3.19 0.00 -0.67 -0.90 107.32 104.62 3i29 s GLY 78 Ca -0.02 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.05 3i29 s GLY 78 CO -0.05 -1.44 1.08 -1.36 0.00 0.00 0.00 173.10 171.33 3i29 s PHE 79 N -3.31 3.52 0.28 1.90 0.08 -0.34 -0.28 117.98 119.83 3i29 s PHE 79 Ca 0.11 1.50 -0.03 0.00 0.12 0.00 0.00 56.93 58.63 3i29 s PHE 79 Cb 0.03 -3.26 0.39 0.00 -0.57 0.00 0.00 43.02 39.61 3i29 s PHE 79 CO -0.03 -0.61 1.94 0.00 -0.10 0.00 0.00 175.22 176.42 3i29 h ALA 80 N 6.90 1.35 -3.15 5.36 0.00 -1.15 -3.30 119.26 125.27 3i29 h ALA 80 Ca -0.40 -0.08 -0.70 0.00 0.00 0.00 0.00 54.91 53.74 3i29 h ALA 80 Cb 1.21 -0.34 -0.35 0.00 0.00 0.00 0.00 17.79 18.31 3i29 h ALA 80 CO 0.79 0.57 -0.39 -0.80 0.00 0.00 0.00 179.25 179.43 3i29 s ASN 81 N -6.30 5.27 0.81 0.00 0.01 -1.26 -5.05 114.94 108.42 3i29 s ASN 81 Ca -0.12 -2.70 -0.14 0.00 -0.71 0.00 0.00 52.86 49.20 3i29 s ASN 81 Cb 0.18 -1.86 0.05 0.00 0.41 0.00 0.00 41.25 40.03 3i29 s ASN 81 CO 0.80 -0.41 0.96 -0.81 -1.51 0.00 0.00 177.10 176.13 3i29 n PRO 82 N 3.70 0.13 -0.12 -0.60 -0.04 -1.24 -5.02 135.00 131.81 3i29 n PRO 82 Ca 0.06 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3i29 n PRO 82 Cb 0.39 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3i29 n PRO 82 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i29 n PRO 83 N -2.56 1.13 0.00 0.54 -0.04 -1.26 -5.05 135.00 127.76 3i29 n PRO 83 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3i29 n PRO 83 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 3i29 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i29 n SER 84 N -1.12 0.00 0.20 3.54 2.88 -1.26 -4.21 113.62 113.64 3i29 n SER 84 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3i29 n SER 84 Cb 0.00 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 64.10 3i29 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i29 n ALA 86 N -1.89 1.38 1.44 0.00 0.00 -1.26 -4.64 120.51 115.54 3i29 n ALA 86 Ca 0.01 0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.91 3i29 n ALA 86 Cb 0.20 -2.51 0.76 0.00 0.00 0.00 0.00 19.45 17.91 3i29 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i29 n ALA 87 N 5.74 2.48 -3.44 0.00 0.00 -0.55 -4.76 120.51 119.98 3i29 n ALA 87 Ca 0.20 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 3i29 n ALA 87 Cb 0.32 -1.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.21 3i29 n ALA 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i29 s SER 88 N -2.55 -0.54 0.05 0.00 0.15 -1.26 -4.79 113.70 104.77 3i29 s SER 88 Ca 0.29 0.76 0.28 0.00 0.70 0.00 0.00 55.95 57.98 3i29 s SER 88 Cb 0.20 0.75 1.10 0.00 -1.71 0.00 0.00 66.02 66.36 3i29 s SER 88 CO 0.45 -0.41 1.86 -0.81 1.20 0.00 0.00 173.24 175.54 3i29 n PRO 89 N 1.73 0.06 -2.56 5.44 -0.04 -1.26 -4.67 135.00 133.71 3i29 n PRO 89 Ca -0.17 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 62.93 3i29 n PRO 89 Cb 0.56 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3i29 n PRO 89 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i29 s TRP 90 N -3.02 3.67 0.69 0.54 0.52 -1.26 -1.20 118.94 118.88 3i29 s TRP 90 Ca 0.13 1.70 -0.11 0.00 0.02 0.00 0.00 56.10 57.84 3i29 s TRP 90 Cb 0.17 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 3i29 s TRP 90 CO 0.56 -0.34 1.06 -1.58 0.02 0.00 0.00 176.95 176.66 3i29 s TRP 91 N -0.63 3.20 0.31 -1.98 0.51 -0.08 -4.54 118.94 115.73 3i29 s TRP 91 Ca 0.46 1.38 -0.13 0.00 -2.12 0.00 0.00 56.10 55.69 3i29 s TRP 91 Cb -0.29 -2.86 0.02 0.00 -0.81 0.00 0.00 33.47 29.52 3i29 s TRP 91 CO 0.36 -1.15 0.61 -0.08 -0.51 0.00 0.00 176.95 176.17 3i29 s THR 92 N -3.08 0.00 -0.21 2.01 -1.32 -0.71 -4.53 115.64 107.80 3i29 s THR 92 Ca 0.58 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.82 3i29 s THR 92 Cb -0.13 -2.42 0.04 0.00 -1.51 0.00 0.00 72.50 68.48 3i29 s THR 92 CO 0.55 0.00 -0.14 -0.69 -2.21 0.00 0.00 174.62 172.13 3i29 s VAL 93 N -3.37 1.93 0.08 5.08 1.01 -1.26 -1.57 120.40 122.29 3i29 s VAL 93 Ca 0.20 -1.15 0.09 0.00 0.00 0.00 0.00 61.98 61.12 3i29 s VAL 93 Cb -0.03 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3i29 s VAL 93 CO 0.11 0.25 -0.23 -0.69 0.00 0.00 0.00 175.10 174.54 3i29 s VAL 94 N 1.28 1.92 0.39 2.92 1.01 -0.96 -4.90 120.40 122.05 3i29 s VAL 94 Ca -0.01 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.24 3i29 s VAL 94 Cb -0.16 -1.69 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 3i29 s VAL 94 CO -0.09 0.14 1.28 -1.81 0.00 0.00 0.00 175.10 174.62 3i29 s ASP 95 N -1.59 6.46 0.16 3.32 1.11 -1.26 -1.43 116.67 123.44 3i29 s ASP 95 Ca 0.10 2.60 -0.05 0.00 0.18 0.00 0.00 52.55 55.38 3i29 s ASP 95 Cb -0.10 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.23 3i29 s ASP 95 CO 0.03 -0.74 0.18 -0.94 1.18 0.00 0.00 175.17 174.88 3i29 s SER 96 N -0.76 0.16 0.66 0.27 1.04 -1.12 -4.88 113.70 109.07 3i29 s SER 96 Ca 0.55 -1.11 0.27 0.00 0.48 0.00 0.00 55.95 56.13 3i29 s SER 96 Cb -0.37 0.38 1.45 0.00 0.10 0.00 0.00 66.02 67.58 3i29 s SER 96 CO 0.48 -0.84 1.82 -0.65 0.98 0.00 0.00 173.24 175.03 3i29 h PRO 97 N 2.66 0.00 0.00 4.02 0.11 -2.02 0.71 132.00 137.48 3i29 h PRO 97 Ca -0.33 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.50 3i29 h PRO 97 Cb 1.22 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3i29 h PRO 97 CO 0.52 0.00 -1.71 0.94 -0.21 0.00 0.00 178.00 177.54 3i29 n GLN 98 N -2.87 0.63 0.00 1.05 -0.06 -1.26 -5.09 117.38 109.78 3i29 n GLN 98 Ca -0.01 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 3i29 n GLN 98 Cb 0.46 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.87 3i29 n GLN 98 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i29 n GLY 99 N 1.54 1.13 3.70 1.69 0.00 0.25 -5.03 105.19 108.46 3i29 n GLY 99 Ca -0.17 -2.17 -0.59 0.00 0.00 0.00 0.00 46.02 43.09 3i29 n GLY 99 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i29 n PRO 100 N -1.36 0.88 -4.25 1.61 -0.02 -1.26 -2.80 135.00 127.80 3i29 n PRO 100 Ca 0.00 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 3i29 n PRO 100 Cb 0.00 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 3i29 n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i29 s ALA 101 N 2.98 1.07 -0.37 3.55 0.00 -0.52 -1.75 121.76 126.73 3i29 s ALA 101 Ca 0.98 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 3i29 s ALA 101 Cb -1.15 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 21.85 3i29 s ALA 101 CO 0.67 0.17 1.31 0.08 0.00 0.00 0.00 175.76 177.99 3i29 s VAL 102 N -1.01 4.08 0.35 0.00 1.01 -0.30 -2.28 120.40 122.25 3i29 s VAL 102 Ca -0.01 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.17 3i29 s VAL 102 Cb -0.08 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 3i29 s VAL 102 CO 0.01 -0.66 0.07 -0.54 0.00 0.00 0.00 175.10 173.98 3i29 s LYS 103 N 4.48 1.73 0.06 2.72 -0.14 -0.61 -2.60 119.74 125.38 3i29 s LYS 103 Ca 0.57 -1.99 0.04 0.00 -1.36 0.00 0.00 55.97 53.23 3i29 s LYS 103 Cb -0.14 -0.88 -0.04 0.00 -1.68 0.00 0.00 37.83 35.09 3i29 s LYS 103 CO 0.28 -0.24 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.09 3i29 s LEU 104 N -3.53 3.36 0.23 3.17 1.43 -0.04 -1.74 118.68 121.55 3i29 s LEU 104 Ca 0.33 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 3i29 s LEU 104 Cb 0.08 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3i29 s LEU 104 CO 0.15 0.22 0.08 -0.55 0.23 0.00 0.00 176.35 176.48 3i29 s SER 105 N -1.96 5.03 0.00 2.29 0.15 -1.26 -4.88 113.70 113.06 3i29 s SER 105 Ca 0.22 -0.40 0.22 0.00 0.70 0.00 0.00 55.95 56.69 3i29 s SER 105 Cb -0.11 -1.14 -0.05 0.00 -1.71 0.00 0.00 66.02 63.01 3i29 s SER 105 CO 0.14 0.02 1.04 0.00 1.20 0.00 0.00 173.24 175.64 3i29 n GLN 106 N -0.74 0.50 -3.76 5.44 6.02 -1.26 -1.49 117.38 122.09 3i29 n GLN 106 Ca -0.08 -0.40 -0.37 0.00 -0.01 0.00 0.00 57.00 56.14 3i29 n GLN 106 Cb 0.57 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.28 3i29 n GLN 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i29 s GLN 107 N -2.78 3.69 0.15 -1.09 -1.52 -1.26 -4.36 119.66 112.49 3i29 s GLN 107 Ca 0.13 -0.03 -0.31 0.00 -1.95 0.00 0.00 55.36 53.20 3i29 s GLN 107 Cb 0.17 -3.25 -0.10 0.00 -0.22 0.00 0.00 33.01 29.61 3i29 s GLN 107 CO 0.73 0.66 1.67 0.21 -0.25 0.00 0.00 175.29 178.30 3i29 s LYS 108 N -0.73 4.18 0.00 2.91 2.47 -1.26 -4.76 119.74 122.55 3i29 s LYS 108 Ca 0.16 2.45 0.00 0.00 -1.56 0.00 0.00 55.97 57.03 3i29 s LYS 108 Cb -0.13 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 32.90 3i29 s LYS 108 CO 0.05 -0.71 0.05 -0.51 0.16 0.00 0.00 175.35 174.39 3i29 s LEU 109 N 1.74 3.76 0.56 5.43 1.02 -1.26 -5.12 118.68 124.81 3i29 s LEU 109 Ca 0.74 0.08 -0.07 0.00 0.02 0.00 0.00 54.13 54.90 3i29 s LEU 109 Cb -0.45 -2.19 -0.02 0.00 0.02 0.00 0.00 46.19 43.55 3i29 s LEU 109 CO 0.32 0.27 0.88 -2.16 0.02 0.00 0.00 176.35 175.69 3i29 s PRO 110 N -1.71 3.28 0.22 1.29 0.04 -1.26 -4.97 135.00 131.89 3i29 s PRO 110 Ca 0.22 0.23 -0.14 0.00 0.04 0.00 0.00 61.00 61.34 3i29 s PRO 110 Cb -0.12 -2.27 0.26 0.00 0.04 0.00 0.00 34.50 32.41 3i29 s PRO 110 CO 0.13 -0.49 1.60 0.93 0.04 0.00 0.00 177.00 179.21 3i29 h GLU 111 N -0.06 -0.04 -1.05 4.56 3.07 -2.00 -1.30 114.58 117.76 3i29 h GLU 111 Ca -0.46 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 58.68 3i29 h GLU 111 Cb 1.22 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 29.06 3i29 h GLU 111 CO 0.61 -0.03 0.69 1.57 -1.40 0.00 0.00 179.01 180.45 3i29 h LYS 112 N -0.04 0.33 -0.00 2.33 2.10 -1.93 0.11 116.57 119.47 3i29 h LYS 112 Ca 0.33 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 3i29 h LYS 112 Cb 0.55 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3i29 h LYS 112 CO -0.75 0.22 -0.17 -0.25 -2.00 0.00 0.00 179.45 176.49 3i29 n ASP 113 N -4.58 0.17 -0.04 7.07 8.00 -0.50 -4.28 116.55 122.40 3i29 n ASP 113 Ca 0.25 0.24 -0.06 0.00 0.71 0.00 0.00 54.79 55.93 3i29 n ASP 113 Cb 0.92 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.73 3i29 n ASP 113 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3i29 n ILE 114 N -1.50 0.53 -1.38 0.53 -5.35 0.17 -4.32 119.36 108.05 3i29 n ILE 114 Ca 0.07 -0.24 -0.38 0.00 -0.27 0.00 0.00 62.75 61.92 3i29 n ILE 114 Cb 0.34 -0.83 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 3i29 n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i29 n LEU 115 N -2.64 6.99 -0.10 7.28 4.77 0.01 -4.34 117.00 128.98 3i29 n LEU 115 Ca -0.15 -3.91 0.05 0.00 -0.03 0.00 0.00 56.01 51.96 3i29 n LEU 115 Cb 0.70 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 40.37 3i29 n LEU 115 CO 0.11 1.22 0.49 1.33 -1.33 0.00 0.00 177.39 179.21 3i29 n VAL 116 N 4.53 1.25 -4.35 4.08 0.24 -1.22 -4.70 118.33 118.16 3i29 n VAL 116 Ca 0.61 -1.44 -0.27 0.00 -2.04 0.00 0.00 64.34 61.20 3i29 n VAL 116 Cb 0.30 0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.75 3i29 n VAL 116 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3i29 s PHE 117 N -1.75 2.40 -0.30 6.34 0.08 -1.06 0.52 117.98 124.21 3i29 s PHE 117 Ca 0.16 -0.69 -0.16 0.00 0.12 0.00 0.00 56.93 56.37 3i29 s PHE 117 Cb 0.14 -1.85 0.18 0.00 -0.57 0.00 0.00 43.02 40.92 3i29 s PHE 117 CO 0.02 0.22 1.09 0.21 -0.10 0.00 0.00 175.22 176.66 3i29 s LYS 118 N -3.87 0.18 0.57 0.44 2.20 -1.11 -1.63 119.74 116.52 3i29 s LYS 118 Ca 0.34 0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 56.17 3i29 s LYS 118 Cb 0.05 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 3i29 s LYS 118 CO 0.18 -0.11 1.11 -0.06 -0.36 0.00 0.00 175.35 176.12 3i29 s PHE 119 N 2.53 2.70 -0.21 4.03 0.08 -1.26 -1.37 117.98 124.47 3i29 s PHE 119 Ca -0.01 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.55 3i29 s PHE 119 Cb -0.06 -3.23 0.10 0.00 -0.57 0.00 0.00 43.02 39.26 3i29 s PHE 119 CO -0.15 -1.52 0.27 -2.00 -0.10 0.00 0.00 175.22 171.71 3i29 s GLU 120 N -3.51 0.24 0.66 0.44 2.12 0.05 -4.89 118.70 113.81 3i29 s GLU 120 Ca 0.71 0.30 -0.17 0.00 0.36 0.00 0.00 54.97 56.16 3i29 s GLU 120 Cb -0.22 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.13 3i29 s GLU 120 CO 0.30 -0.65 0.85 1.17 -0.54 0.00 0.00 175.26 176.39 3i29 n LYS 121 N 5.33 0.61 -3.24 4.30 4.81 -1.26 0.11 118.16 128.82 3i29 n LYS 121 Ca -0.05 0.26 -0.21 0.00 -0.87 0.00 0.00 58.31 57.43 3i29 n LYS 121 Cb 0.50 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.47 3i29 n LYS 121 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3i29 s VAL 122 N -1.70 4.12 0.12 3.15 1.01 -0.31 -4.71 120.40 122.08 3i29 s VAL 122 Ca 0.73 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3i29 s VAL 122 Cb -0.38 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3i29 s VAL 122 CO 0.50 -0.27 1.55 -1.28 0.00 0.00 0.00 175.10 175.61 3i29 h SER 123 N 0.65 0.72 -0.35 3.32 0.87 -1.95 -3.38 113.55 113.44 3i29 h SER 123 Ca -0.46 -0.34 -0.50 0.00 -1.23 0.00 0.00 61.79 59.26 3i29 h SER 123 Cb 1.25 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 3i29 h SER 123 CO 0.56 0.89 1.72 1.41 -0.53 0.00 0.00 176.83 180.87 3i29 n HIS 124 N -4.40 2.77 0.30 2.24 8.25 -1.26 -4.81 115.22 118.30 3i29 n HIS 124 Ca -0.01 -1.84 0.01 0.00 -0.26 0.00 0.00 57.72 55.63 3i29 n HIS 124 Cb 0.32 -2.34 0.02 0.00 1.12 0.00 0.00 29.99 29.11 3i29 n HIS 124 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3i29 n SER 125 N 11.01 0.00 -0.35 0.41 3.41 -1.26 -4.22 113.62 122.62 3i29 n SER 125 Ca 0.47 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 3i29 n SER 125 Cb 0.44 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3i29 n SER 125 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i29 n ASN 126 N -2.50 0.00 0.00 4.04 2.85 -1.26 -4.52 115.26 113.87 3i29 n ASN 126 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 3i29 n ASN 126 Cb 1.01 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.03 3i29 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i29 n ILE 127 N 0.17 0.00 -1.49 -1.44 3.06 -1.26 -5.10 119.36 113.30 3i29 n ILE 127 Ca 0.00 0.00 -0.48 0.00 -2.50 0.00 0.00 62.75 59.77 3i29 n ILE 127 Cb 0.00 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.12 3i29 n ILE 127 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 3i29 n HIS 128 N -0.90 1.68 -4.09 9.51 8.25 -1.26 -4.95 115.22 123.47 3i29 n HIS 128 Ca 0.00 0.16 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 3i29 n HIS 128 Cb 0.00 -2.59 -0.12 0.00 1.12 0.00 0.00 29.99 28.40 3i29 n HIS 128 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i29 s VAL 129 N 7.81 0.50 0.03 1.59 1.01 -1.26 -4.58 120.40 125.51 3i29 s VAL 129 Ca 1.07 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3i29 s VAL 129 Cb -0.69 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3i29 s VAL 129 CO 0.44 -0.25 -0.04 -0.31 0.00 0.00 0.00 175.10 174.94 3i29 s TYR 130 N -1.04 0.42 0.13 5.22 1.51 0.84 -1.16 117.35 123.27 3i29 s TYR 130 Ca -0.07 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3i29 s TYR 130 Cb -0.08 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 3i29 s TYR 130 CO 0.00 -0.19 0.32 0.15 -1.11 0.00 0.00 175.55 174.72 3i29 s LYS 131 N -1.92 3.52 -0.26 -0.62 1.02 0.29 0.55 119.74 122.33 3i29 s LYS 131 Ca -0.10 -0.30 -0.08 0.00 0.02 0.00 0.00 55.97 55.50 3i29 s LYS 131 Cb -0.07 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3i29 s LYS 131 CO -0.02 0.50 0.09 -1.17 -0.92 0.00 0.00 175.35 173.84 3i29 s LEU 132 N -2.81 3.56 0.22 3.17 2.96 -1.25 -0.77 118.68 123.75 3i29 s LEU 132 Ca 0.38 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3i29 s LEU 132 Cb -0.12 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 3i29 s LEU 132 CO 0.27 -0.04 0.50 -0.76 -1.32 0.00 0.00 176.35 175.00 3i29 s LEU 133 N 1.64 4.17 -0.17 -0.68 1.43 -0.47 -1.28 118.68 123.33 3i29 s LEU 133 Ca 0.06 0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 3i29 s LEU 133 Cb -0.15 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3i29 s LEU 133 CO 0.05 -0.06 -0.11 -0.47 0.23 0.00 0.00 176.35 175.98 3i29 s TYR 134 N -1.83 2.85 -0.31 0.29 5.04 0.02 -2.76 117.35 120.65 3i29 s TYR 134 Ca 0.45 -0.92 0.03 0.00 -2.44 0.00 0.00 57.07 54.19 3i29 s TYR 134 Cb -0.11 -1.94 0.09 0.00 0.35 0.00 0.00 41.96 40.34 3i29 s TYR 134 CO 0.24 -0.43 0.00 0.00 -1.34 0.00 0.00 175.55 174.02 3i29 s GLN 136 N 1.06 4.27 0.88 0.00 -2.07 -1.25 -4.57 119.66 117.98 3i29 s GLN 136 Ca 0.04 0.71 -0.11 0.00 -1.82 0.00 0.00 55.36 54.18 3i29 s GLN 136 Cb -0.19 -3.31 0.12 0.00 -1.09 0.00 0.00 33.01 28.54 3i29 s GLN 136 CO -0.09 0.45 1.10 -1.01 -1.32 0.00 0.00 175.29 174.43 3i29 s HIS 137 N -0.46 2.11 0.00 9.60 3.76 -1.26 -3.24 115.29 125.80 3i29 s HIS 137 Ca 0.30 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 3i29 s HIS 137 Cb -0.18 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.34 3i29 s HIS 137 CO 0.17 -2.43 0.00 -3.47 -0.85 0.00 0.00 174.74 168.17 3i29 n ASP 138 N -3.95 0.00 -2.74 1.40 -0.08 -1.25 -4.88 116.55 105.05 3i29 n ASP 138 Ca 0.09 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.28 3i29 n ASP 138 Cb 0.53 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.08 3i29 n ASP 138 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3i29 n GLU 139 N -1.47 1.07 -2.94 -0.67 0.28 -1.26 -4.92 120.64 110.72 3i29 n GLU 139 Ca 0.00 -2.00 -0.11 0.00 -0.16 0.00 0.00 57.16 54.89 3i29 n GLU 139 Cb 0.00 -0.79 0.04 0.00 1.43 0.00 0.00 31.44 32.12 3i29 n GLU 139 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3i29 n GLU 140 N 0.08 -3.87 -2.69 3.44 -0.58 -1.26 -4.96 120.64 110.79 3i29 n GLU 140 Ca 0.04 0.43 -0.02 0.00 -0.42 0.00 0.00 57.16 57.20 3i29 n GLU 140 Cb 0.74 -4.26 0.03 0.00 -0.57 0.00 0.00 31.44 27.39 3i29 n GLU 140 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i29 s ASP 141 N -3.38 -0.32 0.07 1.62 2.15 -1.26 -5.14 116.67 110.41 3i29 s ASP 141 Ca 0.18 -0.34 -0.30 0.00 0.43 0.00 0.00 52.55 52.52 3i29 s ASP 141 Cb -0.08 0.42 -0.05 0.00 -0.30 0.00 0.00 42.92 42.90 3i29 s ASP 141 CO 0.38 -0.02 1.14 0.54 -0.17 0.00 0.00 175.17 177.05 3i29 s VAL 142 N 1.16 4.16 -0.19 1.11 0.11 -1.26 -3.87 120.40 121.62 3i29 s VAL 142 Ca 0.22 1.59 -0.04 0.00 -2.93 0.00 0.00 61.98 60.83 3i29 s VAL 142 Cb 0.11 -4.02 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 3i29 s VAL 142 CO -0.11 0.15 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.23 3i29 s LYS 143 N 0.82 3.53 -1.27 1.54 1.02 -1.20 -4.96 119.74 119.22 3i29 s LYS 143 Ca 0.56 -0.57 -0.06 0.00 0.02 0.00 0.00 55.97 55.91 3i29 s LYS 143 Cb -0.28 -2.96 0.16 0.00 -0.52 0.00 0.00 37.83 34.24 3i29 s LYS 143 CO 0.30 0.03 2.12 0.00 -0.92 0.00 0.00 175.35 176.88 3i29 n ASP 145 N 2.24 6.64 -3.50 0.00 3.85 -1.26 -4.87 116.55 119.67 3i29 n ASP 145 Ca 0.52 -3.78 -0.14 0.00 -0.71 0.00 0.00 54.79 50.67 3i29 n ASP 145 Cb 0.29 -0.78 -0.04 0.00 -1.35 0.00 0.00 41.12 39.24 3i29 n ASP 145 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i29 s GLN 146 N -3.79 1.15 0.36 0.11 -0.21 -1.25 -5.07 119.66 110.96 3i29 s GLN 146 Ca 0.57 -0.20 0.09 0.00 0.02 0.00 0.00 55.36 55.83 3i29 s GLN 146 Cb 0.46 0.53 -0.07 0.00 1.00 0.00 0.00 33.01 34.93 3i29 s GLN 146 CO -0.11 -0.44 -0.07 0.71 -2.12 0.00 0.00 175.29 173.27 3i29 s TYR 147 N -2.67 2.44 -0.16 0.91 1.51 -0.95 -0.80 117.35 117.62 3i29 s TYR 147 Ca -0.04 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.43 3i29 s TYR 147 Cb -0.01 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3i29 s TYR 147 CO -0.03 0.55 0.00 0.42 -1.11 0.00 0.00 175.55 175.37 3i29 s ILE 148 N -2.63 4.24 0.13 2.71 1.09 -0.40 -0.79 121.20 125.54 3i29 s ILE 148 Ca 0.33 -0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3i29 s ILE 148 Cb 0.04 -2.87 -0.00 0.00 -1.06 0.00 0.00 42.46 38.57 3i29 s ILE 148 CO 0.17 0.49 0.04 0.61 -0.10 0.00 0.00 174.94 176.14 3i29 n GLY 149 N 3.47 3.88 3.58 6.18 0.00 0.47 -2.54 105.19 120.23 3i29 n GLY 149 Ca -0.17 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 3i29 n GLY 149 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i29 s ILE 150 N -1.92 4.29 -0.36 -0.61 -4.36 -1.24 -0.19 121.20 116.80 3i29 s ILE 150 Ca 0.05 -0.22 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 3i29 s ILE 150 Cb 0.00 -2.88 0.11 0.00 1.25 0.00 0.00 42.46 40.94 3i29 s ILE 150 CO 0.04 0.50 0.12 -2.28 0.24 0.00 0.00 174.94 173.56 3i29 s HIS 151 N 0.12 2.52 -0.02 1.37 2.46 -0.41 -4.95 115.29 116.39 3i29 s HIS 151 Ca 0.02 -2.39 -0.30 0.00 0.47 0.00 0.00 55.06 52.86 3i29 s HIS 151 Cb -0.13 -2.22 -0.05 0.00 -0.13 0.00 0.00 32.58 30.05 3i29 s HIS 151 CO 0.02 -0.87 1.34 1.03 -2.47 0.00 0.00 174.74 173.79 3i29 s ARG 152 N 0.98 4.30 0.00 2.88 0.52 -1.26 -2.92 118.95 123.46 3i29 s ARG 152 Ca 0.12 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 3i29 s ARG 152 Cb -0.20 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.69 3i29 s ARG 152 CO -0.13 -0.55 0.00 -0.40 0.02 0.00 0.00 175.30 174.25 3i29 n ASP 153 N 5.39 0.00 0.25 0.23 5.75 -0.94 -4.91 116.55 122.32 3i29 n ASP 153 Ca 0.13 -0.91 0.18 0.00 -0.01 0.00 0.00 54.79 54.18 3i29 n ASP 153 Cb 0.44 0.00 0.90 0.00 -1.03 0.00 0.00 41.12 41.43 3i29 n ASP 153 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3i29 h ARG 154 N 0.00 0.00 -0.12 0.11 2.43 -1.94 -0.54 114.38 114.32 3i29 h ARG 154 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i29 h ARG 154 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i29 h ARG 154 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 3i29 n ASN 155 N -3.52 2.22 0.00 -3.80 5.03 -1.26 -4.98 115.26 108.95 3i29 n ASN 155 Ca 0.00 -1.63 0.00 0.00 0.87 0.00 0.00 54.58 53.82 3i29 n ASN 155 Cb 0.29 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 3i29 n ASN 155 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i29 n GLY 156 N 0.56 1.55 3.64 7.41 0.00 -0.21 -5.03 105.19 113.12 3i29 n GLY 156 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 3i29 n GLY 156 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i29 n ASN 157 N 0.00 3.25 -4.10 1.61 3.02 -1.26 -4.48 115.26 113.29 3i29 n ASN 157 Ca 0.00 0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 54.94 3i29 n ASN 157 Cb 0.00 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 3i29 n ASN 157 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i29 n ARG 158 N 7.10 3.15 -2.52 3.52 3.00 -1.26 -2.22 116.66 127.42 3i29 n ARG 158 Ca 0.26 -3.12 -0.40 0.00 -0.01 0.00 0.00 57.85 54.58 3i29 n ARG 158 Cb 0.30 -3.26 -0.05 0.00 0.00 0.00 0.00 32.46 29.45 3i29 n ARG 158 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3i29 s ARG 159 N 2.84 4.68 -0.08 5.56 1.70 -1.15 -1.32 118.95 131.18 3i29 s ARG 159 Ca 0.47 1.75 -0.29 0.00 -0.47 0.00 0.00 55.73 57.19 3i29 s ARG 159 Cb 0.08 -3.20 -0.02 0.00 -0.57 0.00 0.00 34.95 31.24 3i29 s ARG 159 CO -0.01 0.26 0.98 -0.51 -1.08 0.00 0.00 175.30 174.95 3i29 s LEU 160 N -1.41 4.28 0.22 -1.89 1.02 -0.25 -1.28 118.68 119.37 3i29 s LEU 160 Ca 0.44 1.54 0.00 0.00 0.02 0.00 0.00 54.13 56.14 3i29 s LEU 160 Cb -0.31 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.33 3i29 s LEU 160 CO 0.39 -0.38 0.14 0.68 0.02 0.00 0.00 176.35 177.20 3i29 s VAL 161 N 1.70 0.10 -0.21 -1.59 -7.23 0.73 -1.15 120.40 112.75 3i29 s VAL 161 Ca 0.49 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 3i29 s VAL 161 Cb -0.19 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3i29 s VAL 161 CO 0.21 0.00 0.76 -0.69 -0.31 0.00 0.00 175.10 175.06 3i29 s VAL 162 N -4.01 4.91 0.41 1.32 1.01 -0.72 0.18 120.40 123.50 3i29 s VAL 162 Ca 0.39 1.44 0.03 0.00 0.00 0.00 0.00 61.98 63.84 3i29 s VAL 162 Cb 0.07 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3i29 s VAL 162 CO 0.14 0.02 0.12 0.35 0.00 0.00 0.00 175.10 175.72 3i29 n THR 163 N 4.94 0.00 -0.53 3.92 -2.24 0.03 -4.83 114.28 115.57 3i29 n THR 163 Ca 0.03 -2.31 0.00 0.00 -2.27 0.00 0.00 64.05 59.50 3i29 n THR 163 Cb 0.49 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3i29 n THR 163 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i29 n GLU 164 N -0.95 0.11 -0.04 -0.78 4.07 -1.26 -2.24 120.64 119.54 3i29 n GLU 164 Ca -0.08 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 3i29 n GLU 164 Cb 0.60 -0.30 0.00 0.00 -0.06 0.00 0.00 31.44 31.68 3i29 n GLU 164 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3i29 n GLU 165 N -0.02 0.00 -2.67 5.31 -0.58 -1.26 -4.88 120.64 116.54 3i29 n GLU 165 Ca 0.00 -0.40 -0.08 0.00 -0.42 0.00 0.00 57.16 56.26 3i29 n GLU 165 Cb 0.13 -0.37 0.03 0.00 -0.57 0.00 0.00 31.44 30.67 3i29 n GLU 165 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3i29 n ASN 166 N 0.00 2.02 -4.76 1.62 5.15 -1.26 -5.11 115.26 112.91 3i29 n ASN 166 Ca 0.00 -2.60 -0.39 0.00 -0.60 0.00 0.00 54.58 51.00 3i29 n ASN 166 Cb 0.51 -0.49 0.01 0.00 -0.53 0.00 0.00 39.78 39.28 3i29 n ASN 166 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i29 s PRO 167 N -3.46 3.72 0.41 1.20 0.04 -1.26 -3.73 135.00 131.91 3i29 s PRO 167 Ca 0.31 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.46 3i29 s PRO 167 Cb 0.40 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 3i29 s PRO 167 CO -0.01 -0.68 0.61 -0.48 0.04 0.00 0.00 177.00 176.48 3i29 s LEU 168 N -2.83 3.76 0.05 -3.56 0.05 -1.05 -4.91 118.68 110.18 3i29 s LEU 168 Ca 0.62 0.16 0.07 0.00 0.05 0.00 0.00 54.13 55.02 3i29 s LEU 168 Cb -0.36 -3.05 -0.03 0.00 -2.05 0.00 0.00 46.19 40.70 3i29 s LEU 168 CO 0.45 -0.61 -0.19 -1.61 -0.55 0.00 0.00 176.35 173.85 3i29 s GLU 169 N -4.43 1.20 0.05 1.48 2.02 -1.26 -3.88 118.70 113.87 3i29 s GLU 169 Ca 0.47 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.54 3i29 s GLU 169 Cb -0.10 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 3i29 s GLU 169 CO 0.36 0.33 -0.07 -0.51 0.02 0.00 0.00 175.26 175.39 3i29 s LEU 170 N -1.32 2.32 -0.05 1.80 1.43 0.19 -3.34 118.68 119.71 3i29 s LEU 170 Ca 0.05 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3i29 s LEU 170 Cb -0.09 -0.09 -0.00 0.00 0.03 0.00 0.00 46.19 46.04 3i29 s LEU 170 CO 0.02 -0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 175.44 3i29 s VAL 171 N -2.00 1.50 -0.14 -1.59 1.01 0.15 -0.11 120.40 119.22 3i29 s VAL 171 Ca -0.05 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3i29 s VAL 171 Cb -0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3i29 s VAL 171 CO -0.01 0.43 0.24 -0.76 0.00 0.00 0.00 175.10 175.00 3i29 s LEU 172 N 0.14 4.29 -0.18 3.92 1.43 -1.26 -2.01 118.68 125.01 3i29 s LEU 172 Ca -0.07 0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3i29 s LEU 172 Cb -0.13 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.85 3i29 s LEU 172 CO 0.03 0.20 -0.05 -0.22 0.23 0.00 0.00 176.35 176.54 3i29 s LEU 173 N -0.03 1.75 -0.35 1.79 2.96 -0.81 0.13 118.68 124.12 3i29 s LEU 173 Ca 0.15 -0.74 -0.41 0.00 -0.22 0.00 0.00 54.13 52.91 3i29 s LEU 173 Cb -0.13 -0.95 -0.16 0.00 0.50 0.00 0.00 46.19 45.45 3i29 s LEU 173 CO 0.04 -0.19 1.78 1.17 -1.32 0.00 0.00 176.35 177.82 3i29 n LYS 174 N 4.85 0.84 0.00 1.98 3.00 -1.26 -1.01 118.16 126.55 3i29 n LYS 174 Ca -0.12 0.30 0.11 0.00 -0.00 0.00 0.00 58.31 58.60 3i29 n LYS 174 Cb 0.47 -1.97 0.64 0.00 0.00 0.00 0.00 35.03 34.17 3i29 n LYS 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40