#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dk0 h PRO 11 N 0.00 0.00 -3.88 0.00 0.13 -1.88 -3.41 132.00 122.97 3dk0 h PRO 11 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 3dk0 h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 3dk0 h PRO 11 CO 0.00 0.07 -0.78 -1.17 -0.23 0.00 0.00 178.00 175.90 3dk0 s LEU 12 N -7.34 0.80 0.04 1.56 2.96 -1.26 -1.23 118.68 114.21 3dk0 s LEU 12 Ca -0.04 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 3dk0 s LEU 12 Cb 0.14 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 3dk0 s LEU 12 CO 0.56 -0.16 -0.23 -0.04 -1.32 0.00 0.00 176.35 175.16 3dk0 s MET 13 N 1.83 1.62 -0.04 1.98 -1.94 -0.12 -4.56 119.30 118.06 3dk0 s MET 13 Ca 0.04 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.08 3dk0 s MET 13 Cb -0.12 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 3dk0 s MET 13 CO -0.06 0.45 -0.21 0.08 -0.01 0.00 0.00 175.02 175.28 3dk0 s VAL 14 N -0.77 1.70 -0.06 -6.03 1.01 -1.26 -0.76 120.40 114.22 3dk0 s VAL 14 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3dk0 s VAL 14 Cb -0.09 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3dk0 s VAL 14 CO 0.02 0.48 -0.04 -0.75 0.00 0.00 0.00 175.10 174.80 3dk0 s LYS 15 N -0.16 0.94 -0.11 2.72 2.20 -0.43 -4.10 119.74 120.81 3dk0 s LYS 15 Ca -0.01 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 3dk0 s LYS 15 Cb -0.11 -1.03 -0.00 0.00 -1.51 0.00 0.00 37.83 35.17 3dk0 s LYS 15 CO 0.02 -0.16 -0.22 0.08 -0.36 0.00 0.00 175.35 174.71 3dk0 s VAL 16 N 1.30 2.26 0.10 4.02 1.01 0.11 -0.94 120.40 128.27 3dk0 s VAL 16 Ca -0.05 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.07 3dk0 s VAL 16 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3dk0 s VAL 16 CO -0.02 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.65 3dk0 s LEU 17 N 0.34 2.29 -0.28 3.92 1.43 -0.22 -1.73 118.68 124.42 3dk0 s LEU 17 Ca -0.17 -0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3dk0 s LEU 17 Cb -0.18 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 3dk0 s LEU 17 CO 0.08 0.08 0.11 -0.62 0.23 0.00 0.00 176.35 176.24 3dk0 s ASP 18 N -1.85 5.33 0.00 2.29 -1.08 0.06 -0.86 116.67 120.57 3dk0 s ASP 18 Ca 0.07 -0.41 0.28 0.00 -0.52 0.00 0.00 52.55 51.97 3dk0 s ASP 18 Cb -0.10 -1.96 1.06 0.00 -1.46 0.00 0.00 42.92 40.46 3dk0 s ASP 18 CO 0.04 -0.13 1.76 0.00 0.52 0.00 0.00 175.17 177.36 3dk0 n ALA 19 N 4.94 2.87 -0.06 3.66 0.00 0.05 -2.13 120.51 129.85 3dk0 n ALA 19 Ca -0.15 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 3dk0 n ALA 19 Cb 0.50 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 3dk0 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dk0 h VAL 20 N 0.62 0.84 -0.01 0.00 2.07 -1.95 -3.40 116.25 114.42 3dk0 h VAL 20 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3dk0 h VAL 20 Cb 0.41 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3dk0 h VAL 20 CO 0.00 0.55 -0.50 0.54 0.02 0.00 0.00 177.57 178.18 3dk0 n ARG 21 N -4.07 1.27 -3.09 1.57 1.74 -1.26 -5.01 116.66 107.81 3dk0 n ARG 21 Ca -0.31 -0.80 -0.13 0.00 -0.77 0.00 0.00 57.85 55.84 3dk0 n ARG 21 Cb 0.82 -1.41 0.07 0.00 -1.02 0.00 0.00 32.46 30.92 3dk0 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dk0 n GLY 22 N 1.35 -0.25 3.29 -0.13 0.00 -0.90 -5.04 105.19 103.51 3dk0 n GLY 22 Ca 0.08 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3dk0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dk0 s SER 23 N -3.98 0.11 0.46 1.61 1.04 -1.16 -5.02 113.70 106.76 3dk0 s SER 23 Ca 0.04 -0.97 -0.24 0.00 0.48 0.00 0.00 55.95 55.26 3dk0 s SER 23 Cb -0.01 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 66.44 3dk0 s SER 23 CO 0.57 -0.85 1.31 -2.84 0.98 0.00 0.00 173.24 172.41 3dk0 s PRO 24 N -3.99 3.65 -0.36 4.02 0.02 -1.26 -0.76 135.00 136.32 3dk0 s PRO 24 Ca 0.19 2.14 -0.26 0.00 0.02 0.00 0.00 61.00 63.10 3dk0 s PRO 24 Cb 0.04 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3dk0 s PRO 24 CO 0.01 -0.75 0.91 0.00 -0.33 0.00 0.00 177.00 176.83 3dk0 s ALA 25 N -1.32 3.43 -0.07 -1.55 0.00 -0.70 -4.71 121.76 116.84 3dk0 s ALA 25 Ca 0.63 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 3dk0 s ALA 25 Cb -0.38 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 3dk0 s ALA 25 CO 0.47 -1.53 0.13 0.42 0.00 0.00 0.00 175.76 175.25 3dk0 s ILE 26 N 3.39 5.28 -1.03 0.00 1.01 -1.26 -4.36 121.20 124.22 3dk0 s ILE 26 Ca 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3dk0 s ILE 26 Cb -0.12 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3dk0 s ILE 26 CO 0.17 0.49 0.33 0.59 0.00 0.00 0.00 174.94 176.53 3dk0 n ASN 27 N 1.56 -4.47 -4.76 3.58 5.03 -0.78 -4.97 115.26 110.46 3dk0 n ASN 27 Ca -0.16 -0.16 -0.36 0.00 0.87 0.00 0.00 54.58 54.77 3dk0 n ASN 27 Cb 0.54 -3.39 -0.07 0.00 -1.02 0.00 0.00 39.78 35.84 3dk0 n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dk0 s VAL 28 N -2.91 5.39 0.09 2.41 1.01 -1.26 -4.77 120.40 120.37 3dk0 s VAL 28 Ca 0.17 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 3dk0 s VAL 28 Cb -0.07 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3dk0 s VAL 28 CO 0.20 0.46 1.11 0.00 0.00 0.00 0.00 175.10 176.87 3dk0 s ALA 29 N 0.13 3.33 -0.11 5.51 0.00 -1.26 -0.62 121.76 128.74 3dk0 s ALA 29 Ca 0.11 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3dk0 s ALA 29 Cb -0.12 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3dk0 s ALA 29 CO 0.01 -0.29 -0.15 0.08 0.00 0.00 0.00 175.76 175.41 3dk0 s VAL 30 N 0.53 1.49 -0.06 0.00 1.01 -0.14 -1.53 120.40 121.69 3dk0 s VAL 30 Ca 0.53 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3dk0 s VAL 30 Cb -0.27 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3dk0 s VAL 30 CO 0.31 0.44 -0.25 -1.00 0.00 0.00 0.00 175.10 174.60 3dk0 s HIS 31 N 1.05 2.46 -0.06 5.22 3.76 -0.20 -1.37 115.29 126.15 3dk0 s HIS 31 Ca -0.05 -0.77 0.05 0.00 -0.15 0.00 0.00 55.06 54.14 3dk0 s HIS 31 Cb -0.15 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.91 3dk0 s HIS 31 CO -0.03 -0.24 -0.20 0.08 -0.85 0.00 0.00 174.74 173.50 3dk0 s VAL 32 N -0.09 2.50 0.14 -0.90 1.01 0.93 -0.13 120.40 123.86 3dk0 s VAL 32 Ca -0.06 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3dk0 s VAL 32 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3dk0 s VAL 32 CO 0.04 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.18 3dk0 s PHE 33 N -0.26 1.66 -0.05 5.22 0.40 0.31 -0.88 117.98 124.38 3dk0 s PHE 33 Ca 0.00 -0.50 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 3dk0 s PHE 33 Cb -0.13 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.56 3dk0 s PHE 33 CO 0.03 0.25 -0.13 0.50 0.70 0.00 0.00 175.22 176.56 3dk0 s ARG 34 N -2.66 1.56 0.12 0.44 3.52 0.03 -0.62 118.95 121.34 3dk0 s ARG 34 Ca 0.12 -0.47 -0.31 0.00 -0.13 0.00 0.00 55.73 54.94 3dk0 s ARG 34 Cb -0.06 -1.34 -0.08 0.00 -1.56 0.00 0.00 34.95 31.91 3dk0 s ARG 34 CO 0.05 0.13 1.38 0.21 -0.81 0.00 0.00 175.30 176.27 3dk0 s LYS 35 N 0.30 4.32 0.35 5.12 2.20 -0.29 -2.55 119.74 129.19 3dk0 s LYS 35 Ca -0.08 2.07 0.02 0.00 -0.36 0.00 0.00 55.97 57.62 3dk0 s LYS 35 Cb -0.12 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3dk0 s LYS 35 CO 0.02 -0.42 0.54 0.00 -0.36 0.00 0.00 175.35 175.13 3dk0 s ALA 36 N 1.04 3.79 0.55 3.13 0.00 -0.70 -4.73 121.76 124.83 3dk0 s ALA 36 Ca 0.64 -1.03 0.25 0.00 0.00 0.00 0.00 51.96 51.82 3dk0 s ALA 36 Cb -0.37 -2.03 1.45 0.00 0.00 0.00 0.00 23.12 22.18 3dk0 s ALA 36 CO 0.31 -0.06 2.04 0.00 0.00 0.00 0.00 175.76 178.04 3dk0 h ALA 37 N 0.74 2.22 0.00 0.00 0.00 -1.96 0.63 119.26 120.89 3dk0 h ALA 37 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dk0 h ALA 37 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dk0 h ALA 37 CO 0.60 -0.47 0.00 -0.40 0.00 0.00 0.00 179.25 178.98 3dk0 n ASP 38 N -4.20 0.00 -0.41 0.00 5.75 -1.26 -4.89 116.55 111.54 3dk0 n ASP 38 Ca 0.06 0.06 -0.05 0.00 -0.01 0.00 0.00 54.79 54.85 3dk0 n ASP 38 Cb 0.46 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 3dk0 n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3dk0 n ASP 39 N -1.27 -3.03 -4.56 -1.12 2.03 0.22 -5.05 116.55 103.77 3dk0 n ASP 39 Ca 0.07 0.07 -0.25 0.00 0.52 0.00 0.00 54.79 55.20 3dk0 n ASP 39 Cb 0.11 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 38.95 3dk0 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3dk0 s THR 40 N -2.19 3.06 0.07 5.18 -4.23 -1.25 -4.87 115.64 111.41 3dk0 s THR 40 Ca 0.00 -1.91 -0.29 0.00 -1.18 0.00 0.00 61.69 58.31 3dk0 s THR 40 Cb 0.00 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 3dk0 s THR 40 CO 0.00 -0.25 0.93 0.26 -0.54 0.00 0.00 174.62 175.02 3dk0 s TRP 41 N -2.04 3.76 -0.10 3.99 0.23 -1.26 -1.72 118.94 121.80 3dk0 s TRP 41 Ca 0.27 1.71 -0.01 0.00 -2.03 0.00 0.00 56.10 56.04 3dk0 s TRP 41 Cb -0.07 -3.03 0.03 0.00 0.03 0.00 0.00 33.47 30.43 3dk0 s TRP 41 CO 0.16 0.17 -0.02 -2.00 0.96 0.00 0.00 176.95 176.22 3dk0 s GLU 42 N 0.24 0.90 0.27 4.98 2.12 -1.06 -4.95 118.70 121.20 3dk0 s GLU 42 Ca 0.46 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 3dk0 s GLU 42 Cb -0.22 -1.28 -0.14 0.00 0.26 0.00 0.00 34.13 32.75 3dk0 s GLU 42 CO 0.28 -0.32 1.10 -2.30 -0.54 0.00 0.00 175.26 173.48 3dk0 n PRO 43 N 5.07 1.45 0.00 4.30 -0.02 -1.26 -0.79 135.00 143.75 3dk0 n PRO 43 Ca -0.09 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3dk0 n PRO 43 Cb 0.50 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3dk0 n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dk0 n PHE 44 N 0.64 0.00 -3.44 6.00 7.35 -0.06 -4.78 117.46 123.18 3dk0 n PHE 44 Ca 0.10 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.67 3dk0 n PHE 44 Cb 0.31 0.09 -0.02 0.00 0.35 0.00 0.00 39.48 40.21 3dk0 n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dk0 s ALA 45 N -1.66 -1.64 0.02 3.13 0.00 -1.07 -5.02 121.76 115.52 3dk0 s ALA 45 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 3dk0 s ALA 45 Cb 0.00 0.76 0.10 0.00 0.00 0.00 0.00 23.12 23.98 3dk0 s ALA 45 CO 0.00 -0.73 0.83 -1.54 0.00 0.00 0.00 175.76 174.32 3dk0 s SER 46 N -2.60 -0.42 0.05 0.00 1.04 -1.26 -0.05 113.70 110.47 3dk0 s SER 46 Ca 0.01 0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.28 3dk0 s SER 46 Cb -0.01 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.61 3dk0 s SER 46 CO -0.11 -0.68 0.90 0.61 0.98 0.00 0.00 173.24 174.94 3dk0 n GLY 47 N -0.19 0.50 3.25 7.32 0.00 -0.47 -4.96 105.19 110.65 3dk0 n GLY 47 Ca -0.11 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 3dk0 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dk0 s LYS 48 N -2.02 1.90 0.33 1.61 2.20 -1.26 -0.96 119.74 121.53 3dk0 s LYS 48 Ca 0.21 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 3dk0 s LYS 48 Cb -0.01 -1.81 -0.10 0.00 -1.51 0.00 0.00 37.83 34.39 3dk0 s LYS 48 CO 0.01 0.48 1.32 0.95 -0.36 0.00 0.00 175.35 177.75 3dk0 s THR 49 N -0.49 2.70 0.00 3.43 -4.23 0.21 -4.26 115.64 113.00 3dk0 s THR 49 Ca 0.08 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 3dk0 s THR 49 Cb -0.09 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.30 3dk0 s THR 49 CO -0.00 0.16 0.00 -1.54 -0.54 0.00 0.00 174.62 172.70 3dk0 n SER 50 N 0.87 0.00 0.22 3.99 3.41 0.20 -1.86 113.62 120.45 3dk0 n SER 50 Ca 0.00 -0.99 0.15 0.00 -0.26 0.00 0.00 58.87 57.77 3dk0 n SER 50 Cb 0.42 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.07 3dk0 n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3dk0 h GLU 51 N 0.00 0.00 -0.00 4.33 5.08 -1.93 -1.86 114.58 120.20 3dk0 h GLU 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dk0 h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dk0 h GLU 51 CO 0.00 0.00 -0.24 -1.13 -1.00 0.00 0.00 179.01 176.64 3dk0 n SER 52 N -2.63 0.39 0.00 1.42 3.41 -1.26 -4.77 113.62 110.18 3dk0 n SER 52 Ca -0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3dk0 n SER 52 Cb 0.18 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3dk0 n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dk0 n GLY 53 N 1.43 0.52 3.21 5.00 0.00 -0.70 -4.83 105.19 109.82 3dk0 n GLY 53 Ca 0.09 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3dk0 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dk0 s GLU 54 N -1.15 1.84 -0.34 1.61 2.02 -1.26 -0.71 118.70 120.72 3dk0 s GLU 54 Ca 0.00 -0.74 -0.22 0.00 0.02 0.00 0.00 54.97 54.04 3dk0 s GLU 54 Cb 0.00 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.54 3dk0 s GLU 54 CO 0.00 0.39 0.70 -1.25 0.02 0.00 0.00 175.26 175.12 3dk0 s PRO 55 N -0.31 3.81 0.15 0.39 0.04 -1.26 -0.62 135.00 137.20 3dk0 s PRO 55 Ca 0.03 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3dk0 s PRO 55 Cb -0.10 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.60 3dk0 s PRO 55 CO 0.01 -0.72 0.96 -1.01 0.04 0.00 0.00 177.00 176.28 3dk0 s HIS 56 N 2.84 3.86 -0.79 0.56 3.76 -1.26 -4.23 115.29 120.02 3dk0 s HIS 56 Ca 0.28 1.83 -0.04 0.00 -0.15 0.00 0.00 55.06 56.98 3dk0 s HIS 56 Cb -0.14 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 3dk0 s HIS 56 CO 0.14 0.26 0.69 0.41 -0.85 0.00 0.00 174.74 175.39 3dk0 n GLY 57 N 2.02 -0.60 0.09 -2.22 0.00 -1.26 -4.98 105.19 98.24 3dk0 n GLY 57 Ca 0.01 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 3dk0 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dk0 h LEU 58 N -0.85 0.16 0.00 0.99 3.38 -1.80 -3.48 115.31 113.70 3dk0 h LEU 58 Ca -0.45 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 3dk0 h LEU 58 Cb 1.23 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3dk0 h LEU 58 CO 0.33 0.36 -0.07 1.07 0.09 0.00 0.00 178.44 180.23 3dk0 n THR 59 N -4.86 0.00 -4.45 0.22 5.66 -1.26 -4.65 114.28 104.93 3dk0 n THR 59 Ca -0.06 -0.78 -0.22 0.00 -3.05 0.00 0.00 64.05 59.94 3dk0 n THR 59 Cb 0.16 0.48 -0.11 0.00 -1.55 0.00 0.00 70.33 69.32 3dk0 n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dk0 s THR 60 N -2.60 1.47 0.31 1.09 -4.23 -1.26 -4.61 115.64 105.82 3dk0 s THR 60 Ca 0.13 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 3dk0 s THR 60 Cb -0.00 -2.64 0.13 0.00 1.34 0.00 0.00 72.50 71.33 3dk0 s THR 60 CO 0.09 -0.15 1.83 -0.33 -0.54 0.00 0.00 174.62 175.52 3dk0 h GLU 61 N 2.17 0.56 -0.12 3.99 5.08 -1.99 -2.54 114.58 121.72 3dk0 h GLU 61 Ca -0.41 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 57.72 3dk0 h GLU 61 Cb 1.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3dk0 h GLU 61 CO 0.70 0.62 -0.37 0.93 -1.00 0.00 0.00 179.01 179.89 3dk0 h GLU 62 N 0.53 0.25 0.09 2.33 5.08 -2.05 -3.29 114.58 117.52 3dk0 h GLU 62 Ca 0.11 -0.11 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 3dk0 h GLU 62 Cb 0.41 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3dk0 h GLU 62 CO 0.02 0.59 -1.66 1.49 -1.00 0.00 0.00 179.01 178.45 3dk0 h GLU 63 N 0.22 0.18 -5.61 2.33 4.81 -1.95 -3.42 114.58 111.14 3dk0 h GLU 63 Ca 0.02 -0.31 -0.68 0.00 -0.13 0.00 0.00 59.36 58.27 3dk0 h GLU 63 Cb 0.75 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.13 3dk0 h GLU 63 CO 0.06 0.98 1.79 0.12 -0.73 0.00 0.00 179.01 181.22 3dk0 s PHE 64 N -2.60 2.91 0.57 0.92 5.36 -0.97 -4.98 117.98 119.18 3dk0 s PHE 64 Ca -0.11 -1.57 -0.00 0.00 -0.96 0.00 0.00 56.93 54.29 3dk0 s PHE 64 Cb 0.07 -4.62 0.03 0.00 -0.34 0.00 0.00 43.02 38.17 3dk0 s PHE 64 CO 0.83 -1.72 0.81 0.14 -1.46 0.00 0.00 175.22 173.81 3dk0 s VAL 65 N 3.69 2.73 0.48 3.12 -7.23 -1.26 -4.92 120.40 117.01 3dk0 s VAL 65 Ca 0.48 -0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 3dk0 s VAL 65 Cb 0.01 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 3dk0 s VAL 65 CO 0.02 -0.04 1.04 -0.62 -0.31 0.00 0.00 175.10 175.18 3dk0 n GLU 66 N -2.42 1.30 -3.65 4.82 1.02 -1.26 -4.90 120.64 115.55 3dk0 n GLU 66 Ca 0.07 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3dk0 n GLU 66 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3dk0 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dk0 n GLY 67 N 1.16 -1.43 3.62 0.62 0.00 -1.22 -4.99 105.19 102.95 3dk0 n GLY 67 Ca 0.10 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 3dk0 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk0 s ILE 68 N -2.74 5.09 0.19 -0.61 1.01 -1.26 -0.23 121.20 122.65 3dk0 s ILE 68 Ca 0.00 0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.85 3dk0 s ILE 68 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3dk0 s ILE 68 CO 0.00 0.36 -0.23 -0.31 0.00 0.00 0.00 174.94 174.76 3dk0 s TYR 69 N 1.04 2.26 -0.09 3.97 1.51 -0.08 -1.14 117.35 124.83 3dk0 s TYR 69 Ca 0.06 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 3dk0 s TYR 69 Cb -0.14 -1.12 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3dk0 s TYR 69 CO 0.04 0.49 -0.07 0.21 -1.11 0.00 0.00 175.55 175.10 3dk0 s LYS 70 N -2.69 1.36 -0.23 -0.62 2.20 0.21 -1.51 119.74 118.46 3dk0 s LYS 70 Ca 0.20 -0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.52 3dk0 s LYS 70 Cb -0.08 -1.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 3dk0 s LYS 70 CO 0.10 -0.17 0.05 0.08 -0.36 0.00 0.00 175.35 175.05 3dk0 s VAL 71 N 1.34 4.23 -0.15 4.02 1.01 0.46 -0.53 120.40 130.79 3dk0 s VAL 71 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3dk0 s VAL 71 Cb -0.14 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3dk0 s VAL 71 CO -0.03 0.37 -0.19 -0.70 0.00 0.00 0.00 175.10 174.55 3dk0 s GLU 72 N 1.39 2.74 -0.24 2.72 2.12 0.81 -0.68 118.70 127.56 3dk0 s GLU 72 Ca 0.05 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 3dk0 s GLU 72 Cb -0.15 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.90 3dk0 s GLU 72 CO 0.03 -0.14 -0.01 0.42 -0.54 0.00 0.00 175.26 175.01 3dk0 s ILE 73 N 1.17 3.50 -1.31 -3.70 1.01 0.34 -1.03 121.20 121.16 3dk0 s ILE 73 Ca 0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3dk0 s ILE 73 Cb -0.14 -2.67 0.05 0.00 0.01 0.00 0.00 42.46 39.71 3dk0 s ILE 73 CO -0.08 0.31 1.84 0.47 0.00 0.00 0.00 174.94 177.48 3dk0 n ASP 74 N 4.80 4.59 0.15 3.58 9.92 -0.58 -1.71 116.55 137.29 3dk0 n ASP 74 Ca -0.17 -2.89 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 3dk0 n ASP 74 Cb 0.50 -1.72 0.28 0.00 -0.64 0.00 0.00 41.12 39.53 3dk0 n ASP 74 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3dk0 h THR 75 N 5.31 1.32 -0.57 -3.53 1.35 -1.89 -3.28 112.91 111.63 3dk0 h THR 75 Ca 0.46 -1.53 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 3dk0 h THR 75 Cb 0.83 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3dk0 h THR 75 CO 1.53 0.44 0.17 0.50 -0.25 0.00 0.00 175.52 177.91 3dk0 h LYS 76 N 0.06 0.89 -0.12 4.72 3.64 -1.75 -2.63 116.57 121.37 3dk0 h LYS 76 Ca 0.00 -0.20 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 3dk0 h LYS 76 Cb 0.80 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3dk0 h LYS 76 CO 0.06 0.81 -0.22 0.77 -2.27 0.00 0.00 179.45 178.59 3dk0 h SER 77 N 0.80 0.21 0.13 4.20 0.02 -1.87 -2.37 113.55 114.67 3dk0 h SER 77 Ca 0.18 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3dk0 h SER 77 Cb 0.30 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3dk0 h SER 77 CO -0.00 0.44 -0.06 0.22 -1.14 0.00 0.00 176.83 176.29 3dk0 h TYR 78 N 0.20 -0.16 -0.51 3.45 3.20 -1.57 -2.97 116.97 118.60 3dk0 h TYR 78 Ca 0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3dk0 h TYR 78 Cb 0.51 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3dk0 h TYR 78 CO 0.01 0.14 -0.07 -1.49 -1.64 0.00 0.00 178.16 175.11 3dk0 h TRP 79 N -0.47 1.06 -0.82 -3.82 4.06 -1.45 -3.04 115.95 111.46 3dk0 h TRP 79 Ca -0.02 -0.21 0.08 0.00 2.06 0.00 0.00 58.89 60.80 3dk0 h TRP 79 Cb 0.38 -0.27 -0.06 0.00 -1.00 0.00 0.00 29.16 28.22 3dk0 h TRP 79 CO 0.02 0.99 0.54 0.87 -3.56 0.00 0.00 178.44 177.30 3dk0 h LYS 80 N 0.82 0.82 0.00 0.49 1.57 -1.51 -1.70 116.57 117.06 3dk0 h LYS 80 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3dk0 h LYS 80 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3dk0 h LYS 80 CO 0.04 0.55 -0.32 0.00 -0.57 0.00 0.00 179.45 179.15 3dk0 h ALA 81 N 1.57 1.19 -0.00 3.86 0.00 -1.41 -2.87 119.26 121.60 3dk0 h ALA 81 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dk0 h ALA 81 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dk0 h ALA 81 CO -0.14 0.40 -0.24 1.28 0.00 0.00 0.00 179.25 180.55 3dk0 n LEU 82 N -3.75 0.68 -0.71 0.00 4.77 -0.72 -4.94 117.00 112.34 3dk0 n LEU 82 Ca -0.01 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.84 3dk0 n LEU 82 Cb 0.41 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3dk0 n LEU 82 CO 0.36 0.13 -0.03 0.61 -1.33 0.00 0.00 177.39 177.13 3dk0 n GLY 83 N 1.36 0.28 3.12 -0.72 0.00 -1.06 -5.06 105.19 103.10 3dk0 n GLY 83 Ca 0.11 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 3dk0 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dk0 s ILE 84 N -2.44 1.80 -0.11 -0.61 1.01 -0.76 -5.04 121.20 115.04 3dk0 s ILE 84 Ca 0.03 -0.82 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3dk0 s ILE 84 Cb -0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3dk0 s ILE 84 CO 0.04 0.50 1.53 -0.55 0.00 0.00 0.00 174.94 176.46 3dk0 s SER 85 N 0.91 6.71 0.36 3.58 0.15 -1.26 -3.79 113.70 120.36 3dk0 s SER 85 Ca -0.07 1.98 0.02 0.00 0.70 0.00 0.00 55.95 58.58 3dk0 s SER 85 Cb -0.15 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3dk0 s SER 85 CO -0.02 -0.92 0.55 -2.16 1.20 0.00 0.00 173.24 171.89 3dk0 s PRO 86 N 3.96 3.29 -0.23 5.44 0.04 -1.26 -4.85 135.00 141.38 3dk0 s PRO 86 Ca 0.67 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.01 3dk0 s PRO 86 Cb -0.28 -2.68 -0.12 0.00 0.04 0.00 0.00 34.50 31.45 3dk0 s PRO 86 CO 0.25 0.04 -0.22 0.34 0.04 0.00 0.00 177.00 177.45 3dk0 n PHE 87 N -1.81 0.31 -2.46 0.56 7.35 -0.40 -5.02 117.46 116.00 3dk0 n PHE 87 Ca -0.03 0.13 -0.33 0.00 -0.76 0.00 0.00 57.45 56.46 3dk0 n PHE 87 Cb 0.57 -0.91 -0.03 0.00 0.35 0.00 0.00 39.48 39.46 3dk0 n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3dk0 s HIS 88 N -2.53 3.09 0.10 -5.13 3.76 -1.26 -4.98 115.29 108.35 3dk0 s HIS 88 Ca -0.33 1.56 -0.13 0.00 -0.15 0.00 0.00 55.06 56.01 3dk0 s HIS 88 Cb 0.10 -2.99 -0.14 0.00 1.11 0.00 0.00 32.58 30.66 3dk0 s HIS 88 CO 0.48 -0.74 1.33 0.93 -0.85 0.00 0.00 174.74 175.89 3dk0 h GLU 89 N 1.30 0.81 0.00 1.40 4.39 -1.98 -3.38 114.58 117.11 3dk0 h GLU 89 Ca -0.49 -0.61 0.05 0.00 0.34 0.00 0.00 59.36 58.65 3dk0 h GLU 89 Cb 1.21 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3dk0 h GLU 89 CO 0.59 1.23 0.22 -2.39 -1.16 0.00 0.00 179.01 177.50 3dk0 n HIS 90 N -3.98 -1.04 -4.66 4.33 1.44 -1.26 -3.49 115.22 106.56 3dk0 n HIS 90 Ca -0.07 -0.58 -0.29 0.00 -2.01 0.00 0.00 57.72 54.78 3dk0 n HIS 90 Cb 0.70 0.28 -0.17 0.00 0.12 0.00 0.00 29.99 30.93 3dk0 n HIS 90 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dk0 s ALA 91 N -1.43 1.73 0.01 1.59 0.00 -0.70 -4.88 121.76 118.08 3dk0 s ALA 91 Ca 0.09 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.39 3dk0 s ALA 91 Cb -0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 3dk0 s ALA 91 CO 0.03 0.05 -0.24 -1.21 0.00 0.00 0.00 175.76 174.38 3dk0 s GLU 92 N 0.77 1.81 -0.11 0.00 8.01 -1.26 -0.50 118.70 127.42 3dk0 s GLU 92 Ca -0.11 -0.93 0.00 0.00 0.01 0.00 0.00 54.97 53.94 3dk0 s GLU 92 Cb -0.16 -1.84 0.02 0.00 -4.31 0.00 0.00 34.13 27.84 3dk0 s GLU 92 CO 0.02 0.49 -0.09 0.08 0.01 0.00 0.00 175.26 175.77 3dk0 s VAL 93 N -0.66 1.07 -0.12 2.63 1.01 0.15 -4.97 120.40 119.50 3dk0 s VAL 93 Ca 0.10 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3dk0 s VAL 93 Cb -0.09 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.23 3dk0 s VAL 93 CO 0.00 0.37 -0.23 -0.69 0.00 0.00 0.00 175.10 174.55 3dk0 s VAL 94 N 1.50 2.06 0.08 2.92 1.01 -1.26 -0.40 120.40 126.31 3dk0 s VAL 94 Ca 0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3dk0 s VAL 94 Cb -0.13 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3dk0 s VAL 94 CO -0.06 0.55 0.29 0.72 0.00 0.00 0.00 175.10 176.60 3dk0 s PHE 95 N 0.62 -0.04 -0.17 5.22 -0.71 -0.57 -5.00 117.98 117.34 3dk0 s PHE 95 Ca -0.12 -0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 55.38 3dk0 s PHE 95 Cb -0.17 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3dk0 s PHE 95 CO 0.02 -0.56 0.41 0.99 -1.34 0.00 0.00 175.22 174.74 3dk0 s THR 96 N -3.24 5.21 0.10 -4.49 2.01 -1.26 -0.90 115.64 113.07 3dk0 s THR 96 Ca -0.00 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.78 3dk0 s THR 96 Cb 0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3dk0 s THR 96 CO -0.08 0.29 0.20 0.00 -0.69 0.00 0.00 174.62 174.35 3dk0 s ALA 97 N 0.97 3.86 -0.69 7.40 0.00 0.68 -4.75 121.76 129.24 3dk0 s ALA 97 Ca 0.21 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3dk0 s ALA 97 Cb -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3dk0 s ALA 97 CO 0.08 0.69 0.00 0.09 0.00 0.00 0.00 175.76 176.62 3dk0 n ASN 98 N -0.00 -5.53 -0.44 0.00 3.02 -1.26 -3.38 115.26 107.67 3dk0 n ASN 98 Ca -0.07 0.16 0.37 0.00 -0.03 0.00 0.00 54.58 55.01 3dk0 n ASN 98 Cb 0.52 -3.60 0.69 0.00 -0.61 0.00 0.00 39.78 36.78 3dk0 n ASN 98 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3dk0 h ASP 99 N 0.00 0.17 -2.24 6.41 5.19 -1.95 1.67 116.42 125.67 3dk0 h ASP 99 Ca -0.13 0.06 -0.60 0.00 -0.62 0.00 0.00 57.03 55.74 3dk0 h ASP 99 Cb 1.01 0.05 -0.42 0.00 0.18 0.00 0.00 39.33 40.14 3dk0 h ASP 99 CO 0.19 -0.05 -0.57 -1.20 -3.12 0.00 0.00 179.24 174.49 3dk0 n SER 100 N -4.39 4.13 -0.87 6.45 7.64 -1.26 -5.06 113.62 120.25 3dk0 n SER 100 Ca 0.33 -3.54 0.05 0.00 1.01 0.00 0.00 58.87 56.72 3dk0 n SER 100 Cb 1.39 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.92 3dk0 n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dk0 n GLY 101 N 0.42 -3.32 3.70 0.23 0.00 0.57 -4.94 105.19 101.86 3dk0 n GLY 101 Ca 0.30 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 3dk0 n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dk0 s PRO 102 N -4.32 1.29 0.00 1.61 0.02 -1.25 -4.30 135.00 128.05 3dk0 s PRO 102 Ca 0.00 1.05 0.00 0.00 0.02 0.00 0.00 61.00 62.07 3dk0 s PRO 102 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.73 3dk0 s PRO 102 CO 0.00 -2.28 0.00 0.54 -0.33 0.00 0.00 177.00 174.93 3dk0 n ARG 103 N -3.94 0.00 -4.21 5.54 5.12 -1.26 -5.03 116.66 112.88 3dk0 n ARG 103 Ca 0.08 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.75 3dk0 n ARG 103 Cb 0.54 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.67 3dk0 n ARG 103 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3dk0 s ARG 104 N 2.48 1.42 -0.19 5.56 1.81 -1.09 -4.83 118.95 124.11 3dk0 s ARG 104 Ca 0.00 -0.27 -0.04 0.00 -1.72 0.00 0.00 55.73 53.70 3dk0 s ARG 104 Cb 0.00 -1.35 -0.02 0.00 -0.45 0.00 0.00 34.95 33.13 3dk0 s ARG 104 CO 0.00 -0.12 -0.03 0.71 -0.68 0.00 0.00 175.30 175.17 3dk0 s TYR 105 N 1.18 2.99 -0.17 -0.53 1.51 -0.37 -2.24 117.35 119.72 3dk0 s TYR 105 Ca -0.05 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 3dk0 s TYR 105 Cb -0.14 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 3dk0 s TYR 105 CO -0.02 -0.27 -0.19 0.99 -1.11 0.00 0.00 175.55 174.95 3dk0 s THR 106 N 0.92 2.25 -0.31 -0.71 2.01 -0.34 -0.95 115.64 118.50 3dk0 s THR 106 Ca -0.00 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.02 3dk0 s THR 106 Cb -0.15 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.42 3dk0 s THR 106 CO 0.01 0.53 0.15 -0.63 -0.69 0.00 0.00 174.62 173.99 3dk0 s ILE 107 N 1.12 4.50 -0.03 1.82 -1.09 0.06 -0.93 121.20 126.66 3dk0 s ILE 107 Ca 0.01 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 3dk0 s ILE 107 Cb -0.14 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 3dk0 s ILE 107 CO -0.08 0.04 0.07 0.00 -1.23 0.00 0.00 174.94 173.74 3dk0 s ALA 108 N 1.59 3.53 -0.05 9.38 0.00 -0.49 -1.32 121.76 134.42 3dk0 s ALA 108 Ca 0.04 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3dk0 s ALA 108 Cb -0.17 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.39 3dk0 s ALA 108 CO 0.06 0.66 -0.02 0.00 0.00 0.00 0.00 175.76 176.46 3dk0 s ALA 109 N -1.11 0.57 -0.20 0.00 0.00 -0.11 -2.39 121.76 118.52 3dk0 s ALA 109 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 3dk0 s ALA 109 Cb -0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3dk0 s ALA 109 CO 0.10 -0.13 -0.02 -1.17 0.00 0.00 0.00 175.76 174.54 3dk0 s LEU 110 N 1.18 3.12 -0.12 0.00 2.96 -0.27 -1.06 118.68 124.49 3dk0 s LEU 110 Ca -0.07 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3dk0 s LEU 110 Cb -0.14 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3dk0 s LEU 110 CO -0.02 0.05 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.18 3dk0 s LEU 111 N 1.04 2.74 0.19 -0.68 1.43 -0.04 -1.92 118.68 121.45 3dk0 s LEU 111 Ca 0.01 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3dk0 s LEU 111 Cb -0.14 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3dk0 s LEU 111 CO 0.01 0.20 -0.11 -0.44 0.23 0.00 0.00 176.35 176.24 3dk0 s SER 112 N 0.16 2.19 0.26 2.29 0.01 0.28 -0.77 113.70 118.12 3dk0 s SER 112 Ca -0.07 -1.04 -0.02 0.00 1.31 0.00 0.00 55.95 56.13 3dk0 s SER 112 Cb -0.15 -0.07 0.51 0.00 0.21 0.00 0.00 66.02 66.52 3dk0 s SER 112 CO 0.05 -0.28 1.76 -0.65 0.41 0.00 0.00 173.24 174.53 3dk0 h PRO 113 N 2.63 0.59 -0.22 12.44 0.11 -1.98 -2.98 132.00 142.58 3dk0 h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3dk0 h PRO 113 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dk0 h PRO 113 CO 0.63 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.47 3dk0 n TYR 114 N -4.88 0.68 -3.55 0.65 4.02 -1.26 -1.27 117.16 111.54 3dk0 n TYR 114 Ca 0.16 -0.82 -0.16 0.00 -0.01 0.00 0.00 57.90 57.07 3dk0 n TYR 114 Cb 0.42 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 3dk0 n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dk0 s SER 115 N -1.91 -0.55 0.02 7.72 0.15 -1.13 -5.00 113.70 113.00 3dk0 s SER 115 Ca 0.36 0.49 -0.12 0.00 0.70 0.00 0.00 55.95 57.38 3dk0 s SER 115 Cb 0.28 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 65.11 3dk0 s SER 115 CO 0.09 -0.63 0.25 -0.72 1.20 0.00 0.00 173.24 173.42 3dk0 s TYR 116 N -1.60 -0.06 0.08 3.44 -0.85 -1.26 -0.56 117.35 116.54 3dk0 s TYR 116 Ca -0.10 -0.03 0.07 0.00 -0.52 0.00 0.00 57.07 56.50 3dk0 s TYR 116 Cb -0.01 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 3dk0 s TYR 116 CO 0.06 -0.41 -0.18 0.45 -1.52 0.00 0.00 175.55 173.95 3dk0 s SER 117 N -1.73 2.15 0.00 -0.18 0.15 -0.81 -4.99 113.70 108.29 3dk0 s SER 117 Ca -0.09 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 55.96 3dk0 s SER 117 Cb -0.03 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.16 3dk0 s SER 117 CO -0.00 0.03 -0.03 0.28 1.20 0.00 0.00 173.24 174.72 3dk0 s THR 118 N -1.10 0.23 0.03 6.45 -1.32 -1.26 -1.11 115.64 117.56 3dk0 s THR 118 Ca 0.03 -0.18 -0.02 0.00 -1.21 0.00 0.00 61.69 60.31 3dk0 s THR 118 Cb -0.10 -0.21 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 3dk0 s THR 118 CO 0.03 0.03 0.02 0.28 -2.21 0.00 0.00 174.62 172.77 3dk0 s THR 119 N -0.17 0.14 -0.10 5.08 -1.32 -1.00 -5.01 115.64 113.25 3dk0 s THR 119 Ca 0.00 -1.13 0.01 0.00 -1.21 0.00 0.00 61.69 59.37 3dk0 s THR 119 Cb -0.02 -0.71 -0.02 0.00 -1.51 0.00 0.00 72.50 70.25 3dk0 s THR 119 CO -0.00 -0.62 -0.15 0.00 -2.21 0.00 0.00 174.62 171.64 3dk0 s ALA 120 N -2.28 2.56 -0.22 11.08 0.00 -1.26 -1.39 121.76 130.24 3dk0 s ALA 120 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3dk0 s ALA 120 Cb -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3dk0 s ALA 120 CO -0.04 0.33 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 3dk0 s VAL 121 N 0.08 2.43 -0.27 0.00 1.01 -0.11 -4.99 120.40 118.56 3dk0 s VAL 121 Ca -0.06 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 3dk0 s VAL 121 Cb -0.15 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3dk0 s VAL 121 CO 0.05 0.28 0.08 -0.69 0.00 0.00 0.00 175.10 174.82 3dk0 s VAL 122 N 1.27 4.21 0.08 2.92 1.01 -1.26 -1.20 120.40 127.42 3dk0 s VAL 122 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3dk0 s VAL 122 Cb -0.16 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3dk0 s VAL 122 CO -0.08 0.23 -0.25 0.42 0.00 0.00 0.00 175.10 175.43 3dk0 s THR 123 N 1.58 2.03 -0.27 3.92 -4.23 -0.95 -4.99 115.64 112.73 3dk0 s THR 123 Ca 0.05 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3dk0 s THR 123 Cb -0.16 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 3dk0 s THR 123 CO 0.03 0.21 1.61 0.20 -0.54 0.00 0.00 174.62 176.13 3dk0 s ASN 124 N -1.54 6.30 0.00 3.99 0.02 -1.26 -2.68 114.94 119.76 3dk0 s ASN 124 Ca 0.11 1.44 0.00 0.00 -1.02 0.00 0.00 52.86 53.38 3dk0 s ASN 124 Cb -0.10 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.64 3dk0 s ASN 124 CO 0.03 -1.36 0.22 -2.65 0.02 0.00 0.00 177.10 173.36