#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ull n GLU 11 N 0.00 1.36 -2.54 1.96 2.13 -1.26 -4.98 120.64 117.30 3ull n GLU 11 Ca 0.00 0.38 -0.40 0.00 0.66 0.00 0.00 57.16 57.80 3ull n GLU 11 Cb 0.00 -2.64 -0.05 0.00 0.27 0.00 0.00 31.44 29.02 3ull n GLU 11 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3ull s ARG 12 N 6.03 4.69 0.28 5.31 1.81 -1.26 -5.07 118.95 130.75 3ull s ARG 12 Ca 1.06 1.72 0.04 0.00 -1.72 0.00 0.00 55.73 56.84 3ull s ARG 12 Cb -0.73 -3.22 -0.06 0.00 -0.45 0.00 0.00 34.95 30.49 3ull s ARG 12 CO 0.47 0.28 0.02 -1.12 -0.68 0.00 0.00 175.30 174.27 3ull s SER 13 N -0.92 2.16 -0.04 0.23 0.01 -1.26 -5.15 113.70 108.73 3ull s SER 13 Ca 0.44 -1.29 0.02 0.00 1.31 0.00 0.00 55.95 56.43 3ull s SER 13 Cb -0.30 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 65.89 3ull s SER 13 CO 0.39 -0.54 -0.10 -0.22 0.41 0.00 0.00 173.24 173.18 3ull s LEU 14 N -3.40 1.68 -0.37 2.44 0.20 -1.26 -5.06 118.68 112.92 3ull s LEU 14 Ca 0.32 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.95 3ull s LEU 14 Cb 0.07 -0.65 0.16 0.00 -0.43 0.00 0.00 46.19 45.34 3ull s LEU 14 CO 0.12 0.05 0.39 0.21 -0.29 0.00 0.00 176.35 176.83 3ull s ASN 15 N 0.42 0.94 -0.05 3.68 3.84 -1.26 -5.13 114.94 117.39 3ull s ASN 15 Ca -0.08 -1.45 0.01 0.00 0.21 0.00 0.00 52.86 51.56 3ull s ASN 15 Cb -0.12 0.69 0.02 0.00 -0.55 0.00 0.00 41.25 41.29 3ull s ASN 15 CO 0.01 -0.26 -0.06 -0.60 -2.79 0.00 0.00 177.10 173.40 3ull s ARG 16 N 1.53 1.01 -0.01 0.43 3.52 -1.26 -4.45 118.95 119.72 3ull s ARG 16 Ca 0.16 -0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 3ull s ARG 16 Cb -0.14 -0.95 -0.03 0.00 -1.56 0.00 0.00 34.95 32.27 3ull s ARG 16 CO -0.06 -0.05 -0.15 0.14 -0.81 0.00 0.00 175.30 174.37 3ull s VAL 17 N 0.84 2.97 -0.20 7.11 -7.23 -0.66 -5.00 120.40 118.24 3ull s VAL 17 Ca -0.12 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 3ull s VAL 17 Cb -0.15 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.61 3ull s VAL 17 CO 0.01 0.48 -0.16 -1.00 -0.31 0.00 0.00 175.10 174.12 3ull s HIS 18 N -0.82 2.85 0.10 2.82 0.09 -1.26 -1.92 115.29 117.15 3ull s HIS 18 Ca 0.13 -1.55 0.07 0.00 -0.00 0.00 0.00 55.06 53.72 3ull s HIS 18 Cb -0.11 -1.96 -0.03 0.00 -0.00 0.00 0.00 32.58 30.48 3ull s HIS 18 CO 0.03 -0.76 -0.18 -0.51 -0.00 0.00 0.00 174.74 173.32 3ull s LEU 19 N 1.32 2.30 -0.20 0.89 1.43 0.20 -4.98 118.68 119.63 3ull s LEU 19 Ca 0.04 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 3ull s LEU 19 Cb -0.14 -0.75 0.10 0.00 0.03 0.00 0.00 46.19 45.43 3ull s LEU 19 CO -0.10 0.00 0.38 -0.22 0.23 0.00 0.00 176.35 176.64 3ull s LEU 20 N -1.90 -0.59 0.00 1.79 2.96 -1.26 -0.46 118.68 119.22 3ull s LEU 20 Ca 0.04 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 3ull s LEU 20 Cb -0.10 1.17 0.00 0.00 0.50 0.00 0.00 46.19 47.77 3ull s LEU 20 CO 0.04 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3ull n GLY 21 N 5.38 1.42 3.76 7.98 0.00 -0.98 -4.81 105.19 117.94 3ull n GLY 21 Ca -0.07 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 3ull n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ull s ARG 22 N -1.04 3.87 0.09 1.61 1.81 -1.09 -0.29 118.95 123.91 3ull s ARG 22 Ca 0.00 -0.22 -0.31 0.00 -1.72 0.00 0.00 55.73 53.48 3ull s ARG 22 Cb 0.00 -3.29 -0.07 0.00 -0.45 0.00 0.00 34.95 31.14 3ull s ARG 22 CO 0.00 0.46 1.35 0.08 -0.68 0.00 0.00 175.30 176.52 3ull s VAL 23 N -0.12 3.50 -0.15 3.52 1.01 0.63 -1.09 120.40 127.70 3ull s VAL 23 Ca 0.10 1.06 0.19 0.00 0.00 0.00 0.00 61.98 63.33 3ull s VAL 23 Cb -0.12 -3.68 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 3ull s VAL 23 CO 0.00 0.07 0.79 0.61 0.00 0.00 0.00 175.10 176.58 3ull n GLY 24 N 3.46 -1.23 3.09 4.51 0.00 0.43 0.14 105.19 115.59 3ull n GLY 24 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 3ull n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ull s GLN 25 N -3.08 0.45 -0.00 1.61 -2.07 -1.25 -4.75 119.66 110.57 3ull s GLN 25 Ca -0.03 -0.36 -0.30 0.00 -1.82 0.00 0.00 55.36 52.84 3ull s GLN 25 Cb 0.09 0.18 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 3ull s GLN 25 CO 0.82 -0.10 1.36 -0.51 -1.32 0.00 0.00 175.29 175.53 3ull s ASP 26 N -1.27 6.89 0.27 12.60 1.01 -1.26 -4.43 116.67 130.48 3ull s ASP 26 Ca -0.14 2.06 -0.30 0.00 0.71 0.00 0.00 52.55 54.89 3ull s ASP 26 Cb -0.07 -2.56 -0.14 0.00 1.01 0.00 0.00 42.92 41.16 3ull s ASP 26 CO 0.01 -0.68 1.24 -2.65 0.21 0.00 0.00 175.17 173.30 3ull n PRO 27 N 5.23 1.76 -4.23 8.23 -0.02 -1.26 -4.98 135.00 139.73 3ull n PRO 27 Ca 0.12 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 3ull n PRO 27 Cb 0.44 -2.16 -0.13 0.00 -0.02 0.00 0.00 33.50 31.62 3ull n PRO 27 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3ull s VAL 28 N -0.60 3.56 -0.52 -1.45 -7.23 -0.59 -4.93 120.40 108.64 3ull s VAL 28 Ca 0.63 -0.45 -0.27 0.00 -1.81 0.00 0.00 61.98 60.07 3ull s VAL 28 Cb -0.67 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 33.72 3ull s VAL 28 CO 0.56 0.46 1.09 -0.76 -0.31 0.00 0.00 175.10 176.14 3ull s LEU 29 N 0.89 3.70 0.35 1.32 1.43 -1.26 -1.85 118.68 123.25 3ull s LEU 29 Ca -0.01 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3ull s LEU 29 Cb -0.15 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3ull s LEU 29 CO 0.01 -1.30 0.20 -0.13 0.23 0.00 0.00 176.35 175.36 3ull s ARG 30 N 4.45 2.45 -0.17 1.70 1.81 -0.26 -5.02 118.95 123.91 3ull s ARG 30 Ca 0.42 -1.52 -0.04 0.00 -1.72 0.00 0.00 55.73 52.87 3ull s ARG 30 Cb -0.08 -2.24 0.07 0.00 -0.45 0.00 0.00 34.95 32.25 3ull s ARG 30 CO 0.27 0.06 0.15 -1.14 -0.68 0.00 0.00 175.30 173.96 3ull s GLN 31 N -3.91 0.10 0.08 3.54 0.74 -1.26 -1.88 119.66 117.07 3ull s GLN 31 Ca 0.40 0.13 -0.31 0.00 0.05 0.00 0.00 55.36 55.63 3ull s GLN 31 Cb -0.03 -1.33 -0.06 0.00 1.10 0.00 0.00 33.01 32.69 3ull s GLN 31 CO 0.24 -0.60 1.21 0.08 -0.55 0.00 0.00 175.29 175.67 3ull s VAL 32 N 2.23 3.93 0.00 1.34 1.01 -0.62 -4.80 120.40 123.50 3ull s VAL 32 Ca 0.04 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3ull s VAL 32 Cb -0.15 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3ull s VAL 32 CO -0.09 0.12 0.00 -0.62 0.00 0.00 0.00 175.10 174.51 3ull n GLU 33 N 3.80 0.00 0.07 2.72 1.02 -1.26 -2.78 120.64 124.21 3ull n GLU 33 Ca 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 3ull n GLU 33 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.83 3ull n GLU 33 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ull h GLY 34 N 0.00 -0.29 -7.15 0.62 0.00 -2.06 -3.45 103.07 90.74 3ull h GLY 34 Ca 0.00 0.11 -0.46 0.00 0.00 0.00 0.00 47.33 46.98 3ull h GLY 34 CO 0.00 -0.10 -0.76 0.54 0.00 0.00 0.00 176.54 176.22 3ull s LYS 35 N -2.96 0.30 -0.32 4.80 1.02 -1.24 -5.04 119.74 116.30 3ull s LYS 35 Ca -0.09 -0.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.71 3ull s LYS 35 Cb 0.00 -1.61 0.19 0.00 -0.52 0.00 0.00 37.83 35.89 3ull s LYS 35 CO 0.32 -0.56 1.03 1.21 -0.92 0.00 0.00 175.35 176.42 3ull s ASN 36 N 2.03 -0.41 0.14 2.83 2.47 -1.12 -4.93 114.94 115.96 3ull s ASN 36 Ca 0.02 -0.11 -0.31 0.00 0.42 0.00 0.00 52.86 52.88 3ull s ASN 36 Cb -0.15 0.79 -0.08 0.00 -1.45 0.00 0.00 41.25 40.36 3ull s ASN 36 CO -0.07 -0.06 1.34 -2.84 -3.72 0.00 0.00 177.10 171.75 3ull s PRO 37 N 2.33 4.36 -0.02 0.43 0.02 -1.26 -1.58 135.00 139.28 3ull s PRO 37 Ca 0.19 2.03 -0.03 0.00 0.02 0.00 0.00 61.00 63.22 3ull s PRO 37 Cb 0.01 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3ull s PRO 37 CO -0.18 -0.34 0.07 0.08 -0.33 0.00 0.00 177.00 176.30 3ull s VAL 38 N 0.70 0.03 -0.06 3.83 1.01 -0.79 -4.46 120.40 120.66 3ull s VAL 38 Ca 0.61 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3ull s VAL 38 Cb -0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3ull s VAL 38 CO 0.33 -0.13 -0.10 -0.89 0.00 0.00 0.00 175.10 174.31 3ull s THR 39 N -0.37 3.42 -0.02 3.92 2.01 -0.99 -1.10 115.64 122.50 3ull s THR 39 Ca -0.04 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.39 3ull s THR 39 Cb -0.03 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.11 3ull s THR 39 CO 0.00 0.59 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 3ull s ILE 40 N -0.75 0.58 0.30 1.82 1.01 -0.77 -1.14 121.20 122.24 3ull s ILE 40 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.51 3ull s ILE 40 Cb -0.11 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 3ull s ILE 40 CO 0.01 0.20 0.36 0.72 0.00 0.00 0.00 174.94 176.23 3ull s PHE 41 N 0.31 1.13 0.15 3.97 -0.71 -0.99 -1.54 117.98 120.28 3ull s PHE 41 Ca -0.04 -1.31 0.09 0.00 -1.04 0.00 0.00 56.93 54.64 3ull s PHE 41 Cb -0.08 -0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 3ull s PHE 41 CO 0.00 -0.96 -0.17 -1.54 -1.34 0.00 0.00 175.22 171.21 3ull s SER 42 N -3.22 3.90 -0.03 1.98 1.04 -1.26 0.63 113.70 116.74 3ull s SER 42 Ca 0.33 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3ull s SER 42 Cb 0.02 -0.54 0.03 0.00 0.10 0.00 0.00 66.02 65.62 3ull s SER 42 CO 0.19 0.15 -0.01 -0.22 0.98 0.00 0.00 173.24 174.33 3ull s LEU 43 N -2.40 1.18 -0.15 2.42 2.96 -0.70 -0.43 118.68 121.56 3ull s LEU 43 Ca 0.20 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 3ull s LEU 43 Cb -0.10 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.29 3ull s LEU 43 CO 0.11 -0.09 0.34 0.00 -1.32 0.00 0.00 176.35 175.39 3ull s ALA 44 N 1.02 3.56 0.13 5.97 0.00 -0.25 -0.16 121.76 132.03 3ull s ALA 44 Ca -0.10 -0.39 0.09 0.00 0.00 0.00 0.00 51.96 51.57 3ull s ALA 44 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 3ull s ALA 44 CO -0.01 0.07 -0.22 0.95 0.00 0.00 0.00 175.76 176.55 3ull s THR 45 N 0.50 1.93 -0.05 0.00 -4.23 0.30 -2.68 115.64 111.41 3ull s THR 45 Ca 0.19 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 58.86 3ull s THR 45 Cb -0.13 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.94 3ull s THR 45 CO 0.05 -0.08 0.27 0.54 -0.54 0.00 0.00 174.62 174.86 3ull s ASN 46 N -2.18 -0.20 0.05 3.99 6.03 -1.26 0.23 114.94 121.60 3ull s ASN 46 Ca 0.12 0.24 0.07 0.00 -1.03 0.00 0.00 52.86 52.26 3ull s ASN 46 Cb -0.09 0.41 -0.03 0.00 -3.03 0.00 0.00 41.25 38.52 3ull s ASN 46 CO 0.06 -0.29 -0.20 -1.61 -2.03 0.00 0.00 177.10 173.03 3ull s GLU 47 N -0.71 1.34 -0.19 3.55 0.41 -0.55 -5.00 118.70 117.55 3ull s GLU 47 Ca -0.08 -0.95 -0.03 0.00 -0.41 0.00 0.00 54.97 53.50 3ull s GLU 47 Cb -0.04 -1.46 -0.01 0.00 -1.78 0.00 0.00 34.13 30.84 3ull s GLU 47 CO 0.02 0.37 -0.07 1.41 -0.49 0.00 0.00 175.26 176.50 3ull s MET 48 N -1.25 3.41 0.19 1.61 0.00 -1.26 -2.88 119.30 119.12 3ull s MET 48 Ca 0.07 -0.63 0.05 0.00 0.00 0.00 0.00 55.69 55.18 3ull s MET 48 Cb -0.09 -2.90 -0.04 0.00 0.00 0.00 0.00 34.83 31.81 3ull s MET 48 CO 0.02 -0.04 0.23 -0.46 0.00 0.00 0.00 175.02 174.78 3ull s TRP 49 N 1.05 3.31 -0.85 4.11 -0.11 -1.26 -5.08 118.94 120.10 3ull s TRP 49 Ca 0.00 0.01 -0.19 0.00 1.22 0.00 0.00 56.10 57.14 3ull s TRP 49 Cb -0.15 -1.55 0.12 0.00 -1.50 0.00 0.00 33.47 30.39 3ull s TRP 49 CO -0.00 0.50 1.06 0.50 -4.62 0.00 0.00 176.95 174.39 3ull s ARG 50 N -3.43 3.46 0.00 5.86 3.52 -1.26 -5.12 118.95 121.98 3ull s ARG 50 Ca 0.33 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 54.38 3ull s ARG 50 Cb -0.10 -4.72 0.00 0.00 -1.56 0.00 0.00 34.95 28.57 3ull s ARG 50 CO 0.26 -1.76 0.00 0.45 -0.81 0.00 0.00 175.30 173.44 3ull n SER 51 N 6.73 0.00 0.00 -2.12 2.88 -1.26 -5.40 113.62 114.45 3ull n SER 51 Ca 0.16 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3ull n SER 51 Cb 0.48 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 3ull n SER 51 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3ull n LYS 65 N -2.22 0.00 -3.75 -1.46 4.01 -1.14 -5.34 118.16 108.26 3ull n LYS 65 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 3ull n LYS 65 Cb 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 3ull n LYS 65 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3ull s THR 66 N 0.00 5.35 -0.20 -0.18 2.01 -1.26 -1.48 115.64 119.88 3ull s THR 66 Ca 0.00 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 3ull s THR 66 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3ull s THR 66 CO 0.00 0.43 0.01 -0.89 -0.69 0.00 0.00 174.62 173.49 3ull s THR 67 N 0.43 4.13 -0.25 -0.82 2.01 0.14 -4.97 115.64 116.31 3ull s THR 67 Ca 0.07 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 3ull s THR 67 Cb -0.11 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 3ull s THR 67 CO -0.01 0.43 0.12 0.26 -0.69 0.00 0.00 174.62 174.73 3ull s TRP 68 N 0.87 3.18 -0.07 4.92 0.52 -1.26 -0.54 118.94 126.56 3ull s TRP 68 Ca 0.01 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.04 3ull s TRP 68 Cb -0.14 -2.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 3ull s TRP 68 CO 0.02 -0.18 -0.10 -1.01 0.02 0.00 0.00 176.95 175.71 3ull s HIS 69 N 1.42 2.84 -0.08 -1.98 3.76 0.77 -4.96 115.29 117.07 3ull s HIS 69 Ca 0.06 -0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 3ull s HIS 69 Cb -0.15 -1.70 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 3ull s HIS 69 CO 0.06 0.22 0.43 0.50 -0.85 0.00 0.00 174.74 175.10 3ull s ARG 70 N -0.64 4.20 -0.04 1.40 3.52 -1.26 -1.73 118.95 124.41 3ull s ARG 70 Ca 0.10 0.40 0.05 0.00 -0.13 0.00 0.00 55.73 56.14 3ull s ARG 70 Cb -0.11 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3ull s ARG 70 CO 0.01 0.34 -0.17 0.42 -0.81 0.00 0.00 175.30 175.10 3ull s ILE 71 N 0.05 2.86 -0.19 4.11 -1.09 0.20 -2.38 121.20 124.76 3ull s ILE 71 Ca 0.24 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3ull s ILE 71 Cb -0.15 -2.11 0.01 0.00 -1.58 0.00 0.00 42.46 38.63 3ull s ILE 71 CO 0.11 0.57 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.80 3ull s SER 72 N -0.77 3.56 -0.51 3.58 0.01 -1.06 -2.36 113.70 116.17 3ull s SER 72 Ca 0.11 -0.55 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 3ull s SER 72 Cb -0.10 -1.57 0.13 0.00 0.21 0.00 0.00 66.02 64.68 3ull s SER 72 CO 0.01 0.01 0.36 -0.69 0.41 0.00 0.00 173.24 173.34 3ull s VAL 73 N 1.28 4.10 -0.22 3.43 1.01 -0.29 -1.06 120.40 128.64 3ull s VAL 73 Ca 0.04 -2.03 0.21 0.00 0.00 0.00 0.00 61.98 60.20 3ull s VAL 73 Cb -0.14 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ull s VAL 73 CO -0.08 -0.79 1.05 -0.26 0.00 0.00 0.00 175.10 175.02 3ull h PHE 74 N 8.17 0.00 -1.69 5.22 -1.00 -1.81 -2.62 116.94 123.20 3ull h PHE 74 Ca -0.15 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 59.94 3ull h PHE 74 Cb 1.05 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.65 3ull h PHE 74 CO 0.66 0.15 0.63 0.54 -1.61 0.00 0.00 178.31 178.68 3ull n ARG 75 N -2.78 1.26 -0.37 1.51 5.12 -1.26 -4.79 116.66 115.35 3ull n ARG 75 Ca -0.02 0.46 0.30 0.00 -1.93 0.00 0.00 57.85 56.66 3ull n ARG 75 Cb 0.62 -2.13 0.61 0.00 -1.16 0.00 0.00 32.46 30.40 3ull n ARG 75 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3ull h PRO 76 N 5.60 0.21 0.00 5.56 0.11 -1.94 -1.81 132.00 139.73 3ull h PRO 76 Ca -0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3ull h PRO 76 Cb 1.32 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3ull h PRO 76 CO 0.84 0.14 -1.53 0.41 -0.21 0.00 0.00 178.00 177.65 3ull n GLY 77 N -1.56 -0.13 0.38 -0.55 0.00 -1.26 -4.68 105.19 97.39 3ull n GLY 77 Ca 0.29 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.41 3ull n GLY 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ull h LEU 78 N -0.01 0.35 -0.95 0.99 6.46 -1.86 -2.22 115.31 118.07 3ull h LEU 78 Ca -0.21 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.47 3ull h LEU 78 Cb 1.32 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 3ull h LEU 78 CO -0.03 0.18 -0.41 0.08 -0.62 0.00 0.00 178.44 177.64 3ull h ARG 79 N 0.37 0.23 0.35 1.25 0.11 -1.57 -1.83 114.38 113.29 3ull h ARG 79 Ca 0.37 -0.11 -0.02 0.00 0.10 0.00 0.00 59.98 60.32 3ull h ARG 79 Cb 0.90 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 3ull h ARG 79 CO -0.11 0.61 -0.17 -0.44 0.10 0.00 0.00 179.97 179.96 3ull h ASP 80 N 0.20 -0.39 -0.73 0.08 3.32 -1.68 -1.95 116.42 115.27 3ull h ASP 80 Ca 0.02 -0.16 0.15 0.00 0.02 0.00 0.00 57.03 57.06 3ull h ASP 80 Cb 0.81 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.35 3ull h ASP 80 CO 0.06 0.02 0.20 0.58 -1.72 0.00 0.00 179.24 178.39 3ull h VAL 81 N -0.90 0.56 0.00 -1.35 2.07 -1.39 -0.61 116.25 114.63 3ull h VAL 81 Ca -0.05 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3ull h VAL 81 Cb 0.53 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3ull h VAL 81 CO 0.08 0.06 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 3ull h ALA 82 N 1.58 0.97 -0.01 1.67 0.00 -1.33 0.28 119.26 122.42 3ull h ALA 82 Ca 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ull h ALA 82 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ull h ALA 82 CO -0.48 0.28 -0.11 -0.92 0.00 0.00 0.00 179.25 178.03 3ull h TYR 83 N 0.00 0.12 0.71 0.00 3.20 -0.39 -0.61 116.97 120.00 3ull h TYR 83 Ca -0.00 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 3ull h TYR 83 Cb 0.84 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3ull h TYR 83 CO 0.00 0.81 -0.48 1.96 -1.64 0.00 0.00 178.16 178.81 3ull h GLN 84 N -0.60 -1.08 -0.00 1.82 4.20 -0.93 -3.36 115.11 115.16 3ull h GLN 84 Ca -0.01 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ull h GLN 84 Cb 0.83 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3ull h GLN 84 CO 0.02 -0.72 -0.79 0.66 -0.67 0.00 0.00 178.83 177.33 3ull n TYR 85 N -5.43 0.00 -2.81 2.96 4.01 0.95 -4.87 117.16 111.97 3ull n TYR 85 Ca -0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.18 3ull n TYR 85 Cb 0.47 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 3ull n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ull s VAL 86 N -2.86 4.83 0.11 -0.72 1.01 -0.24 -5.02 120.40 117.52 3ull s VAL 86 Ca 0.12 1.78 0.09 0.00 0.00 0.00 0.00 61.98 63.97 3ull s VAL 86 Cb 0.17 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3ull s VAL 86 CO 0.77 -0.01 -0.23 -0.54 0.00 0.00 0.00 175.10 175.09 3ull s LYS 87 N 2.27 1.24 0.39 2.72 3.01 -1.26 -4.35 119.74 123.76 3ull s LYS 87 Ca 0.41 -1.23 -0.27 0.00 -1.01 0.00 0.00 55.97 53.88 3ull s LYS 87 Cb -0.17 -1.59 -0.11 0.00 -1.01 0.00 0.00 37.83 34.96 3ull s LYS 87 CO 0.13 0.37 1.28 1.17 0.51 0.00 0.00 175.35 178.81 3ull n LYS 88 N 1.04 2.03 -0.68 1.68 4.81 -1.26 -2.41 118.16 123.36 3ull n LYS 88 Ca -0.19 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3ull n LYS 88 Cb 0.53 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.22 3ull n LYS 88 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ull n GLY 89 N 0.79 1.13 3.75 3.14 0.00 0.37 -4.95 105.19 109.41 3ull n GLY 89 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3ull n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ull s SER 90 N -2.95 5.15 -0.16 1.61 0.01 -1.01 -4.58 113.70 111.76 3ull s SER 90 Ca 0.00 2.69 -0.19 0.00 1.31 0.00 0.00 55.95 59.76 3ull s SER 90 Cb 0.00 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3ull s SER 90 CO 0.00 -1.65 0.51 -0.60 0.41 0.00 0.00 173.24 171.92 3ull s ARG 91 N -3.04 4.27 0.14 12.44 3.52 -1.26 -0.27 118.95 134.75 3ull s ARG 91 Ca 0.74 0.46 0.07 0.00 -0.13 0.00 0.00 55.73 56.88 3ull s ARG 91 Cb -0.39 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 3ull s ARG 91 CO 0.44 -0.01 -0.17 0.42 -0.81 0.00 0.00 175.30 175.18 3ull s ILE 92 N 1.16 1.60 -0.05 4.11 -1.09 0.61 -3.28 121.20 124.25 3ull s ILE 92 Ca 0.26 -1.79 0.05 0.00 -2.23 0.00 0.00 60.65 56.94 3ull s ILE 92 Cb -0.15 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 3ull s ILE 92 CO 0.10 -0.32 -0.18 -0.47 -1.23 0.00 0.00 174.94 172.83 3ull s TYR 93 N -1.97 2.59 0.02 3.97 5.04 -0.42 -2.31 117.35 124.26 3ull s TYR 93 Ca 0.12 -0.36 -0.14 0.00 -2.44 0.00 0.00 57.07 54.25 3ull s TYR 93 Cb -0.06 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.65 3ull s TYR 93 CO 0.05 0.03 0.30 -0.48 -1.34 0.00 0.00 175.55 174.11 3ull s LEU 94 N -0.50 0.90 0.01 6.97 2.34 0.39 0.43 118.68 129.22 3ull s LEU 94 Ca 0.06 -0.07 0.08 0.00 0.06 0.00 0.00 54.13 54.26 3ull s LEU 94 Cb -0.12 1.29 -0.02 0.00 -0.56 0.00 0.00 46.19 46.78 3ull s LEU 94 CO 0.01 -0.53 -0.25 -1.61 -1.06 0.00 0.00 176.35 172.91 3ull s GLU 95 N -1.98 1.88 0.05 1.48 2.02 -0.43 0.58 118.70 122.30 3ull s GLU 95 Ca -0.09 -0.97 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 3ull s GLU 95 Cb -0.03 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.29 3ull s GLU 95 CO 0.00 0.51 0.10 0.41 0.02 0.00 0.00 175.26 176.30 3ull n GLY 96 N 2.17 2.02 3.29 -1.39 0.00 -0.81 -1.07 105.19 109.41 3ull n GLY 96 Ca -0.16 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3ull n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ull s LYS 97 N -2.03 1.97 0.31 1.61 -2.85 -0.70 -1.65 119.74 116.41 3ull s LYS 97 Ca 0.02 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 53.81 3ull s LYS 97 Cb -0.01 -1.93 -0.09 0.00 -2.06 0.00 0.00 37.83 33.74 3ull s LYS 97 CO 0.02 0.53 1.05 0.42 0.10 0.00 0.00 175.35 177.47 3ull s ILE 98 N -0.60 3.68 -0.06 3.79 1.01 -1.26 -1.12 121.20 126.63 3ull s ILE 98 Ca 0.10 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.30 3ull s ILE 98 Cb -0.10 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3ull s ILE 98 CO -0.01 0.26 -0.03 -0.62 0.00 0.00 0.00 174.94 174.55 3ull s ASP 99 N -1.17 1.23 0.01 3.58 2.15 0.48 -4.92 116.67 118.03 3ull s ASP 99 Ca 0.48 -0.12 0.29 0.00 0.43 0.00 0.00 52.55 53.63 3ull s ASP 99 Cb -0.27 -0.46 1.19 0.00 -0.30 0.00 0.00 42.92 43.08 3ull s ASP 99 CO 0.35 -0.11 1.91 -1.22 -0.17 0.00 0.00 175.17 175.92 3ull n TYR 100 N 4.51 0.06 -2.83 -5.34 4.01 -1.26 -0.27 117.16 116.04 3ull n TYR 100 Ca -0.18 0.02 -0.19 0.00 -0.16 0.00 0.00 57.90 57.39 3ull n TYR 100 Cb 0.50 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3ull n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ull n GLY 101 N 1.49 -0.50 3.68 2.72 0.00 -1.19 -2.37 105.19 109.02 3ull n GLY 101 Ca 0.07 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 3ull n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ull n GLU 102 N -3.38 2.42 -3.94 1.61 1.02 -1.25 -3.52 120.64 113.59 3ull n GLU 102 Ca -0.12 0.88 -0.09 0.00 -0.02 0.00 0.00 57.16 57.81 3ull n GLU 102 Cb 0.61 -2.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.20 3ull n GLU 102 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3ull s TYR 103 N 2.69 0.21 -0.38 -0.32 1.13 -0.65 -4.94 117.35 115.09 3ull s TYR 103 Ca 0.85 -0.48 -0.19 0.00 -1.41 0.00 0.00 57.07 55.84 3ull s TYR 103 Cb -0.60 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.10 3ull s TYR 103 CO 0.42 -0.30 0.53 -1.64 -2.51 0.00 0.00 175.55 172.05 3ull s MET 104 N -2.16 3.50 0.11 -3.49 -1.94 -1.26 -0.51 119.30 113.56 3ull s MET 104 Ca -0.09 -0.26 -0.12 0.00 -1.71 0.00 0.00 55.69 53.51 3ull s MET 104 Cb -0.04 -3.85 -0.12 0.00 2.01 0.00 0.00 34.83 32.82 3ull s MET 104 CO -0.03 -0.74 1.34 0.38 -0.01 0.00 0.00 175.02 175.96 3ull h ASP 105 N 8.57 0.94 -0.69 3.03 2.03 -1.81 -3.43 116.42 125.07 3ull h ASP 105 Ca -0.27 -0.58 -0.07 0.00 -0.73 0.00 0.00 57.03 55.38 3ull h ASP 105 Cb 1.12 -0.28 -0.16 0.00 -0.83 0.00 0.00 39.33 39.18 3ull h ASP 105 CO 0.80 1.38 -0.34 -0.54 -1.03 0.00 0.00 179.24 179.51 3ull s LYS 106 N -3.86 0.71 -1.06 4.15 1.02 -1.26 -4.94 119.74 114.50 3ull s LYS 106 Ca -0.10 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.25 3ull s LYS 106 Cb 0.09 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 3ull s LYS 106 CO 0.90 -0.90 0.00 -1.71 -0.92 0.00 0.00 175.35 172.72 3ull n ASN 107 N 3.04 -5.48 -3.89 2.83 5.15 -1.26 -4.93 115.26 110.72 3ull n ASN 107 Ca 0.14 0.25 -0.26 0.00 -0.60 0.00 0.00 54.58 54.11 3ull n ASN 107 Cb 0.59 -4.01 -0.17 0.00 -0.53 0.00 0.00 39.78 35.67 3ull n ASN 107 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ull s ASN 108 N -2.30 2.05 0.30 1.20 2.47 -1.26 -5.08 114.94 112.32 3ull s ASN 108 Ca 0.00 -0.27 -0.29 0.00 0.42 0.00 0.00 52.86 52.72 3ull s ASN 108 Cb 0.00 -0.77 -0.11 0.00 -1.45 0.00 0.00 41.25 38.92 3ull s ASN 108 CO 0.00 -0.12 1.46 -0.69 -3.72 0.00 0.00 177.10 174.03 3ull s VAL 109 N 1.68 2.39 0.11 -5.21 1.01 -1.26 -2.25 120.40 116.87 3ull s VAL 109 Ca 0.04 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3ull s VAL 109 Cb -0.13 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3ull s VAL 109 CO -0.07 0.07 0.16 -0.60 0.00 0.00 0.00 175.10 174.65 3ull s ARG 110 N -1.06 0.90 -0.05 2.72 3.52 0.34 -4.93 118.95 120.39 3ull s ARG 110 Ca 0.57 -1.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.07 3ull s ARG 110 Cb -0.44 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.26 3ull s ARG 110 CO 0.51 -0.28 -0.17 1.03 -0.81 0.00 0.00 175.30 175.57 3ull s ARG 111 N -3.93 1.87 -0.61 5.12 0.52 -1.26 -1.64 118.95 119.01 3ull s ARG 111 Ca 0.11 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 54.77 3ull s ARG 111 Cb 0.05 -1.59 0.28 0.00 0.52 0.00 0.00 34.95 34.21 3ull s ARG 111 CO -0.06 0.22 0.82 0.94 0.02 0.00 0.00 175.30 177.24 3ull n GLN 112 N 3.23 2.74 -2.54 3.54 7.27 -1.00 -4.99 117.38 125.63 3ull n GLN 112 Ca -0.19 -4.70 -0.42 0.00 0.07 0.00 0.00 57.00 51.76 3ull n GLN 112 Cb 0.53 -2.23 -0.03 0.00 2.41 0.00 0.00 30.24 30.93 3ull n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ull s ALA 113 N -2.82 3.46 0.04 1.69 0.00 -1.16 -3.17 121.76 119.80 3ull s ALA 113 Ca 0.43 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.97 3ull s ALA 113 Cb 0.20 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3ull s ALA 113 CO -0.06 -0.70 -0.11 -0.08 0.00 0.00 0.00 175.76 174.81 3ull s THR 114 N 2.12 0.84 -0.33 0.00 -1.32 0.63 -4.45 115.64 113.13 3ull s THR 114 Ca 0.53 -1.02 -0.12 0.00 -1.21 0.00 0.00 61.69 59.87 3ull s THR 114 Cb -0.22 -0.82 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 3ull s THR 114 CO 0.21 -0.17 0.21 0.42 -2.21 0.00 0.00 174.62 173.07 3ull s THR 115 N -1.06 5.06 -0.42 5.08 -4.23 -1.00 -0.39 115.64 118.67 3ull s THR 115 Ca -0.03 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 59.91 3ull s THR 115 Cb -0.08 -3.59 0.02 0.00 1.34 0.00 0.00 72.50 70.18 3ull s THR 115 CO 0.01 0.02 1.30 -0.63 -0.54 0.00 0.00 174.62 174.77 3ull s ILE 116 N 1.69 4.05 0.03 2.99 1.01 -0.28 -2.55 121.20 128.14 3ull s ILE 116 Ca 0.06 1.08 -0.25 0.00 0.00 0.00 0.00 60.65 61.53 3ull s ILE 116 Cb -0.17 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3ull s ILE 116 CO 0.09 -0.82 0.79 -0.63 0.00 0.00 0.00 174.94 174.37 3ull s ILE 117 N 4.95 4.76 -0.19 2.92 1.09 -0.23 -1.72 121.20 132.79 3ull s ILE 117 Ca 0.56 1.67 -0.05 0.00 -1.10 0.00 0.00 60.65 61.72 3ull s ILE 117 Cb -0.11 -4.13 -0.10 0.00 -1.06 0.00 0.00 42.46 37.06 3ull s ILE 117 CO 0.31 0.33 -0.21 0.00 -0.10 0.00 0.00 174.94 175.28 3ull n ALA 118 N 3.00 1.70 -2.44 9.38 0.00 -0.23 -4.60 120.51 127.32 3ull n ALA 118 Ca -0.01 -0.76 -0.27 0.00 0.00 0.00 0.00 53.44 52.40 3ull n ALA 118 Cb 0.50 0.18 -0.12 0.00 0.00 0.00 0.00 19.45 20.02 3ull n ALA 118 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ull s ASP 119 N -6.28 3.50 -0.33 0.00 2.15 -0.81 -5.00 116.67 109.91 3ull s ASP 119 Ca -0.25 -0.85 0.02 0.00 0.43 0.00 0.00 52.55 51.90 3ull s ASP 119 Cb 0.08 -0.29 0.19 0.00 -0.30 0.00 0.00 42.92 42.60 3ull s ASP 119 CO 0.37 0.12 0.73 0.21 -0.17 0.00 0.00 175.17 176.42 3ull s ASN 120 N -2.69 -1.27 -0.39 -0.34 3.84 -1.26 -1.32 114.94 111.52 3ull s ASN 120 Ca 0.21 -0.12 -0.11 0.00 0.21 0.00 0.00 52.86 53.05 3ull s ASN 120 Cb -0.08 1.73 0.03 0.00 -0.55 0.00 0.00 41.25 42.38 3ull s ASN 120 CO 0.10 -0.20 0.23 -0.63 -2.79 0.00 0.00 177.10 173.81 3ull s ILE 121 N 2.52 4.65 -0.06 -5.21 1.01 0.17 -4.97 121.20 119.31 3ull s ILE 121 Ca 0.15 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 3ull s ILE 121 Cb -0.06 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 3ull s ILE 121 CO -0.19 -0.29 0.82 -0.63 0.00 0.00 0.00 174.94 174.64 3ull s ILE 122 N 1.56 4.96 -0.98 2.92 1.01 -1.26 -1.30 121.20 128.10 3ull s ILE 122 Ca 0.02 1.68 -0.03 0.00 0.00 0.00 0.00 60.65 62.33 3ull s ILE 122 Cb -0.20 -4.15 0.28 0.00 0.01 0.00 0.00 42.46 38.40 3ull s ILE 122 CO 0.07 0.18 1.18 0.49 0.00 0.00 0.00 174.94 176.86 3ull n PHE 123 N 4.09 3.30 -3.91 3.97 3.72 -1.21 -4.95 117.46 122.48 3ull n PHE 123 Ca 0.02 -3.32 -0.02 0.00 -0.05 0.00 0.00 57.45 54.08 3ull n PHE 123 Cb 0.51 -1.18 0.02 0.00 -0.94 0.00 0.00 39.48 37.88 3ull n PHE 123 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 3ull s LEU 124 N -2.28 0.01 0.00 4.37 0.05 -1.26 -4.59 118.68 114.98 3ull s LEU 124 Ca 0.32 -0.61 0.00 0.00 0.05 0.00 0.00 54.13 53.89 3ull s LEU 124 Cb 0.02 1.95 0.00 0.00 -2.05 0.00 0.00 46.19 46.12 3ull s LEU 124 CO 0.02 -0.88 0.00 -0.24 -0.55 0.00 0.00 176.35 174.70