#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bad n LYS 9 N 0.00 0.00 -4.43 -3.48 3.00 -1.26 -4.95 118.16 107.04 3bad n LYS 9 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 3bad n LYS 9 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 3bad n LYS 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3bad s LYS 10 N 0.00 1.55 0.69 1.64 -0.14 -1.26 -5.08 119.74 117.15 3bad s LYS 10 Ca 0.00 -1.64 -0.16 0.00 -1.36 0.00 0.00 55.97 52.81 3bad s LYS 10 Cb 0.00 -1.68 0.02 0.00 -1.68 0.00 0.00 37.83 34.49 3bad s LYS 10 CO 0.00 0.33 1.20 -1.25 -0.76 0.00 0.00 175.35 174.87 3bad s PRO 11 N -3.20 2.39 0.26 -1.68 0.04 -1.26 -4.68 135.00 126.86 3bad s PRO 11 Ca 0.25 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 3bad s PRO 11 Cb -0.05 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3bad s PRO 11 CO 0.12 -1.64 0.28 0.15 0.04 0.00 0.00 177.00 175.95 3bad s LYS 12 N -3.78 1.51 0.01 4.56 1.02 0.14 -3.57 119.74 119.63 3bad s LYS 12 Ca 0.75 -1.67 0.05 0.00 0.02 0.00 0.00 55.97 55.12 3bad s LYS 12 Cb -0.29 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 3bad s LYS 12 CO 0.42 -0.56 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.63 3bad s LEU 13 N -3.19 2.76 -0.40 3.17 1.43 0.66 -0.55 118.68 122.56 3bad s LEU 13 Ca 0.35 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3bad s LEU 13 Cb 0.03 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.73 3bad s LEU 13 CO 0.16 0.28 0.21 -0.76 0.23 0.00 0.00 176.35 176.47 3bad s LEU 14 N -1.28 4.98 -0.19 1.79 1.43 -1.26 0.08 118.68 124.23 3bad s LEU 14 Ca 0.15 -1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 51.47 3bad s LEU 14 Cb -0.11 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3bad s LEU 14 CO 0.05 -0.50 0.51 -0.47 0.23 0.00 0.00 176.35 176.17 3bad s TYR 15 N 1.33 3.38 -0.16 0.29 5.04 -0.52 -0.82 117.35 125.89 3bad s TYR 15 Ca 0.03 0.77 -0.14 0.00 -2.44 0.00 0.00 57.07 55.29 3bad s TYR 15 Cb -0.22 -2.65 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 3bad s TYR 15 CO 0.00 -0.07 0.29 0.00 -1.34 0.00 0.00 175.55 174.42 3bad n SER 17 N 3.56 0.44 0.14 0.00 3.41 -1.02 -1.54 113.62 118.62 3bad n SER 17 Ca -0.12 0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 59.00 3bad n SER 17 Cb 0.52 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3bad n SER 17 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3bad h ASN 18 N 0.00 -0.30 -0.01 4.04 -1.24 -1.83 -3.37 115.58 112.88 3bad h ASN 18 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3bad h ASN 18 Cb 0.50 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3bad h ASN 18 CO 0.00 -0.19 -0.38 0.61 -1.29 0.00 0.00 177.43 176.18 3bad n GLY 19 N -0.68 -0.13 1.58 1.57 0.00 -1.26 -4.85 105.19 101.42 3bad n GLY 19 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3bad n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bad n GLY 20 N 1.12 0.72 3.91 -0.02 0.00 -0.59 -5.03 105.19 105.30 3bad n GLY 20 Ca 0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 3bad n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bad s HIS 21 N -2.00 3.41 -0.13 1.61 3.76 -1.16 -4.62 115.29 116.15 3bad s HIS 21 Ca 0.00 0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 54.88 3bad s HIS 21 Cb 0.00 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 3bad s HIS 21 CO 0.00 0.51 0.21 -0.06 -0.85 0.00 0.00 174.74 174.55 3bad s PHE 22 N -1.77 3.54 0.24 1.40 0.08 0.19 -0.06 117.98 121.58 3bad s PHE 22 Ca 0.34 0.55 -0.31 0.00 0.12 0.00 0.00 56.93 57.63 3bad s PHE 22 Cb -0.11 -2.13 -0.12 0.00 -0.57 0.00 0.00 43.02 40.09 3bad s PHE 22 CO 0.27 0.50 1.70 -1.17 -0.10 0.00 0.00 175.22 176.42 3bad s LEU 23 N -0.33 4.36 -0.02 -0.37 2.96 -0.00 -1.40 118.68 123.88 3bad s LEU 23 Ca 0.15 2.91 0.02 0.00 -0.22 0.00 0.00 54.13 56.99 3bad s LEU 23 Cb -0.13 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3bad s LEU 23 CO 0.04 -0.97 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.43 3bad s ARG 24 N 0.69 0.70 -0.28 1.98 3.52 0.15 -4.51 118.95 121.20 3bad s ARG 24 Ca 0.72 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 3bad s ARG 24 Cb -0.50 -0.68 0.06 0.00 -1.56 0.00 0.00 34.95 32.27 3bad s ARG 24 CO 0.37 0.10 -0.05 0.42 -0.81 0.00 0.00 175.30 175.33 3bad s ILE 25 N 0.11 2.56 0.55 4.11 1.01 -1.08 -1.52 121.20 126.95 3bad s ILE 25 Ca -0.01 -1.54 -0.15 0.00 0.00 0.00 0.00 60.65 58.95 3bad s ILE 25 Cb -0.06 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 3bad s ILE 25 CO -0.00 -0.08 1.01 -0.76 0.00 0.00 0.00 174.94 175.11 3bad s LEU 26 N 1.17 3.51 0.58 2.97 1.43 -0.11 -4.84 118.68 123.37 3bad s LEU 26 Ca -0.07 1.57 0.28 0.00 -1.03 0.00 0.00 54.13 54.89 3bad s LEU 26 Cb -0.20 -4.50 1.50 0.00 0.03 0.00 0.00 46.19 43.01 3bad s LEU 26 CO -0.03 -0.76 1.94 1.55 0.23 0.00 0.00 176.35 179.28 3bad h PRO 27 N 0.53 0.00 -0.04 1.29 0.13 -1.99 0.43 132.00 132.35 3bad h PRO 27 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3bad h PRO 27 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3bad h PRO 27 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 3bad n ASP 28 N -3.86 0.28 0.00 1.44 5.68 -1.26 -4.86 116.55 113.96 3bad n ASP 28 Ca 0.08 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3bad n ASP 28 Cb 0.62 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 3bad n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bad n GLY 29 N 0.72 0.86 3.85 6.12 0.00 0.15 -4.94 105.19 111.96 3bad n GLY 29 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3bad n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bad s THR 30 N -3.40 4.60 -0.02 2.61 -4.23 -1.25 0.70 115.64 114.65 3bad s THR 30 Ca 0.00 1.07 0.04 0.00 -1.18 0.00 0.00 61.69 61.61 3bad s THR 30 Cb 0.00 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 3bad s THR 30 CO 0.00 -0.80 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.46 3bad s VAL 31 N -2.75 1.08 0.00 2.29 1.01 -1.26 -0.94 120.40 119.83 3bad s VAL 31 Ca 0.57 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3bad s VAL 31 Cb -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3bad s VAL 31 CO 0.37 0.31 0.00 -0.90 0.00 0.00 0.00 175.10 174.89 3bad n ASP 32 N 3.01 0.00 -4.23 3.32 5.75 -0.57 -4.41 116.55 119.42 3bad n ASP 32 Ca -0.16 -0.38 -0.21 0.00 -0.01 0.00 0.00 54.79 54.03 3bad n ASP 32 Cb 0.54 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 3bad n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bad s GLY 33 N -0.75 1.07 0.04 6.12 0.00 0.95 0.31 107.32 115.06 3bad s GLY 33 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3bad s GLY 33 CO 0.00 -1.18 -0.07 -1.08 0.00 0.00 0.00 173.10 170.76 3bad s THR 34 N -1.38 0.51 -1.25 0.90 -1.32 -0.50 -4.79 115.64 107.82 3bad s THR 34 Ca 0.04 -1.08 0.24 0.00 -1.21 0.00 0.00 61.69 59.67 3bad s THR 34 Cb -0.09 -0.60 -0.03 0.00 -1.51 0.00 0.00 72.50 70.27 3bad s THR 34 CO 0.03 -0.40 1.24 0.54 -2.21 0.00 0.00 174.62 173.82 3bad n ARG 35 N 1.44 0.28 -2.79 7.08 1.74 -1.26 0.53 116.66 123.68 3bad n ARG 35 Ca -0.23 -0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 56.23 3bad n ARG 35 Cb 0.55 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 3bad n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bad s ASP 36 N -2.86 6.65 0.00 0.55 2.15 -1.26 -4.92 116.67 116.99 3bad s ASP 36 Ca 0.13 0.51 0.21 0.00 0.43 0.00 0.00 52.55 53.83 3bad s ASP 36 Cb 0.17 -2.47 0.93 0.00 -0.30 0.00 0.00 42.92 41.26 3bad s ASP 36 CO 0.71 -0.91 1.67 0.54 -0.17 0.00 0.00 175.17 177.00 3bad n ARG 37 N 6.90 0.08 0.00 4.34 1.74 -1.26 -2.82 116.66 125.64 3bad n ARG 37 Ca 0.07 0.13 0.13 0.00 -0.77 0.00 0.00 57.85 57.41 3bad n ARG 37 Cb 0.48 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.77 3bad n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bad n SER 38 N -1.44 1.46 -4.69 0.55 3.41 -1.26 -4.93 113.62 106.71 3bad n SER 38 Ca 0.06 -1.25 -0.44 0.00 -0.26 0.00 0.00 58.87 56.98 3bad n SER 38 Cb 0.22 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3bad n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bad n ASP 39 N -0.15 3.32 0.05 4.04 -0.08 -1.13 -4.88 116.55 117.72 3bad n ASP 39 Ca 0.14 1.11 0.11 0.00 -1.51 0.00 0.00 54.79 54.64 3bad n ASP 39 Cb 0.39 -1.49 0.46 0.00 2.34 0.00 0.00 41.12 42.81 3bad n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bad n GLN 40 N 2.84 0.09 -0.52 -0.67 1.13 -1.26 -3.62 117.38 115.37 3bad n GLN 40 Ca 0.13 0.21 0.08 0.00 -1.94 0.00 0.00 57.00 55.49 3bad n GLN 40 Cb 0.32 -1.64 0.28 0.00 0.11 0.00 0.00 30.24 29.32 3bad n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bad n HIS 41 N -1.81 1.14 0.48 1.08 8.25 -1.26 -4.48 115.22 118.62 3bad n HIS 41 Ca 0.05 -0.82 0.07 0.00 -0.26 0.00 0.00 57.72 56.75 3bad n HIS 41 Cb 0.28 -0.33 0.07 0.00 1.12 0.00 0.00 29.99 31.13 3bad n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bad n ILE 42 N -0.21 0.12 -2.95 1.59 -5.35 -1.24 -2.63 119.36 108.69 3bad n ILE 42 Ca 0.22 -0.56 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 3bad n ILE 42 Cb 0.92 1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 39.97 3bad n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3bad s GLN 43 N -1.14 3.85 0.02 6.28 0.74 -1.26 -4.51 119.66 123.65 3bad s GLN 43 Ca 0.18 0.45 0.05 0.00 0.05 0.00 0.00 55.36 56.09 3bad s GLN 43 Cb 0.12 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3bad s GLN 43 CO 0.18 -0.77 -0.14 -0.51 -0.55 0.00 0.00 175.29 173.49 3bad s LEU 44 N 3.05 2.81 -0.24 3.68 1.43 0.29 -1.52 118.68 128.17 3bad s LEU 44 Ca 0.32 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 3bad s LEU 44 Cb -0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3bad s LEU 44 CO 0.15 0.27 -0.03 -1.58 0.23 0.00 0.00 176.35 175.39 3bad s GLN 45 N -1.36 3.11 -0.05 1.70 2.00 0.12 0.29 119.66 125.46 3bad s GLN 45 Ca 0.15 -0.80 -0.11 0.00 -2.00 0.00 0.00 55.36 52.60 3bad s GLN 45 Cb -0.11 -3.06 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 3bad s GLN 45 CO 0.06 -0.32 0.28 -0.51 -0.50 0.00 0.00 175.29 174.30 3bad s LEU 46 N 1.42 4.43 -0.04 3.68 1.02 -1.26 -1.22 118.68 126.72 3bad s LEU 46 Ca 0.03 0.73 0.02 0.00 0.02 0.00 0.00 54.13 54.93 3bad s LEU 46 Cb -0.16 -2.36 0.01 0.00 0.02 0.00 0.00 46.19 43.70 3bad s LEU 46 CO -0.03 0.36 -0.07 -0.94 0.02 0.00 0.00 176.35 175.69 3bad s SER 47 N -1.09 1.13 -0.25 2.29 1.04 -0.79 -2.36 113.70 113.67 3bad s SER 47 Ca 0.20 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.25 3bad s SER 47 Cb -0.14 -0.43 -0.02 0.00 0.10 0.00 0.00 66.02 65.53 3bad s SER 47 CO 0.09 0.01 0.67 0.00 0.98 0.00 0.00 173.24 174.99 3bad s ALA 48 N 0.54 3.62 -0.10 5.32 0.00 -1.26 -0.13 121.76 129.74 3bad s ALA 48 Ca -0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 3bad s ALA 48 Cb -0.12 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3bad s ALA 48 CO 0.01 -0.82 0.14 1.49 0.00 0.00 0.00 175.76 176.58 3bad h GLU 49 N 7.84 -0.03 0.00 0.00 4.57 -1.24 -3.49 114.58 122.23 3bad h GLU 49 Ca -0.26 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.47 3bad h GLU 49 Cb 1.12 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.61 3bad h GLU 49 CO 0.79 0.12 -0.39 0.45 -1.18 0.00 0.00 179.01 178.80 3bad n SER 50 N -4.78 0.86 -4.64 1.04 2.88 -1.19 -5.01 113.62 102.78 3bad n SER 50 Ca -0.02 -2.81 -0.42 0.00 -1.33 0.00 0.00 58.87 54.29 3bad n SER 50 Cb 0.08 0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 64.46 3bad n SER 50 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3bad s VAL 51 N -2.88 3.06 0.00 2.46 1.01 -1.26 -1.59 120.40 121.20 3bad s VAL 51 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3bad s VAL 51 Cb 0.01 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3bad s VAL 51 CO 0.14 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3bad n GLY 52 N 4.83 1.53 3.52 4.51 0.00 -1.26 -5.01 105.19 113.31 3bad n GLY 52 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3bad n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bad s GLU 53 N -0.01 3.74 0.04 1.61 2.02 -0.62 -0.63 118.70 124.85 3bad s GLU 53 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 3bad s GLU 53 Cb 0.00 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 3bad s GLU 53 CO 0.00 0.14 -0.04 0.14 0.02 0.00 0.00 175.26 175.52 3bad s VAL 54 N 0.68 0.28 0.05 2.63 -7.23 0.44 -0.67 120.40 116.58 3bad s VAL 54 Ca 0.00 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3bad s VAL 54 Cb -0.14 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 3bad s VAL 54 CO 0.02 -0.70 0.08 -0.31 -0.31 0.00 0.00 175.10 173.88 3bad s TYR 55 N -2.55 3.21 -0.25 2.82 2.02 0.81 -1.25 117.35 122.16 3bad s TYR 55 Ca -0.04 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3bad s TYR 55 Cb -0.02 -1.66 0.07 0.00 -0.40 0.00 0.00 41.96 39.95 3bad s TYR 55 CO -0.04 0.53 -0.01 0.42 -1.57 0.00 0.00 175.55 174.87 3bad s ILE 56 N -1.32 1.42 -0.06 2.71 1.01 -1.26 -1.89 121.20 121.81 3bad s ILE 56 Ca 0.27 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 59.66 3bad s ILE 56 Cb -0.12 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 3bad s ILE 56 CO 0.19 -0.24 -0.16 -0.75 0.00 0.00 0.00 174.94 173.98 3bad s LYS 57 N 1.42 2.58 -0.02 2.79 2.20 -0.36 -0.53 119.74 127.83 3bad s LYS 57 Ca -0.01 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 3bad s LYS 57 Cb -0.18 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 33.72 3bad s LYS 57 CO -0.09 0.55 1.32 0.45 -0.36 0.00 0.00 175.35 177.22 3bad s SER 58 N -0.54 6.93 0.21 1.43 0.15 0.41 0.11 113.70 122.40 3bad s SER 58 Ca 0.07 2.00 0.01 0.00 0.70 0.00 0.00 55.95 58.74 3bad s SER 58 Cb -0.11 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 61.82 3bad s SER 58 CO 0.01 -0.67 1.52 0.71 1.20 0.00 0.00 173.24 176.02 3bad h THR 59 N 4.95 1.37 -0.50 6.45 1.35 -1.61 0.20 112.91 125.11 3bad h THR 59 Ca -0.36 -1.97 -0.10 0.00 -0.55 0.00 0.00 66.41 63.43 3bad h THR 59 Cb 1.17 1.97 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 3bad h THR 59 CO 0.89 0.59 -0.11 -0.08 -0.25 0.00 0.00 175.52 176.57 3bad h GLU 60 N 0.26 0.92 0.00 4.72 4.57 -1.79 -3.35 114.58 119.91 3bad h GLU 60 Ca -0.01 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 3bad h GLU 60 Cb 1.14 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3bad h GLU 60 CO 0.10 0.98 -0.30 0.25 -1.18 0.00 0.00 179.01 178.86 3bad n THR 61 N -4.15 0.00 -1.03 0.32 -2.24 -1.23 -5.01 114.28 100.94 3bad n THR 61 Ca 0.02 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 3bad n THR 61 Cb 0.39 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3bad n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bad n GLY 62 N 1.22 0.45 3.78 3.38 0.00 0.69 -5.00 105.19 109.70 3bad n GLY 62 Ca 0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 3bad n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bad s GLN 63 N -0.83 4.61 -0.14 1.61 -0.21 -1.25 -4.74 119.66 118.72 3bad s GLN 63 Ca 0.00 1.24 -0.12 0.00 0.02 0.00 0.00 55.36 56.49 3bad s GLN 63 Cb 0.00 -3.14 -0.05 0.00 1.00 0.00 0.00 33.01 30.82 3bad s GLN 63 CO 0.00 0.49 0.26 0.71 -2.12 0.00 0.00 175.29 174.63 3bad s TYR 64 N -1.28 3.52 0.48 0.91 1.51 0.99 -0.44 117.35 123.03 3bad s TYR 64 Ca 0.40 0.60 -0.24 0.00 -1.01 0.00 0.00 57.07 56.82 3bad s TYR 64 Cb -0.22 -2.23 -0.07 0.00 -0.11 0.00 0.00 41.96 39.32 3bad s TYR 64 CO 0.27 0.39 1.42 -1.17 -1.11 0.00 0.00 175.55 175.35 3bad s LEU 65 N -0.04 4.04 0.09 -1.29 2.96 0.31 -0.82 118.68 123.94 3bad s LEU 65 Ca 0.16 2.89 -0.23 0.00 -0.22 0.00 0.00 54.13 56.74 3bad s LEU 65 Cb -0.13 -4.02 0.06 0.00 0.50 0.00 0.00 46.19 42.60 3bad s LEU 65 CO 0.04 -1.29 0.55 0.00 -1.32 0.00 0.00 176.35 174.33 3bad s ALA 66 N -1.22 -1.43 -0.06 5.97 0.00 -0.62 -4.32 121.76 120.09 3bad s ALA 66 Ca 0.64 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3bad s ALA 66 Cb -0.43 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3bad s ALA 66 CO 0.54 -0.61 -0.10 1.41 0.00 0.00 0.00 175.76 177.01 3bad s MET 67 N -3.00 1.45 0.33 0.00 1.75 -0.92 -0.35 119.30 118.56 3bad s MET 67 Ca -0.02 -0.32 -0.01 0.00 -1.25 0.00 0.00 55.69 54.09 3bad s MET 67 Cb -0.00 -1.25 0.07 0.00 2.84 0.00 0.00 34.83 36.48 3bad s MET 67 CO -0.06 -0.01 0.45 -0.40 -0.65 0.00 0.00 175.02 174.35 3bad n ASP 68 N 3.92 0.51 0.16 1.11 5.68 -0.23 -4.81 116.55 122.90 3bad n ASP 68 Ca -0.23 -1.45 0.13 0.00 -0.50 0.00 0.00 54.79 52.73 3bad n ASP 68 Cb 0.51 -0.30 0.53 0.00 -1.14 0.00 0.00 41.12 40.72 3bad n ASP 68 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3bad h THR 69 N -0.60 0.00 -0.01 2.12 1.35 -2.01 -1.68 112.91 112.08 3bad h THR 69 Ca -0.15 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3bad h THR 69 Cb 0.53 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3bad h THR 69 CO 0.15 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 175.33 3bad n ALA 70 N -1.83 2.76 -0.68 6.62 0.00 -1.26 -4.91 120.51 121.20 3bad n ALA 70 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3bad n ALA 70 Cb 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3bad n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bad n GLY 71 N 1.22 0.64 3.85 0.00 0.00 -0.63 -4.77 105.19 105.50 3bad n GLY 71 Ca 0.17 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3bad n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bad s LEU 72 N 0.00 4.45 0.25 0.99 1.43 -1.26 -0.29 118.68 124.25 3bad s LEU 72 Ca 0.00 0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 53.71 3bad s LEU 72 Cb 0.00 -2.43 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 3bad s LEU 72 CO 0.00 0.35 0.77 -0.76 0.23 0.00 0.00 176.35 176.94 3bad s LEU 73 N -1.04 4.32 0.21 1.79 1.43 -1.26 -1.06 118.68 123.07 3bad s LEU 73 Ca 0.21 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.66 3bad s LEU 73 Cb -0.15 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.36 3bad s LEU 73 CO 0.10 -0.01 0.47 -0.72 0.23 0.00 0.00 176.35 176.43 3bad s TYR 74 N -1.58 0.13 -0.30 0.29 1.13 0.52 -4.60 117.35 112.94 3bad s TYR 74 Ca 0.45 -0.49 -0.09 0.00 -1.41 0.00 0.00 57.07 55.53 3bad s TYR 74 Cb -0.16 0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.94 3bad s TYR 74 CO 0.21 -0.92 0.14 0.20 -2.51 0.00 0.00 175.55 172.67 3bad s GLY 75 N -2.94 1.86 -0.24 5.49 0.00 0.22 -1.58 107.32 110.12 3bad s GLY 75 Ca 0.15 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 3bad s GLY 75 CO 0.02 0.67 0.24 -0.45 0.00 0.00 0.00 173.10 173.58 3bad s SER 76 N 1.62 6.19 0.55 1.64 0.15 0.00 -4.63 113.70 119.22 3bad s SER 76 Ca 0.05 0.21 0.28 0.00 0.70 0.00 0.00 55.95 57.18 3bad s SER 76 Cb -0.17 -2.14 1.60 0.00 -1.71 0.00 0.00 66.02 63.59 3bad s SER 76 CO 0.06 0.00 2.16 1.56 1.20 0.00 0.00 173.24 178.22 3bad h GLN 77 N 7.61 0.00 -5.29 5.44 4.20 -1.87 0.28 115.11 125.48 3bad h GLN 77 Ca -0.37 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.82 3bad h GLN 77 Cb 1.17 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.65 3bad h GLN 77 CO 0.66 0.07 -0.83 -0.08 -0.67 0.00 0.00 178.83 177.98 3bad s THR 78 N -4.44 1.28 0.52 -0.54 -1.32 -1.26 -4.77 115.64 105.10 3bad s THR 78 Ca -0.04 -0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 59.57 3bad s THR 78 Cb 0.14 -1.09 -0.06 0.00 -1.51 0.00 0.00 72.50 69.99 3bad s THR 78 CO 0.57 0.37 1.27 -2.16 -2.21 0.00 0.00 174.62 172.46 3bad s PRO 79 N -0.11 3.35 0.33 7.08 0.04 -1.26 -4.88 135.00 139.54 3bad s PRO 79 Ca 0.00 2.01 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 3bad s PRO 79 Cb -0.09 -2.27 0.05 0.00 0.04 0.00 0.00 34.50 32.24 3bad s PRO 79 CO 0.01 -0.96 0.70 0.27 0.04 0.00 0.00 177.00 177.07 3bad n ASN 80 N -0.90 -1.96 -0.07 6.66 0.23 -1.26 -5.03 115.26 112.92 3bad n ASN 80 Ca 0.10 -2.34 0.25 0.00 -0.53 0.00 0.00 54.58 52.06 3bad n ASN 80 Cb 0.47 3.26 0.72 0.00 -2.08 0.00 0.00 39.78 42.15 3bad n ASN 80 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3bad h GLU 81 N 0.00 0.00 -0.01 -3.83 4.81 -2.00 0.28 114.58 113.83 3bad h GLU 81 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3bad h GLU 81 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3bad h GLU 81 CO 0.37 0.00 -0.12 0.39 -0.73 0.00 0.00 179.01 178.91 3bad n GLU 82 N -4.07 0.86 0.00 1.92 1.02 -1.26 -3.85 120.64 115.25 3bad n GLU 82 Ca 0.14 -0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.03 3bad n GLU 82 Cb 0.83 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.96 3bad n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bad s LEU 84 N -2.80 4.27 0.13 0.00 1.43 -1.25 -4.41 118.68 116.05 3bad s LEU 84 Ca 0.15 0.98 0.10 0.00 -1.03 0.00 0.00 54.13 54.33 3bad s LEU 84 Cb 0.18 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3bad s LEU 84 CO 0.66 -0.10 -0.24 -0.36 0.23 0.00 0.00 176.35 176.54 3bad s PHE 85 N 0.95 2.11 -0.37 0.29 0.40 -0.38 -1.40 117.98 119.57 3bad s PHE 85 Ca 0.32 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 56.06 3bad s PHE 85 Cb -0.16 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.24 3bad s PHE 85 CO 0.14 0.31 0.55 -0.51 0.70 0.00 0.00 175.22 176.41 3bad s LEU 86 N -2.11 4.39 -0.31 -0.37 1.02 0.26 -0.42 118.68 121.13 3bad s LEU 86 Ca 0.12 -0.08 -0.18 0.00 0.02 0.00 0.00 54.13 54.01 3bad s LEU 86 Cb -0.10 -2.63 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 3bad s LEU 86 CO 0.06 -0.55 0.51 -0.70 0.02 0.00 0.00 176.35 175.69 3bad s GLU 87 N 2.49 3.82 0.01 1.70 2.12 0.20 -1.28 118.70 127.76 3bad s GLU 87 Ca 0.20 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.65 3bad s GLU 87 Cb -0.15 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 3bad s GLU 87 CO 0.14 -0.51 -0.23 1.03 -0.54 0.00 0.00 175.26 175.15 3bad s ARG 88 N 2.36 2.08 -0.33 4.30 1.81 -0.11 -4.79 118.95 124.27 3bad s ARG 88 Ca 0.20 -0.95 -0.13 0.00 -1.72 0.00 0.00 55.73 53.13 3bad s ARG 88 Cb -0.15 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.22 3bad s ARG 88 CO 0.12 0.55 0.23 -1.17 -0.68 0.00 0.00 175.30 174.35 3bad s LEU 89 N -0.96 4.45 0.44 2.53 0.20 -1.26 -0.95 118.68 123.11 3bad s LEU 89 Ca 0.12 -0.37 -0.21 0.00 0.69 0.00 0.00 54.13 54.35 3bad s LEU 89 Cb -0.10 -2.13 -0.11 0.00 -0.43 0.00 0.00 46.19 43.42 3bad s LEU 89 CO 0.01 -0.21 0.96 -1.61 -0.29 0.00 0.00 176.35 175.21 3bad s GLU 90 N 1.72 4.18 0.32 1.98 0.41 0.18 -4.97 118.70 122.53 3bad s GLU 90 Ca 0.06 1.14 0.06 0.00 -0.41 0.00 0.00 54.97 55.82 3bad s GLU 90 Cb -0.17 -2.17 0.71 0.00 -1.78 0.00 0.00 34.13 30.71 3bad s GLU 90 CO 0.10 -0.08 1.84 1.05 -0.49 0.00 0.00 175.26 177.69 3bad h GLU 91 N 1.86 0.80 0.00 1.61 9.09 -1.98 0.83 114.58 126.79 3bad h GLU 91 Ca -0.49 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.87 3bad h GLU 91 Cb 1.18 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3bad h GLU 91 CO 0.61 0.53 0.00 0.27 0.05 0.00 0.00 179.01 180.47 3bad n ASN 92 N -4.61 0.53 0.00 3.06 0.23 -1.26 -4.84 115.26 108.37 3bad n ASN 92 Ca 0.19 0.68 0.00 0.00 -0.53 0.00 0.00 54.58 54.92 3bad n ASN 92 Cb 0.44 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 3bad n ASN 92 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bad n GLY 93 N -0.58 1.55 3.90 4.83 0.00 0.29 -5.10 105.19 110.08 3bad n GLY 93 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3bad n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bad s TYR 94 N -2.14 3.53 0.19 1.61 2.02 -1.25 -4.80 117.35 116.52 3bad s TYR 94 Ca 0.00 0.78 0.06 0.00 -0.37 0.00 0.00 57.07 57.54 3bad s TYR 94 Cb 0.00 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 3bad s TYR 94 CO 0.00 -0.15 0.13 -0.80 -1.57 0.00 0.00 175.55 173.16 3bad s ASN 95 N -3.83 5.40 0.09 2.29 0.02 0.54 0.49 114.94 119.94 3bad s ASN 95 Ca 0.47 -0.21 0.07 0.00 -1.02 0.00 0.00 52.86 52.17 3bad s ASN 95 Cb -0.10 -1.36 -0.03 0.00 0.02 0.00 0.00 41.25 39.78 3bad s ASN 95 CO 0.40 0.04 -0.19 0.42 0.02 0.00 0.00 177.10 177.79 3bad s THR 96 N -1.86 1.55 -0.20 1.60 -4.23 -0.13 -0.45 115.64 111.91 3bad s THR 96 Ca 0.31 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3bad s THR 96 Cb -0.09 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.38 3bad s THR 96 CO 0.23 -0.08 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.85 3bad s TYR 97 N -1.15 2.20 -0.09 3.99 2.02 -1.26 -0.94 117.35 122.13 3bad s TYR 97 Ca 0.04 -1.50 -0.03 0.00 -0.37 0.00 0.00 57.07 55.22 3bad s TYR 97 Cb -0.10 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3bad s TYR 97 CO 0.03 -0.72 0.02 0.42 -1.57 0.00 0.00 175.55 173.74 3bad s ILE 98 N 1.46 4.51 0.17 2.71 1.01 -0.40 -0.96 121.20 129.71 3bad s ILE 98 Ca -0.02 -0.17 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 3bad s ILE 98 Cb -0.17 -2.91 -0.11 0.00 0.01 0.00 0.00 42.46 39.28 3bad s ILE 98 CO -0.07 0.61 1.75 -0.55 0.00 0.00 0.00 174.94 176.67 3bad s SER 99 N -0.91 6.41 -0.02 3.58 0.15 -0.25 0.90 113.70 123.57 3bad s SER 99 Ca 0.14 2.81 -0.24 0.00 0.70 0.00 0.00 55.95 59.35 3bad s SER 99 Cb -0.11 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.43 3bad s SER 99 CO 0.03 -0.97 1.14 0.50 1.20 0.00 0.00 173.24 175.13 3bad h LYS 100 N 7.45 -0.17 -0.84 5.44 3.64 -1.57 0.19 116.57 130.71 3bad h LYS 100 Ca -0.44 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.19 3bad h LYS 100 Cb 1.21 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 3bad h LYS 100 CO 0.95 0.25 0.60 -0.22 -2.27 0.00 0.00 179.45 178.76 3bad h LYS 101 N -0.67 0.05 0.00 1.90 3.64 -1.78 -0.24 116.57 119.47 3bad h LYS 101 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3bad h LYS 101 Cb 0.50 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3bad h LYS 101 CO 0.03 0.03 -0.34 0.72 -2.27 0.00 0.00 179.45 177.62 3bad n HIS 102 N -4.32 0.00 -0.32 1.91 8.25 -1.18 -4.79 115.22 114.77 3bad n HIS 102 Ca 0.17 -1.22 0.14 0.00 -0.26 0.00 0.00 57.72 56.55 3bad n HIS 102 Cb 0.88 -0.20 0.32 0.00 1.12 0.00 0.00 29.99 32.11 3bad n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bad h ALA 103 N 0.60 1.53 -0.99 -1.41 0.00 0.13 0.11 119.26 119.24 3bad h ALA 103 Ca -0.01 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3bad h ALA 103 Cb 1.05 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3bad h ALA 103 CO 0.00 -0.29 0.62 0.93 0.00 0.00 0.00 179.25 180.51 3bad h GLU 104 N 0.48 0.81 -0.00 0.00 4.39 -1.85 0.10 114.58 118.52 3bad h GLU 104 Ca 0.58 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.23 3bad h GLU 104 Cb 1.07 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3bad h GLU 104 CO -0.49 0.54 -0.11 1.63 -1.16 0.00 0.00 179.01 179.42 3bad n LYS 105 N -4.68 0.41 -3.33 2.33 5.02 0.37 -4.94 118.16 113.34 3bad n LYS 105 Ca 0.21 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 3bad n LYS 105 Cb 0.48 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.08 3bad n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bad n ASN 106 N -1.20 -2.57 -4.52 4.39 5.03 0.02 -4.95 115.26 111.46 3bad n ASN 106 Ca 0.12 -0.56 -0.43 0.00 0.87 0.00 0.00 54.58 54.58 3bad n ASN 106 Cb 0.29 -4.72 -0.04 0.00 -1.02 0.00 0.00 39.78 34.29 3bad n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3bad s TRP 107 N -3.32 2.84 0.24 3.10 0.52 -1.25 -4.71 118.94 116.35 3bad s TRP 107 Ca 0.07 -0.01 -0.06 0.00 0.02 0.00 0.00 56.10 56.12 3bad s TRP 107 Cb -0.03 -3.99 -0.06 0.00 -1.15 0.00 0.00 33.47 28.24 3bad s TRP 107 CO 0.67 -1.28 0.50 -0.06 0.02 0.00 0.00 176.95 176.80 3bad s PHE 108 N 3.78 3.46 0.03 -1.98 0.08 -1.26 -1.09 117.98 121.00 3bad s PHE 108 Ca 0.30 0.67 -0.30 0.00 0.12 0.00 0.00 56.93 57.72 3bad s PHE 108 Cb -0.13 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3bad s PHE 108 CO 0.19 0.27 0.99 0.08 -0.10 0.00 0.00 175.22 176.65 3bad s VAL 109 N -1.90 4.75 -0.03 -0.44 1.01 -0.13 -4.60 120.40 119.07 3bad s VAL 109 Ca 0.44 2.04 -0.28 0.00 0.00 0.00 0.00 61.98 64.18 3bad s VAL 109 Cb -0.11 -4.30 0.06 0.00 0.00 0.00 0.00 36.38 32.03 3bad s VAL 109 CO 0.26 0.19 0.62 -0.83 0.00 0.00 0.00 175.10 175.34 3bad s GLY 110 N 0.79 -0.52 -0.11 4.51 0.00 -1.26 -4.40 107.32 106.34 3bad s GLY 110 Ca 0.51 1.09 0.03 0.00 0.00 0.00 0.00 44.72 46.36 3bad s GLY 110 CO 0.28 0.76 -0.23 1.08 0.00 0.00 0.00 173.10 175.00 3bad s LEU 111 N -1.35 2.15 0.73 0.66 1.43 -0.96 -0.02 118.68 121.32 3bad s LEU 111 Ca -0.10 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 3bad s LEU 111 Cb -0.01 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.81 3bad s LEU 111 CO 0.07 0.15 1.08 -0.54 0.23 0.00 0.00 176.35 177.35 3bad s LYS 112 N 0.38 2.56 0.55 1.70 1.02 0.30 -4.53 119.74 121.72 3bad s LYS 112 Ca -0.17 1.12 0.29 0.00 0.02 0.00 0.00 55.97 57.23 3bad s LYS 112 Cb -0.18 -1.94 1.46 0.00 -0.52 0.00 0.00 37.83 36.66 3bad s LYS 112 CO 0.08 -1.40 1.93 0.87 -0.92 0.00 0.00 175.35 175.91 3bad h LYS 113 N -0.83 0.00 -0.02 1.68 1.57 -1.88 1.13 116.57 118.22 3bad h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3bad h LYS 113 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3bad h LYS 113 CO 0.53 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.68 3bad n ASN 114 N -4.10 0.63 0.00 0.86 0.23 -1.26 -4.50 115.26 107.12 3bad n ASN 114 Ca 0.12 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 3bad n ASN 114 Cb 0.74 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 3bad n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bad n GLY 115 N 1.03 0.96 3.86 4.83 0.00 0.39 -4.99 105.19 111.27 3bad n GLY 115 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3bad n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bad s SER 116 N -2.95 6.47 0.25 1.61 1.04 -1.25 -0.04 113.70 118.83 3bad s SER 116 Ca 0.00 1.39 -0.25 0.00 0.48 0.00 0.00 55.95 57.57 3bad s SER 116 Cb 0.00 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.59 3bad s SER 116 CO 0.00 -0.63 0.85 0.00 0.98 0.00 0.00 173.24 174.44 3bad s LYS 118 N -1.71 3.94 -0.04 0.00 1.02 0.97 -4.79 119.74 119.12 3bad s LYS 118 Ca 0.44 0.70 -0.18 0.00 0.02 0.00 0.00 55.97 56.95 3bad s LYS 118 Cb -0.20 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 3bad s LYS 118 CO 0.25 -0.01 0.51 0.50 -0.92 0.00 0.00 175.35 175.68 3bad s ARG 119 N -3.49 4.23 0.01 1.68 3.52 -1.26 -4.62 118.95 119.01 3bad s ARG 119 Ca 0.55 0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 56.68 3bad s ARG 119 Cb -0.10 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3bad s ARG 119 CO 0.24 0.38 0.47 0.41 -0.81 0.00 0.00 175.30 175.99 3bad n GLY 120 N 2.57 -1.32 0.00 8.12 0.00 0.60 0.06 105.19 115.21 3bad n GLY 120 Ca -0.09 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.25 3bad n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bad n PRO 121 N -2.80 0.06 -0.44 1.61 -0.04 -1.26 -1.21 135.00 130.93 3bad n PRO 121 Ca 0.00 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 3bad n PRO 121 Cb 0.02 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.30 3bad n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3bad n ARG 122 N -1.27 3.10 -4.21 0.54 1.74 0.11 -4.92 116.66 111.75 3bad n ARG 122 Ca 0.02 -2.69 -0.23 0.00 -0.77 0.00 0.00 57.85 54.18 3bad n ARG 122 Cb 0.03 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 3bad n ARG 122 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3bad s THR 123 N -1.33 3.89 -0.16 0.55 -4.23 -0.35 -4.88 115.64 109.13 3bad s THR 123 Ca 0.47 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.06 3bad s THR 123 Cb 0.27 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 71.19 3bad s THR 123 CO 0.28 -0.30 1.10 -1.38 -0.54 0.00 0.00 174.62 173.78 3bad s HIS 124 N -2.11 -0.24 0.13 3.99 -3.43 -1.26 -4.81 115.29 107.55 3bad s HIS 124 Ca 0.31 0.30 -0.33 0.00 -0.80 0.00 0.00 55.06 54.55 3bad s HIS 124 Cb -0.08 0.49 -0.12 0.00 -1.43 0.00 0.00 32.58 31.44 3bad s HIS 124 CO 0.21 -0.28 1.74 0.66 -2.00 0.00 0.00 174.74 175.07 3bad n TYR 125 N 0.29 2.50 0.00 0.38 4.01 -1.26 -2.54 117.16 120.53 3bad n TYR 125 Ca -0.05 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3bad n TYR 125 Cb 0.59 -2.65 0.00 0.00 -0.31 0.00 0.00 39.34 36.97 3bad n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bad n GLY 126 N 3.93 1.96 3.80 2.72 0.00 -1.26 -5.10 105.19 111.24 3bad n GLY 126 Ca 0.18 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3bad n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bad s GLN 127 N 0.00 4.22 0.30 1.61 -0.21 -1.05 -4.93 119.66 119.60 3bad s GLN 127 Ca 0.00 1.29 0.25 0.00 0.02 0.00 0.00 55.36 56.92 3bad s GLN 127 Cb 0.00 -2.38 0.60 0.00 1.00 0.00 0.00 33.01 32.24 3bad s GLN 127 CO 0.00 -0.05 1.69 0.87 -2.12 0.00 0.00 175.29 175.68 3bad h LYS 128 N 2.25 0.00 0.00 2.91 1.57 -1.97 -3.25 116.57 118.08 3bad h LYS 128 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3bad h LYS 128 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3bad h LYS 128 CO 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 179.47 3bad h ALA 129 N 2.31 1.83 -0.05 3.86 0.00 -1.92 -2.54 119.26 122.76 3bad h ALA 129 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bad h ALA 129 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3bad h ALA 129 CO 0.00 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.73 3bad n ILE 130 N -4.34 0.05 -3.47 0.00 -5.35 -1.23 -2.26 119.36 102.77 3bad n ILE 130 Ca -0.03 -0.28 -0.40 0.00 -0.27 0.00 0.00 62.75 61.78 3bad n ILE 130 Cb 0.12 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.39 3bad n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bad s LEU 131 N -1.90 4.26 -0.03 7.28 1.43 -0.96 -4.35 118.68 124.42 3bad s LEU 131 Ca 0.37 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.44 3bad s LEU 131 Cb 0.20 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3bad s LEU 131 CO 0.32 -0.22 -0.25 -0.36 0.23 0.00 0.00 176.35 176.07 3bad s PHE 132 N 1.92 2.39 -0.34 0.29 0.40 0.40 -2.43 117.98 120.61 3bad s PHE 132 Ca 0.10 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 3bad s PHE 132 Cb -0.16 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 41.85 3bad s PHE 132 CO 0.11 -0.08 0.14 -1.17 0.70 0.00 0.00 175.22 174.92 3bad s LEU 133 N -0.47 4.38 0.13 -0.37 2.96 0.16 -0.34 118.68 125.13 3bad s LEU 133 Ca 0.06 -0.96 -0.31 0.00 -0.22 0.00 0.00 54.13 52.70 3bad s LEU 133 Cb -0.11 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.56 3bad s LEU 133 CO 0.01 -0.32 1.32 -2.84 -1.32 0.00 0.00 176.35 173.20 3bad s PRO 134 N 1.49 4.37 -0.04 0.98 0.02 -1.26 -1.44 135.00 139.13 3bad s PRO 134 Ca 0.01 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.07 3bad s PRO 134 Cb -0.19 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 3bad s PRO 134 CO 0.05 -0.34 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.69 3bad s LEU 135 N 0.74 1.94 0.50 -5.54 1.43 0.11 -4.92 118.68 112.94 3bad s LEU 135 Ca 0.61 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.13 3bad s LEU 135 Cb -0.35 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.85 3bad s LEU 135 CO 0.32 0.17 1.37 -2.65 0.23 0.00 0.00 176.35 175.79 3bad n PRO 136 N 3.02 1.92 0.10 1.29 -0.02 -1.26 -0.25 135.00 139.81 3bad n PRO 136 Ca -0.17 0.70 -0.21 0.00 -2.02 0.00 0.00 63.50 61.80 3bad n PRO 136 Cb 0.53 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 3bad n PRO 136 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bad h VAL 137 N 1.81 1.18 0.00 -1.45 2.07 -1.90 -3.44 116.25 114.53 3bad h VAL 137 Ca -0.51 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.28 3bad h VAL 137 Cb 1.29 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 3bad h VAL 137 CO 0.59 0.84 0.00 -1.54 0.02 0.00 0.00 177.57 177.47