#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hal n TYR 8 N 0.00 0.00 0.06 -2.53 4.01 -1.26 -4.78 117.16 112.66 3hal n TYR 8 Ca 0.00 -0.72 -0.13 0.00 -0.16 0.00 0.00 57.90 56.89 3hal n TYR 8 Cb 0.00 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 38.84 3hal n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3hal h LYS 9 N 0.00 -0.19 -6.43 -0.72 1.57 -2.03 -3.43 116.57 105.34 3hal h LYS 9 Ca 0.00 0.01 -0.54 0.00 -1.87 0.00 0.00 60.65 58.26 3hal h LYS 9 Cb 0.86 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3hal h LYS 9 CO 0.00 0.21 -0.14 -0.51 -0.57 0.00 0.00 179.45 178.44 3hal s LEU 10 N -9.32 4.14 0.94 2.94 1.43 -1.26 -5.03 118.68 112.53 3hal s LEU 10 Ca -0.14 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 53.68 3hal s LEU 10 Cb 0.02 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.78 3hal s LEU 10 CO 0.59 -0.10 1.09 -2.84 0.23 0.00 0.00 176.35 175.32 3hal s PRO 11 N -3.00 0.89 0.06 1.29 0.02 -1.26 -4.72 135.00 128.29 3hal s PRO 11 Ca 0.46 0.89 0.01 0.00 0.02 0.00 0.00 61.00 62.38 3hal s PRO 11 Cb -0.11 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 3hal s PRO 11 CO 0.24 -2.51 -0.05 0.15 -0.33 0.00 0.00 177.00 174.50 3hal s LYS 12 N -4.84 0.65 -0.00 5.54 -0.14 0.59 -4.09 119.74 117.46 3hal s LYS 12 Ca 0.65 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 54.02 3hal s LYS 12 Cb -0.19 -0.03 -0.05 0.00 -1.68 0.00 0.00 37.83 35.87 3hal s LYS 12 CO 0.58 -0.04 0.35 -0.51 -0.76 0.00 0.00 175.35 174.96 3hal s LEU 13 N -2.60 4.42 -0.42 3.17 1.43 0.17 -1.03 118.68 123.82 3hal s LEU 13 Ca 0.04 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 53.82 3hal s LEU 13 Cb 0.02 -2.59 0.06 0.00 0.03 0.00 0.00 46.19 43.71 3hal s LEU 13 CO -0.05 0.30 0.28 -0.76 0.23 0.00 0.00 176.35 176.35 3hal s LEU 14 N -1.32 5.16 -0.18 1.79 1.43 -1.26 -0.12 118.68 124.18 3hal s LEU 14 Ca 0.25 -1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 51.89 3hal s LEU 14 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3hal s LEU 14 CO 0.13 -0.52 0.39 -0.47 0.23 0.00 0.00 176.35 176.11 3hal s TYR 15 N 1.53 3.42 -0.24 0.29 5.04 -0.49 -1.00 117.35 125.89 3hal s TYR 15 Ca 0.03 0.66 -0.10 0.00 -2.44 0.00 0.00 57.07 55.22 3hal s TYR 15 Cb -0.22 -2.49 -0.04 0.00 0.35 0.00 0.00 41.96 39.56 3hal s TYR 15 CO 0.05 0.08 0.14 0.00 -1.34 0.00 0.00 175.55 174.48 3hal h SER 17 N 7.75 0.00 0.40 0.00 4.64 -1.73 -0.44 113.55 124.17 3hal h SER 17 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3hal h SER 17 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3hal h SER 17 CO 0.62 0.00 -0.19 -1.13 -0.87 0.00 0.00 176.83 175.26 3hal h ASN 18 N 0.00 -0.45 -0.01 4.97 -1.24 -1.86 -3.32 115.58 113.67 3hal h ASN 18 Ca 0.00 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.93 3hal h ASN 18 Cb 0.30 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.46 3hal h ASN 18 CO 0.00 -0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.57 3hal n GLY 19 N -0.82 -0.38 2.26 1.57 0.00 -1.24 -4.78 105.19 101.80 3hal n GLY 19 Ca -0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3hal n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hal n GLY 20 N -0.06 0.14 3.65 -0.02 0.00 -0.20 -5.00 105.19 103.70 3hal n GLY 20 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3hal n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hal s HIS 21 N -3.16 2.95 -0.06 1.61 3.76 -1.05 -4.50 115.29 114.83 3hal s HIS 21 Ca 0.10 -0.02 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 3hal s HIS 21 Cb -0.04 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.02 3hal s HIS 21 CO 0.34 0.44 0.46 -0.06 -0.85 0.00 0.00 174.74 175.07 3hal s PHE 22 N -1.16 3.62 0.26 1.40 0.08 0.11 0.11 117.98 122.40 3hal s PHE 22 Ca 0.21 0.96 -0.30 0.00 0.12 0.00 0.00 56.93 57.93 3hal s PHE 22 Cb -0.11 -2.46 -0.10 0.00 -0.57 0.00 0.00 43.02 39.78 3hal s PHE 22 CO 0.13 0.37 1.44 -1.17 -0.10 0.00 0.00 175.22 175.89 3hal s LEU 23 N -0.13 4.38 -0.04 -0.37 2.96 -0.17 -1.19 118.68 124.12 3hal s LEU 23 Ca 0.25 2.69 0.02 0.00 -0.22 0.00 0.00 54.13 56.87 3hal s LEU 23 Cb -0.16 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.92 3hal s LEU 23 CO 0.12 -0.71 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.78 3hal s ARG 24 N -0.52 0.89 -0.35 1.98 3.52 0.04 -4.47 118.95 120.05 3hal s ARG 24 Ca 0.59 -0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.98 3hal s ARG 24 Cb -0.42 -0.85 0.07 0.00 -1.56 0.00 0.00 34.95 32.19 3hal s ARG 24 CO 0.45 -0.01 0.10 0.42 -0.81 0.00 0.00 175.30 175.44 3hal s ILE 25 N 0.65 3.22 0.60 4.11 1.01 -0.85 -1.83 121.20 128.10 3hal s ILE 25 Ca -0.09 -1.62 -0.14 0.00 0.00 0.00 0.00 60.65 58.80 3hal s ILE 25 Cb -0.12 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3hal s ILE 25 CO 0.01 -0.35 1.04 -0.76 0.00 0.00 0.00 174.94 174.87 3hal s LEU 26 N 1.23 3.43 0.58 2.97 1.43 -0.23 -4.84 118.68 123.25 3hal s LEU 26 Ca 0.01 1.67 0.29 0.00 -1.03 0.00 0.00 54.13 55.06 3hal s LEU 26 Cb -0.21 -4.51 1.76 0.00 0.03 0.00 0.00 46.19 43.26 3hal s LEU 26 CO -0.02 -1.03 2.23 -0.65 0.23 0.00 0.00 176.35 177.11 3hal h PRO 27 N 0.25 0.00 -0.01 1.29 0.11 -1.99 -0.68 132.00 130.97 3hal h PRO 27 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hal h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hal h PRO 27 CO 0.59 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3hal n ASP 28 N -3.85 0.65 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.90 3hal n ASP 28 Ca -0.03 -1.22 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3hal n ASP 28 Cb 0.10 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3hal n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hal n GLY 29 N 1.07 0.58 3.76 6.12 0.00 -0.26 -4.97 105.19 111.50 3hal n GLY 29 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3hal n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hal s THR 30 N -2.25 3.43 -0.09 2.61 2.01 -1.25 -0.31 115.64 119.78 3hal s THR 30 Ca 0.00 1.38 0.04 0.00 0.31 0.00 0.00 61.69 63.41 3hal s THR 30 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3hal s THR 30 CO 0.00 0.28 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.31 3hal s VAL 31 N -1.24 2.38 0.00 3.82 1.01 -1.26 -1.06 120.40 124.05 3hal s VAL 31 Ca 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3hal s VAL 31 Cb -0.31 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3hal s VAL 31 CO 0.40 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 3hal n ASP 32 N 3.25 0.00 -4.34 3.32 5.68 -0.76 -4.33 116.55 119.37 3hal n ASP 32 Ca -0.18 -0.02 -0.19 0.00 -0.50 0.00 0.00 54.79 53.90 3hal n ASP 32 Cb 0.53 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.40 3hal n ASP 32 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3hal s GLY 33 N -0.02 1.41 0.01 6.12 0.00 0.84 -0.78 107.32 114.90 3hal s GLY 33 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.09 3hal s GLY 33 CO 0.00 -1.73 -0.02 -1.08 0.00 0.00 0.00 173.10 170.27 3hal s THR 34 N -2.87 0.10 -1.85 0.90 -1.32 -0.34 -4.80 115.64 105.46 3hal s THR 34 Ca 0.21 -0.59 0.29 0.00 -1.21 0.00 0.00 61.69 60.40 3hal s THR 34 Cb -0.01 -0.19 0.56 0.00 -1.51 0.00 0.00 72.50 71.35 3hal s THR 34 CO 0.07 -0.31 1.92 0.54 -2.21 0.00 0.00 174.62 174.63 3hal n ARG 35 N 2.13 0.90 -2.88 7.08 1.74 -1.26 0.09 116.66 124.45 3hal n ARG 35 Ca -0.20 -0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.15 3hal n ARG 35 Cb 0.57 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.48 3hal n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hal s ASP 36 N -2.30 6.20 0.44 0.55 2.15 -1.26 -4.89 116.67 117.56 3hal s ASP 36 Ca 0.34 -1.10 0.30 0.00 0.43 0.00 0.00 52.55 52.53 3hal s ASP 36 Cb 0.21 -2.41 1.56 0.00 -0.30 0.00 0.00 42.92 41.98 3hal s ASP 36 CO 0.43 -1.39 1.93 -0.09 -0.17 0.00 0.00 175.17 175.88 3hal h ARG 37 N 9.49 0.00 -0.19 4.34 2.43 -1.99 -1.55 114.38 126.92 3hal h ARG 37 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3hal h ARG 37 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3hal h ARG 37 CO 1.17 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 178.50 3hal n SER 38 N -2.60 2.44 -4.77 -3.80 3.41 -1.26 -4.96 113.62 102.08 3hal n SER 38 Ca -0.01 -1.82 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 3hal n SER 38 Cb 0.10 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 3hal n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hal s ASP 39 N -1.69 6.49 0.40 4.04 -1.08 -0.59 -4.91 116.67 119.33 3hal s ASP 39 Ca 0.34 2.91 0.28 0.00 -0.52 0.00 0.00 52.55 55.56 3hal s ASP 39 Cb 0.20 -2.66 1.01 0.00 -1.46 0.00 0.00 42.92 40.02 3hal s ASP 39 CO 0.30 -0.77 1.81 1.56 0.52 0.00 0.00 175.17 178.59 3hal h GLN 40 N 3.48 0.00 -0.40 4.34 1.08 -1.93 -3.25 115.11 118.44 3hal h GLN 40 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3hal h GLN 40 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3hal h GLN 40 CO 0.67 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.27 3hal n HIS 41 N -2.72 1.22 0.70 2.96 8.25 -1.26 -4.22 115.22 120.15 3hal n HIS 41 Ca 0.02 -0.76 0.08 0.00 -0.26 0.00 0.00 57.72 56.81 3hal n HIS 41 Cb 0.33 -0.31 0.06 0.00 1.12 0.00 0.00 29.99 31.19 3hal n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3hal n ILE 42 N 0.10 0.00 -2.82 1.59 -5.35 -1.23 -2.01 119.36 109.64 3hal n ILE 42 Ca 0.22 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.80 3hal n ILE 42 Cb 0.91 1.33 -0.04 0.00 -1.74 0.00 0.00 39.64 40.09 3hal n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hal s GLN 43 N -1.47 3.89 -0.08 6.28 1.11 -1.26 -4.42 119.66 123.71 3hal s GLN 43 Ca 0.19 0.63 0.05 0.00 0.01 0.00 0.00 55.36 56.23 3hal s GLN 43 Cb 0.14 -3.78 -0.01 0.00 -1.01 0.00 0.00 33.01 28.35 3hal s GLN 43 CO 0.24 -0.88 -0.22 -0.51 0.01 0.00 0.00 175.29 173.92 3hal s LEU 44 N 3.37 2.23 -0.37 2.90 1.43 -0.20 -1.45 118.68 126.59 3hal s LEU 44 Ca 0.37 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 3hal s LEU 44 Cb -0.12 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 3hal s LEU 44 CO 0.17 0.22 0.30 -1.58 0.23 0.00 0.00 176.35 175.69 3hal s GLN 45 N -0.03 3.33 0.07 1.70 2.00 0.16 -0.30 119.66 126.59 3hal s GLN 45 Ca -0.07 -0.72 -0.19 0.00 -2.00 0.00 0.00 55.36 52.38 3hal s GLN 45 Cb -0.15 -3.87 -0.07 0.00 0.80 0.00 0.00 33.01 29.73 3hal s GLN 45 CO 0.05 -0.58 0.56 -0.51 -0.50 0.00 0.00 175.29 174.31 3hal s LEU 46 N 1.80 4.53 0.02 3.68 1.02 -1.26 -1.01 118.68 127.45 3hal s LEU 46 Ca 0.07 1.25 0.02 0.00 0.02 0.00 0.00 54.13 55.49 3hal s LEU 46 Cb -0.18 -2.88 -0.01 0.00 0.02 0.00 0.00 46.19 43.14 3hal s LEU 46 CO 0.11 0.28 -0.06 -0.94 0.02 0.00 0.00 176.35 175.76 3hal s SER 47 N -1.10 0.65 0.11 2.29 1.04 -0.69 -4.77 113.70 111.22 3hal s SER 47 Ca 0.29 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.23 3hal s SER 47 Cb -0.19 -0.01 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 3hal s SER 47 CO 0.19 -0.08 0.56 0.00 0.98 0.00 0.00 173.24 174.88 3hal s ALA 48 N -0.76 3.58 0.00 5.32 0.00 -1.26 -0.71 121.76 127.93 3hal s ALA 48 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3hal s ALA 48 Cb -0.06 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3hal s ALA 48 CO 0.00 0.43 0.00 -1.91 0.00 0.00 0.00 175.76 174.28 3hal n GLU 49 N 1.27 0.00 -1.55 0.00 4.07 -0.41 -4.90 120.64 119.12 3hal n GLU 49 Ca -0.08 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.73 3hal n GLU 49 Cb 0.51 0.00 0.18 0.00 -0.06 0.00 0.00 31.44 32.07 3hal n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3hal s SER 50 N -1.00 2.66 0.05 4.31 0.01 -1.26 -4.88 113.70 113.59 3hal s SER 50 Ca 0.00 0.63 -0.33 0.00 1.31 0.00 0.00 55.95 57.56 3hal s SER 50 Cb 0.00 -0.93 -0.12 0.00 0.21 0.00 0.00 66.02 65.18 3hal s SER 50 CO 0.00 -3.05 1.79 0.52 0.41 0.00 0.00 173.24 172.91 3hal n VAL 51 N -4.04 0.37 -0.99 3.43 0.31 -1.26 -1.45 118.33 114.70 3hal n VAL 51 Ca 0.11 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3hal n VAL 51 Cb 0.59 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3hal n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hal n GLY 52 N 4.09 0.53 3.51 2.92 0.00 -1.26 -5.02 105.19 109.96 3hal n GLY 52 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3hal n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hal s GLU 53 N -0.23 2.87 0.06 1.61 2.02 -0.53 -1.17 118.70 123.33 3hal s GLU 53 Ca 0.00 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.40 3hal s GLU 53 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 3hal s GLU 53 CO 0.00 0.54 -0.09 0.14 0.02 0.00 0.00 175.26 175.87 3hal s VAL 54 N -0.48 0.69 0.11 2.63 -7.23 0.07 -1.29 120.40 114.91 3hal s VAL 54 Ca 0.07 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 58.94 3hal s VAL 54 Cb -0.12 -0.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 3hal s VAL 54 CO 0.02 -0.43 0.32 -0.31 -0.31 0.00 0.00 175.10 174.39 3hal s TYR 55 N -1.71 3.49 -0.21 2.82 2.02 0.11 -1.46 117.35 122.41 3hal s TYR 55 Ca -0.05 0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 57.10 3hal s TYR 55 Cb -0.08 -1.92 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3hal s TYR 55 CO 0.00 0.49 -0.05 0.42 -1.57 0.00 0.00 175.55 174.84 3hal s ILE 56 N -1.60 1.32 -0.06 2.71 1.01 -1.26 -1.71 121.20 121.61 3hal s ILE 56 Ca 0.39 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3hal s ILE 56 Cb -0.12 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 3hal s ILE 56 CO 0.26 -0.03 -0.24 -0.75 0.00 0.00 0.00 174.94 174.17 3hal s LYS 57 N 1.51 2.50 0.08 2.79 2.20 -0.18 -0.48 119.74 128.15 3hal s LYS 57 Ca -0.03 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.39 3hal s LYS 57 Cb -0.17 -2.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.95 3hal s LYS 57 CO -0.07 0.36 1.59 0.45 -0.36 0.00 0.00 175.35 177.33 3hal s SER 58 N -0.13 6.64 0.29 1.43 0.15 0.23 0.40 113.70 122.72 3hal s SER 58 Ca -0.04 2.45 0.13 0.00 0.70 0.00 0.00 55.95 59.18 3hal s SER 58 Cb -0.14 -2.57 0.42 0.00 -1.71 0.00 0.00 66.02 62.02 3hal s SER 58 CO 0.04 -0.84 1.63 0.71 1.20 0.00 0.00 173.24 175.98 3hal h THR 59 N 4.67 1.30 -0.07 6.45 1.35 -1.59 0.16 112.91 125.19 3hal h THR 59 Ca -0.42 -2.00 -0.12 0.00 -0.55 0.00 0.00 66.41 63.32 3hal h THR 59 Cb 1.20 2.11 0.01 0.00 -1.73 0.00 0.00 68.15 69.74 3hal h THR 59 CO 0.92 0.55 -0.43 -0.08 -0.25 0.00 0.00 175.52 176.23 3hal h GLU 60 N 0.00 0.41 0.00 4.72 4.57 -1.81 -3.39 114.58 119.08 3hal h GLU 60 Ca -0.01 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3hal h GLU 60 Cb 1.07 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3hal h GLU 60 CO 0.07 1.00 -0.74 0.25 -1.18 0.00 0.00 179.01 178.41 3hal n THR 61 N -4.32 0.00 -0.97 0.32 -2.24 -1.23 -4.99 114.28 100.85 3hal n THR 61 Ca -0.09 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hal n THR 61 Cb 0.57 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3hal n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hal n GLY 62 N 1.51 0.50 3.78 3.38 0.00 0.04 -5.00 105.19 109.39 3hal n GLY 62 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hal n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hal s GLN 63 N -0.38 4.24 -0.06 1.61 -0.21 -1.26 -4.74 119.66 118.85 3hal s GLN 63 Ca 0.00 1.58 -0.11 0.00 0.02 0.00 0.00 55.36 56.85 3hal s GLN 63 Cb 0.00 -2.66 -0.05 0.00 1.00 0.00 0.00 33.01 31.30 3hal s GLN 63 CO 0.00 -0.09 0.27 0.71 -2.12 0.00 0.00 175.29 174.06 3hal s TYR 64 N -1.55 3.66 0.31 0.91 1.51 0.60 -0.60 117.35 122.19 3hal s TYR 64 Ca 0.55 0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 57.07 3hal s TYR 64 Cb -0.24 -2.12 -0.11 0.00 -0.11 0.00 0.00 41.96 39.38 3hal s TYR 64 CO 0.31 0.68 1.51 -1.17 -1.11 0.00 0.00 175.55 175.76 3hal s LEU 65 N -1.00 4.35 0.08 -1.29 2.96 0.36 -0.43 118.68 123.71 3hal s LEU 65 Ca 0.19 2.90 -0.06 0.00 -0.22 0.00 0.00 54.13 56.94 3hal s LEU 65 Cb -0.14 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 3hal s LEU 65 CO 0.08 -0.83 0.12 0.00 -1.32 0.00 0.00 176.35 174.41 3hal s ALA 66 N -0.42 0.02 -0.06 5.97 0.00 0.00 -4.35 121.76 122.91 3hal s ALA 66 Ca 0.58 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3hal s ALA 66 Cb -0.46 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3hal s ALA 66 CO 0.52 -0.47 -0.09 1.41 0.00 0.00 0.00 175.76 177.12 3hal s MET 67 N -3.88 1.38 0.61 0.00 1.75 -0.86 -0.92 119.30 117.38 3hal s MET 67 Ca 0.06 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 3hal s MET 67 Cb 0.06 -1.21 0.13 0.00 2.84 0.00 0.00 34.83 36.65 3hal s MET 67 CO -0.10 -0.02 0.84 -0.40 -0.65 0.00 0.00 175.02 174.68 3hal n ASP 68 N 3.94 0.76 0.00 1.11 5.68 0.19 -4.85 116.55 123.38 3hal n ASP 68 Ca -0.23 -1.73 0.08 0.00 -0.50 0.00 0.00 54.79 52.41 3hal n ASP 68 Cb 0.51 -0.58 0.36 0.00 -1.14 0.00 0.00 41.12 40.28 3hal n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hal n THR 69 N -2.77 0.84 -0.22 2.12 -2.24 -1.26 -1.22 114.28 109.53 3hal n THR 69 Ca 0.13 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 3hal n THR 69 Cb 0.45 -0.92 0.28 0.00 -2.10 0.00 0.00 70.33 68.04 3hal n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hal n ASP 70 N -1.49 3.73 0.00 3.42 8.00 -1.26 -4.96 116.55 123.99 3hal n ASP 70 Ca 0.04 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3hal n ASP 70 Cb 0.19 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3hal n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hal n GLY 71 N 1.48 0.68 3.72 0.44 0.00 -0.36 -4.47 105.19 106.68 3hal n GLY 71 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3hal n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hal s LEU 72 N 0.00 4.39 0.38 0.99 2.96 -1.26 -0.77 118.68 125.37 3hal s LEU 72 Ca 0.00 1.45 -0.24 0.00 -0.22 0.00 0.00 54.13 55.11 3hal s LEU 72 Cb 0.00 -3.30 -0.09 0.00 0.50 0.00 0.00 46.19 43.29 3hal s LEU 72 CO 0.00 -0.11 1.02 -0.76 -1.32 0.00 0.00 176.35 175.18 3hal s LEU 73 N 0.52 4.17 0.19 -0.68 1.43 -1.26 -0.64 118.68 122.42 3hal s LEU 73 Ca 0.43 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 3hal s LEU 73 Cb -0.20 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.87 3hal s LEU 73 CO 0.23 -0.39 0.44 -0.72 0.23 0.00 0.00 176.35 176.15 3hal s TYR 74 N -1.67 0.10 -0.14 0.29 1.13 -0.09 -4.19 117.35 112.78 3hal s TYR 74 Ca 0.56 -0.46 -0.15 0.00 -1.41 0.00 0.00 57.07 55.61 3hal s TYR 74 Cb -0.21 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 3hal s TYR 74 CO 0.26 -0.87 0.36 0.20 -2.51 0.00 0.00 175.55 173.00 3hal s GLY 75 N -2.92 2.29 -0.09 5.49 0.00 0.58 -0.82 107.32 111.84 3hal s GLY 75 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3hal s GLY 75 CO -0.00 0.54 -0.09 -0.45 0.00 0.00 0.00 173.10 173.10 3hal s SER 76 N 0.46 4.45 0.33 1.64 0.15 0.42 -4.75 113.70 116.40 3hal s SER 76 Ca 0.20 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.78 3hal s SER 76 Cb -0.14 -1.33 0.58 0.00 -1.71 0.00 0.00 66.02 63.42 3hal s SER 76 CO 0.07 0.28 1.80 1.56 1.20 0.00 0.00 173.24 178.15 3hal h GLN 77 N 5.84 0.32 -6.42 5.44 1.08 -1.90 0.17 115.11 119.65 3hal h GLN 77 Ca -0.40 -0.11 -0.63 0.00 -1.45 0.00 0.00 58.65 56.06 3hal h GLN 77 Cb 1.18 -0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 28.43 3hal h GLN 77 CO 0.55 0.54 -0.78 0.95 -0.95 0.00 0.00 178.83 179.14 3hal s THR 78 N -4.51 2.56 -1.39 -0.54 -4.23 -1.26 -4.74 115.64 101.53 3hal s THR 78 Ca -0.06 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.20 3hal s THR 78 Cb 0.14 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.79 3hal s THR 78 CO 0.76 -0.24 2.08 -0.81 -0.54 0.00 0.00 174.62 175.88 3hal n PRO 79 N -0.17 3.16 -1.94 3.99 -0.05 -1.26 -4.77 135.00 133.96 3hal n PRO 79 Ca -0.09 -2.97 -0.30 0.00 -0.05 0.00 0.00 63.50 60.09 3hal n PRO 79 Cb 0.58 -3.15 0.20 0.00 -0.05 0.00 0.00 33.50 31.08 3hal n PRO 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 3hal s SER 80 N 2.30 2.89 0.46 3.54 1.04 -1.26 -4.88 113.70 117.79 3hal s SER 80 Ca 0.44 0.18 0.30 0.00 0.48 0.00 0.00 55.95 57.36 3hal s SER 80 Cb 0.12 -0.15 1.21 0.00 0.10 0.00 0.00 66.02 67.30 3hal s SER 80 CO -0.05 -2.87 1.89 1.05 0.98 0.00 0.00 173.24 174.24 3hal h GLU 81 N -1.74 0.00 0.00 4.02 4.11 -1.99 -0.80 114.58 118.18 3hal h GLU 81 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3hal h GLU 81 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hal h GLU 81 CO 0.33 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.80 3hal n GLU 82 N -2.84 0.12 0.00 1.06 4.71 -1.26 -3.25 120.64 119.17 3hal n GLU 82 Ca 0.01 0.14 0.12 0.00 -0.01 0.00 0.00 57.16 57.42 3hal n GLU 82 Cb 0.30 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.31 3hal n GLU 82 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hal s LEU 84 N -2.28 4.33 0.08 0.00 1.43 -1.20 -4.50 118.68 116.54 3hal s LEU 84 Ca 0.23 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.51 3hal s LEU 84 Cb 0.19 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 3hal s LEU 84 CO 0.46 -0.05 -0.21 -0.36 0.23 0.00 0.00 176.35 176.42 3hal s PHE 85 N 0.57 1.81 -0.31 0.29 0.08 -0.53 -1.38 117.98 118.50 3hal s PHE 85 Ca 0.34 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 3hal s PHE 85 Cb -0.17 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 3hal s PHE 85 CO 0.16 0.16 0.41 -0.51 -0.10 0.00 0.00 175.22 175.34 3hal s LEU 86 N -1.60 4.25 -0.23 -0.37 1.43 0.15 -0.75 118.68 121.56 3hal s LEU 86 Ca 0.07 0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 3hal s LEU 86 Cb -0.09 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 3hal s LEU 86 CO 0.03 -0.32 0.37 -0.70 0.23 0.00 0.00 176.35 175.96 3hal s GLU 87 N 2.15 4.12 -0.05 1.70 2.12 -0.32 -0.95 118.70 127.47 3hal s GLU 87 Ca 0.15 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.64 3hal s GLU 87 Cb -0.16 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 3hal s GLU 87 CO 0.11 -0.10 -0.19 1.03 -0.54 0.00 0.00 175.26 175.57 3hal s ARG 88 N 1.51 1.95 -0.10 4.30 1.81 -0.28 -4.84 118.95 123.31 3hal s ARG 88 Ca 0.17 -0.68 -0.24 0.00 -1.72 0.00 0.00 55.73 53.26 3hal s ARG 88 Cb -0.15 -1.69 -0.03 0.00 -0.45 0.00 0.00 34.95 32.63 3hal s ARG 88 CO 0.08 0.28 0.76 -0.51 -0.68 0.00 0.00 175.30 175.23 3hal s LEU 89 N -0.02 4.26 0.00 2.53 1.02 -1.26 -1.04 118.68 124.17 3hal s LEU 89 Ca -0.04 1.19 0.00 0.00 0.02 0.00 0.00 54.13 55.31 3hal s LEU 89 Cb -0.12 -3.16 0.00 0.00 0.02 0.00 0.00 46.19 42.94 3hal s LEU 89 CO 0.02 -0.23 0.00 -0.62 0.02 0.00 0.00 176.35 175.54 3hal n GLU 90 N 4.35 2.01 -2.29 1.70 -0.58 0.68 -4.96 120.64 121.56 3hal n GLU 90 Ca 0.01 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.38 3hal n GLU 90 Cb 0.50 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.36 3hal n GLU 90 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hal s GLU 91 N -0.87 3.84 -0.93 3.49 2.02 -1.26 -3.59 118.70 121.39 3hal s GLU 91 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.75 3hal s GLU 91 Cb 0.00 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3hal s GLU 91 CO 0.00 -0.48 0.00 0.09 0.02 0.00 0.00 175.26 174.89 3hal n ASN 92 N -0.38 -3.61 0.00 -0.19 3.02 -1.26 -2.86 115.26 109.99 3hal n ASN 92 Ca 0.07 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3hal n ASN 92 Cb 0.48 -2.72 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 3hal n ASN 92 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3hal n HIS 93 N -3.79 0.00 -2.59 3.10 8.25 -1.24 -4.98 115.22 113.97 3hal n HIS 93 Ca -0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.96 3hal n HIS 93 Cb 0.55 -1.20 -0.05 0.00 1.12 0.00 0.00 29.99 30.41 3hal n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3hal s TYR 94 N -1.53 3.46 0.21 4.41 2.02 -1.13 -4.52 117.35 120.27 3hal s TYR 94 Ca 0.00 1.70 0.11 0.00 -0.37 0.00 0.00 57.07 58.50 3hal s TYR 94 Cb 0.00 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 3hal s TYR 94 CO 0.00 -0.37 -0.16 -0.80 -1.57 0.00 0.00 175.55 172.65 3hal s ASN 95 N -1.43 3.85 0.16 2.29 0.01 0.11 -0.23 114.94 119.70 3hal s ASN 95 Ca 0.53 -0.78 0.08 0.00 -0.71 0.00 0.00 52.86 51.98 3hal s ASN 95 Cb -0.23 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 3hal s ASN 95 CO 0.29 0.09 -0.07 0.42 -1.51 0.00 0.00 177.10 176.32 3hal s THR 96 N -1.92 3.38 -0.20 1.60 -4.23 -0.21 -0.62 115.64 113.44 3hal s THR 96 Ca 0.25 -1.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3hal s THR 96 Cb -0.07 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.15 3hal s THR 96 CO 0.14 -0.07 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.76 3hal s TYR 97 N -1.62 2.28 -0.16 3.99 2.02 -1.26 -1.12 117.35 121.48 3hal s TYR 97 Ca 0.25 -1.55 -0.07 0.00 -0.37 0.00 0.00 57.07 55.33 3hal s TYR 97 Cb -0.09 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 3hal s TYR 97 CO 0.16 -0.73 0.09 0.99 -1.57 0.00 0.00 175.55 174.49 3hal s THR 98 N 1.44 5.09 0.10 -0.71 2.01 -0.13 -0.79 115.64 122.65 3hal s THR 98 Ca -0.02 0.07 -0.33 0.00 0.31 0.00 0.00 61.69 61.71 3hal s THR 98 Cb -0.17 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 68.95 3hal s THR 98 CO -0.07 0.52 1.71 -0.24 -0.69 0.00 0.00 174.62 175.84 3hal n SER 99 N 2.94 3.44 -0.09 3.53 2.88 -0.31 0.30 113.62 126.30 3hal n SER 99 Ca -0.18 1.04 -0.13 0.00 -1.33 0.00 0.00 58.87 58.27 3hal n SER 99 Cb 0.53 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 3hal n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hal h LYS 100 N 7.22 0.68 -0.91 -1.46 3.64 -1.55 -0.81 116.57 123.37 3hal h LYS 100 Ca -0.46 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 58.62 3hal h LYS 100 Cb 1.25 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 3hal h LYS 100 CO 0.92 0.95 0.60 -0.22 -2.27 0.00 0.00 179.45 179.43 3hal h LYS 101 N 0.42 1.07 -0.48 1.90 3.64 -1.79 -2.79 116.57 118.54 3hal h LYS 101 Ca 0.05 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 3hal h LYS 101 Cb 0.81 -0.24 -0.14 0.00 -0.41 0.00 0.00 32.23 32.25 3hal h LYS 101 CO 0.06 0.71 0.06 0.72 -2.27 0.00 0.00 179.45 178.73 3hal n HIS 102 N -4.46 1.48 0.20 1.91 8.25 -1.13 -4.73 115.22 116.74 3hal n HIS 102 Ca 0.13 -1.64 0.05 0.00 -0.26 0.00 0.00 57.72 56.00 3hal n HIS 102 Cb 0.14 -0.58 0.42 0.00 1.12 0.00 0.00 29.99 31.09 3hal n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hal h ALA 103 N 1.04 1.27 0.00 -1.41 0.00 -0.85 -2.35 119.26 116.96 3hal h ALA 103 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hal h ALA 103 Cb 1.90 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3hal h ALA 103 CO 0.53 0.41 0.00 1.05 0.00 0.00 0.00 179.25 181.24 3hal h GLU 104 N 0.00 0.00 -0.16 0.00 9.09 -1.85 -0.68 114.58 120.99 3hal h GLU 104 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hal h GLU 104 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3hal h GLU 104 CO 0.04 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.73 3hal n LYS 105 N -2.84 2.24 -3.77 1.06 5.02 -0.89 -4.99 118.16 113.99 3hal n LYS 105 Ca 0.02 -1.84 -0.24 0.00 -2.02 0.00 0.00 58.31 54.23 3hal n LYS 105 Cb 0.31 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3hal n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hal n ASN 106 N 1.15 -1.83 -4.59 4.39 3.02 -0.26 -4.93 115.26 112.20 3hal n ASN 106 Ca 0.17 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 3hal n ASN 106 Cb 0.54 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.76 3hal n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3hal s TRP 107 N -3.62 2.91 0.26 3.10 0.52 -1.21 -4.76 118.94 116.14 3hal s TRP 107 Ca 0.14 0.62 -0.04 0.00 0.02 0.00 0.00 56.10 56.84 3hal s TRP 107 Cb -0.07 -4.11 -0.05 0.00 -1.15 0.00 0.00 33.47 28.09 3hal s TRP 107 CO 0.82 -1.12 0.50 -0.06 0.02 0.00 0.00 176.95 177.12 3hal s PHE 108 N 4.01 3.48 0.19 -1.98 0.40 -1.26 -1.16 117.98 121.65 3hal s PHE 108 Ca 0.42 0.57 -0.31 0.00 -0.60 0.00 0.00 56.93 57.01 3hal s PHE 108 Cb -0.09 -2.04 -0.10 0.00 0.51 0.00 0.00 43.02 41.29 3hal s PHE 108 CO 0.27 0.24 1.57 0.08 0.70 0.00 0.00 175.22 178.08 3hal s VAL 109 N -2.00 2.51 -0.02 -0.44 1.01 0.03 -4.31 120.40 117.17 3hal s VAL 109 Ca 0.42 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.53 3hal s VAL 109 Cb -0.11 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.08 3hal s VAL 109 CO 0.29 0.04 0.54 -0.83 0.00 0.00 0.00 175.10 175.14 3hal s GLY 110 N 1.00 -0.43 -0.06 4.51 0.00 -1.26 -4.38 107.32 106.70 3hal s GLY 110 Ca 0.69 0.90 0.05 0.00 0.00 0.00 0.00 44.72 46.36 3hal s GLY 110 CO 0.34 0.60 -0.21 1.08 0.00 0.00 0.00 173.10 174.91 3hal s LEU 111 N -1.36 1.98 0.98 0.66 1.43 -0.64 -0.96 118.68 120.76 3hal s LEU 111 Ca -0.11 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 3hal s LEU 111 Cb -0.02 -1.17 0.17 0.00 0.03 0.00 0.00 46.19 45.21 3hal s LEU 111 CO 0.06 0.18 1.09 -0.54 0.23 0.00 0.00 176.35 177.37 3hal s LYS 112 N 0.04 0.61 0.57 1.70 1.02 0.53 -4.47 119.74 119.74 3hal s LYS 112 Ca -0.06 0.64 0.34 0.00 0.02 0.00 0.00 55.97 56.91 3hal s LYS 112 Cb -0.13 -1.75 1.63 0.00 -0.52 0.00 0.00 37.83 37.05 3hal s LYS 112 CO 0.04 -2.64 2.09 0.87 -0.92 0.00 0.00 175.35 174.79 3hal h LYS 113 N -1.83 0.00 -0.29 1.68 1.57 -1.87 -1.93 116.57 113.89 3hal h LYS 113 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3hal h LYS 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3hal h LYS 113 CO 0.56 0.05 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 3hal n ASN 114 N -3.23 1.97 0.00 0.86 0.23 -1.26 -4.61 115.26 109.22 3hal n ASN 114 Ca -0.01 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 3hal n ASN 114 Cb 0.24 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3hal n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hal n GLY 115 N 1.14 1.36 3.84 4.83 0.00 -0.73 -4.98 105.19 110.66 3hal n GLY 115 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3hal n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hal s SER 116 N -2.99 6.72 0.19 1.61 0.01 -1.26 -0.11 113.70 117.87 3hal s SER 116 Ca 0.00 1.58 -0.33 0.00 1.31 0.00 0.00 55.95 58.51 3hal s SER 116 Cb 0.00 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.58 3hal s SER 116 CO 0.00 -0.49 1.39 0.00 0.41 0.00 0.00 173.24 174.54 3hal s LYS 118 N -0.01 3.17 0.61 0.00 2.20 -0.13 -4.65 119.74 120.92 3hal s LYS 118 Ca 0.73 -0.66 -0.18 0.00 -0.36 0.00 0.00 55.97 55.50 3hal s LYS 118 Cb -0.73 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 31.61 3hal s LYS 118 CO 0.47 -0.85 1.22 1.03 -0.36 0.00 0.00 175.35 176.86 3hal s ARG 119 N 2.25 2.86 0.22 4.03 0.52 -1.26 -4.05 118.95 123.52 3hal s ARG 119 Ca 0.14 1.86 -0.17 0.00 -0.52 0.00 0.00 55.73 57.03 3hal s ARG 119 Cb -0.16 -1.91 0.23 0.00 0.52 0.00 0.00 34.95 33.62 3hal s ARG 119 CO 0.14 -1.30 1.57 0.78 0.02 0.00 0.00 175.30 176.52 3hal h GLY 120 N 0.76 0.13 2.00 -3.53 0.00 -1.14 0.13 103.07 101.42 3hal h GLY 120 Ca -0.50 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3hal h GLY 120 CO 0.54 -0.23 0.00 -2.55 0.00 0.00 0.00 176.54 174.30 3hal h PRO 121 N -0.06 0.00 -0.03 4.80 0.11 -1.86 -1.43 132.00 133.53 3hal h PRO 121 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3hal h PRO 121 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3hal h PRO 121 CO -0.85 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.48 3hal n ARG 122 N -2.98 2.10 -3.13 1.05 5.12 0.45 -4.93 116.66 114.34 3hal n ARG 122 Ca -0.02 -1.59 -0.26 0.00 -1.93 0.00 0.00 57.85 54.04 3hal n ARG 122 Cb 0.09 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 3hal n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3hal s THR 123 N -2.00 5.02 -0.21 0.55 -4.23 -0.54 -4.95 115.64 109.29 3hal s THR 123 Ca 0.32 -0.15 -0.27 0.00 -1.18 0.00 0.00 61.69 60.41 3hal s THR 123 Cb 0.20 -3.84 0.09 0.00 1.34 0.00 0.00 72.50 70.30 3hal s THR 123 CO 0.31 -0.61 0.84 -1.38 -0.54 0.00 0.00 174.62 173.24 3hal s HIS 124 N -2.41 -0.60 0.09 3.99 -3.43 -1.26 -4.88 115.29 106.79 3hal s HIS 124 Ca 0.43 1.32 -0.36 0.00 -0.80 0.00 0.00 55.06 55.65 3hal s HIS 124 Cb -0.10 0.36 -0.17 0.00 -1.43 0.00 0.00 32.58 31.24 3hal s HIS 124 CO 0.38 -0.38 1.32 0.98 -2.00 0.00 0.00 174.74 175.03 3hal n TYR 125 N 1.84 1.48 0.00 0.38 9.36 -1.26 -2.15 117.16 126.81 3hal n TYR 125 Ca -0.14 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.73 3hal n TYR 125 Cb 0.56 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 3hal n TYR 125 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hal n GLY 126 N 2.46 2.76 3.78 2.98 0.00 -1.26 -5.09 105.19 110.82 3hal n GLY 126 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3hal n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hal s GLN 127 N -0.43 4.47 0.50 1.61 -0.21 -0.91 -4.94 119.66 119.74 3hal s GLN 127 Ca 0.00 1.40 0.28 0.00 0.02 0.00 0.00 55.36 57.06 3hal s GLN 127 Cb 0.00 -2.73 1.21 0.00 1.00 0.00 0.00 33.01 32.49 3hal s GLN 127 CO 0.00 0.16 1.94 0.87 -2.12 0.00 0.00 175.29 176.14 3hal h LYS 128 N 2.99 0.00 -0.20 2.91 1.79 -1.96 -3.14 116.57 118.96 3hal h LYS 128 Ca -0.47 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.06 3hal h LYS 128 Cb 1.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3hal h LYS 128 CO 0.64 0.13 0.16 0.00 -1.08 0.00 0.00 179.45 179.31 3hal h ALA 129 N 1.87 2.04 -0.03 3.86 0.00 -1.92 -2.51 119.26 122.57 3hal h ALA 129 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hal h ALA 129 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hal h ALA 129 CO 0.02 -0.27 -0.01 0.44 0.00 0.00 0.00 179.25 179.43 3hal n ILE 130 N -4.22 0.00 -3.50 0.00 -5.35 -1.19 -1.62 119.36 103.49 3hal n ILE 130 Ca 0.02 -0.49 -0.38 0.00 -0.27 0.00 0.00 62.75 61.62 3hal n ILE 130 Cb 0.30 1.48 -0.10 0.00 -1.74 0.00 0.00 39.64 39.59 3hal n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3hal s LEU 131 N -1.98 4.06 -0.09 7.28 1.43 -0.94 -4.35 118.68 124.08 3hal s LEU 131 Ca 0.27 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 3hal s LEU 131 Cb 0.20 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3hal s LEU 131 CO 0.30 -0.09 -0.20 -0.36 0.23 0.00 0.00 176.35 176.23 3hal s PHE 132 N 1.71 2.25 -0.30 0.29 0.40 0.21 -3.27 117.98 119.26 3hal s PHE 132 Ca 0.12 -0.92 -0.11 0.00 -0.60 0.00 0.00 56.93 55.42 3hal s PHE 132 Cb -0.15 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.82 3hal s PHE 132 CO 0.09 -0.39 0.18 -1.17 0.70 0.00 0.00 175.22 174.63 3hal s LEU 133 N 0.47 4.13 0.06 -0.37 2.96 0.25 0.04 118.68 126.22 3hal s LEU 133 Ca -0.17 -0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.11 3hal s LEU 133 Cb -0.17 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.40 3hal s LEU 133 CO 0.07 -0.15 1.20 -2.84 -1.32 0.00 0.00 176.35 173.30 3hal s PRO 134 N 1.68 4.43 0.15 0.98 0.02 -1.26 -1.40 135.00 139.60 3hal s PRO 134 Ca 0.06 1.77 0.11 0.00 0.02 0.00 0.00 61.00 62.96 3hal s PRO 134 Cb -0.17 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3hal s PRO 134 CO 0.08 -0.25 -0.25 -0.51 -0.33 0.00 0.00 177.00 175.74 3hal s LEU 135 N 1.04 2.35 0.62 -5.54 1.43 0.83 -4.94 118.68 114.47 3hal s LEU 135 Ca 0.59 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 3hal s LEU 135 Cb -0.30 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3hal s LEU 135 CO 0.29 0.15 1.11 -2.84 0.23 0.00 0.00 176.35 175.30 3hal s PRO 136 N -2.24 3.01 0.00 1.29 0.02 -1.26 -0.66 135.00 135.17 3hal s PRO 136 Ca 0.15 1.46 0.32 0.00 0.02 0.00 0.00 61.00 62.95 3hal s PRO 136 Cb -0.09 -1.97 1.89 0.00 0.02 0.00 0.00 34.50 34.35 3hal s PRO 136 CO 0.07 -1.09 2.21 1.33 -0.33 0.00 0.00 177.00 179.19