#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hth s PHE 4 N 0.00 3.87 0.24 -1.55 0.08 -1.26 -4.72 117.98 114.64 2hth s PHE 4 Ca 0.00 1.72 0.10 0.00 0.12 0.00 0.00 56.93 58.87 2hth s PHE 4 Cb 0.00 -2.91 -0.04 0.00 -0.57 0.00 0.00 43.02 39.49 2hth s PHE 4 CO 0.00 0.37 -0.10 0.14 -0.10 0.00 0.00 175.22 175.52 2hth s VAL 5 N -0.61 3.02 0.38 -0.44 -7.23 -0.85 -4.87 120.40 109.79 2hth s VAL 5 Ca 0.41 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 2hth s VAL 5 Cb -0.23 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 2hth s VAL 5 CO 0.28 -0.29 1.35 0.86 -0.31 0.00 0.00 175.10 176.99 2hth s TRP 6 N -2.16 2.82 -0.02 2.82 -0.00 -1.26 -1.44 118.94 119.70 2hth s TRP 6 Ca 0.28 1.35 -0.06 0.00 -0.00 0.00 0.00 56.10 57.67 2hth s TRP 6 Cb -0.07 -3.77 0.00 0.00 -0.00 0.00 0.00 33.47 29.64 2hth s TRP 6 CO 0.16 -2.26 0.13 -0.08 -0.00 0.00 0.00 176.95 174.90 2hth s THR 7 N -1.19 0.06 0.44 5.86 -1.32 0.29 -4.81 115.64 114.97 2hth s THR 7 Ca 0.54 -0.47 0.23 0.00 -1.21 0.00 0.00 61.69 60.78 2hth s THR 7 Cb -0.41 -0.35 0.26 0.00 -1.51 0.00 0.00 72.50 70.49 2hth s THR 7 CO 0.54 -0.26 2.06 0.77 -2.21 0.00 0.00 174.62 175.52 2hth h SER 8 N 4.86 0.00 0.00 8.08 4.64 -1.95 -1.66 113.55 127.52 2hth h SER 8 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2hth h SER 8 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2hth h SER 8 CO 0.41 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2hth n GLY 9 N -0.85 3.00 3.76 -0.77 0.00 -1.26 -4.66 105.19 104.41 2hth n GLY 9 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2hth n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hth s LEU 10 N 0.00 3.64 0.02 0.99 1.43 -1.26 -5.00 118.68 118.50 2hth s LEU 10 Ca 0.00 2.26 -0.19 0.00 -1.03 0.00 0.00 54.13 55.17 2hth s LEU 10 Cb 0.00 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.58 2hth s LEU 10 CO 0.00 -1.49 0.56 -0.76 0.23 0.00 0.00 176.35 174.88 2hth s LEU 11 N -4.12 4.46 1.13 1.79 1.02 -1.26 -5.08 118.68 116.61 2hth s LEU 11 Ca 0.74 1.16 -0.12 0.00 0.02 0.00 0.00 54.13 55.92 2hth s LEU 11 Cb -0.27 -2.86 0.27 0.00 0.02 0.00 0.00 46.19 43.35 2hth s LEU 11 CO 0.32 0.19 1.04 -1.61 0.02 0.00 0.00 176.35 176.32 2hth s GLU 12 N -0.60 -0.67 0.19 1.70 0.41 -1.26 -4.88 118.70 113.60 2hth s GLU 12 Ca 0.29 0.94 -0.16 0.00 -0.41 0.00 0.00 54.97 55.62 2hth s GLU 12 Cb -0.18 -1.58 0.17 0.00 -1.78 0.00 0.00 34.13 30.76 2hth s GLU 12 CO 0.17 -3.59 1.63 0.82 -0.49 0.00 0.00 175.26 173.80 2hth h ILE 13 N -2.53 0.38 -0.88 -1.63 2.04 -2.07 -2.04 117.51 110.79 2hth h ILE 13 Ca -0.59 0.00 -0.54 0.00 1.00 0.00 0.00 64.86 64.73 2hth h ILE 13 Cb 1.32 0.38 -0.28 0.00 -0.74 0.00 0.00 36.82 37.50 2hth h ILE 13 CO 0.49 0.00 0.48 0.59 0.00 0.00 0.00 178.15 179.71 2hth n ASN 14 N -5.40 5.28 -4.42 1.72 3.02 -1.26 -4.93 115.26 109.27 2hth n ASN 14 Ca 0.05 -3.73 -0.35 0.00 -0.03 0.00 0.00 54.58 50.53 2hth n ASN 14 Cb 0.31 -0.81 -0.13 0.00 -0.61 0.00 0.00 39.78 38.53 2hth n ASN 14 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2hth s GLU 15 N -3.54 3.55 0.05 3.52 2.12 -0.77 -4.97 118.70 118.66 2hth s GLU 15 Ca 0.58 -0.55 0.06 0.00 0.36 0.00 0.00 54.97 55.41 2hth s GLU 15 Cb 0.47 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 2hth s GLU 15 CO 0.04 0.01 -0.14 0.99 -0.54 0.00 0.00 175.26 175.61 2hth s THR 16 N 0.99 3.11 0.10 -1.70 2.01 -1.26 -4.68 115.64 114.20 2hth s THR 16 Ca 0.01 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.59 2hth s THR 16 Cb -0.14 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.95 2hth s THR 16 CO 0.01 0.30 1.12 -0.22 -0.69 0.00 0.00 174.62 175.14 2hth s LEU 17 N -1.60 4.42 -0.20 4.42 2.96 -1.26 -0.25 118.68 127.16 2hth s LEU 17 Ca 0.17 1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 55.96 2hth s LEU 17 Cb -0.11 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 2hth s LEU 17 CO 0.08 -0.33 -0.25 0.52 -1.32 0.00 0.00 176.35 175.04 2hth n VAL 18 N 3.30 1.09 -3.62 1.68 0.31 -0.06 -4.92 118.33 116.11 2hth n VAL 18 Ca 0.06 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 2hth n VAL 18 Cb 0.47 -1.74 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 2hth n VAL 18 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2hth s ILE 19 N -2.36 0.01 0.05 2.52 2.07 -1.05 -5.03 121.20 117.39 2hth s ILE 19 Ca -0.28 -0.08 0.06 0.00 -1.41 0.00 0.00 60.65 58.94 2hth s ILE 19 Cb 0.11 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 2hth s ILE 19 CO 0.35 -0.04 -0.16 0.00 -1.91 0.00 0.00 174.94 173.18 2hth s GLN 20 N -0.58 1.05 -0.07 3.50 -2.07 -1.26 -1.02 119.66 119.20 2hth s GLN 20 Ca -0.07 -0.84 -0.03 0.00 -1.82 0.00 0.00 55.36 52.61 2hth s GLN 20 Cb -0.03 -1.10 0.04 0.00 -1.09 0.00 0.00 33.01 30.84 2hth s GLN 20 CO 0.05 0.27 0.15 -1.14 -1.32 0.00 0.00 175.29 173.30 2hth s GLN 21 N -1.22 0.06 0.79 9.60 2.00 0.11 -4.98 119.66 126.02 2hth s GLN 21 Ca 0.03 0.47 -0.12 0.00 -2.00 0.00 0.00 55.36 53.74 2hth s GLN 21 Cb -0.08 -0.23 0.07 0.00 0.80 0.00 0.00 33.01 33.57 2hth s GLN 21 CO 0.02 -0.24 1.14 1.03 -0.50 0.00 0.00 175.29 176.74 2hth s ARG 22 N 1.76 1.89 0.00 1.67 0.52 -1.26 -0.66 118.95 122.87 2hth s ARG 22 Ca -0.03 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 2hth s ARG 22 Cb -0.12 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2hth s ARG 22 CO -0.06 -1.96 0.00 0.41 0.02 0.00 0.00 175.30 173.71 2hth n GLY 23 N -0.26 0.55 3.67 -3.53 0.00 -1.01 -4.49 105.19 100.12 2hth n GLY 23 Ca 0.11 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2hth n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hth s VAL 24 N -2.00 4.66 0.06 1.61 1.01 -0.06 -1.34 120.40 124.33 2hth s VAL 24 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2hth s VAL 24 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2hth s VAL 24 CO 0.00 0.53 -0.03 -0.13 0.00 0.00 0.00 175.10 175.48 2hth s ARG 25 N -0.22 2.52 -0.27 2.72 0.52 -0.25 -0.11 118.95 123.86 2hth s ARG 25 Ca 0.07 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2hth s ARG 25 Cb -0.12 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.86 2hth s ARG 25 CO 0.02 0.56 -0.04 0.42 0.02 0.00 0.00 175.30 176.28 2hth s ILE 26 N -1.21 2.93 0.19 1.52 1.01 -1.19 -0.83 121.20 123.63 2hth s ILE 26 Ca 0.23 -1.16 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 2hth s ILE 26 Cb -0.11 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 2hth s ILE 26 CO 0.15 0.08 0.47 -0.31 0.00 0.00 0.00 174.94 175.33 2hth s TYR 27 N 1.30 3.45 -0.33 3.97 2.02 -0.49 -2.05 117.35 125.22 2hth s TYR 27 Ca -0.02 0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 57.31 2hth s TYR 27 Cb -0.18 -2.15 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 2hth s TYR 27 CO -0.03 0.34 0.20 0.34 -1.57 0.00 0.00 175.55 174.83 2hth s ASP 28 N -2.38 5.80 1.90 2.29 2.15 -1.21 -1.82 116.67 123.40 2hth s ASP 28 Ca 0.44 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2hth s ASP 28 Cb -0.12 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2hth s ASP 28 CO 0.23 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2hth n GLY 29 N 5.04 1.30 0.62 2.66 0.00 -1.10 -2.12 105.19 111.59 2hth n GLY 29 Ca -0.13 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.38 2hth n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hth n GLU 30 N 0.00 1.81 -0.66 1.61 -0.58 -1.26 -4.76 120.64 116.80 2hth n GLU 30 Ca 0.00 -1.70 -0.25 0.00 -0.42 0.00 0.00 57.16 54.80 2hth n GLU 30 Cb 0.00 -1.28 0.13 0.00 -0.57 0.00 0.00 31.44 29.72 2hth n GLU 30 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2hth n GLU 31 N 0.69 -1.57 0.00 3.49 -0.58 -0.90 -4.96 120.64 116.81 2hth n GLU 31 Ca 0.10 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 2hth n GLU 31 Cb 0.38 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 2hth n GLU 31 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2hth n LYS 32 N -0.98 0.00 -2.01 3.49 4.81 -1.26 -4.81 118.16 117.40 2hth n LYS 32 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2hth n LYS 32 Cb 0.49 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.59 2hth n LYS 32 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2hth n ILE 33 N 0.00 0.00 -3.15 3.15 -6.64 -1.26 -5.15 119.36 106.31 2hth n ILE 33 Ca 0.00 -0.43 0.05 0.00 -1.77 0.00 0.00 62.75 60.59 2hth n ILE 33 Cb 0.00 0.71 -0.01 0.00 -1.44 0.00 0.00 39.64 38.89 2hth n ILE 33 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2hth s LYS 34 N 0.05 0.36 0.19 6.28 1.02 -1.26 -5.03 119.74 121.34 2hth s LYS 34 Ca 0.04 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.61 2hth s LYS 34 Cb 0.18 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.81 2hth s LYS 34 CO -0.05 -0.43 0.00 0.34 -0.92 0.00 0.00 175.35 174.28 2hth n PHE 35 N 5.42 -3.13 -1.22 3.18 7.35 -0.87 -3.31 117.46 124.90 2hth n PHE 35 Ca -0.02 0.65 -0.29 0.00 -0.76 0.00 0.00 57.45 57.02 2hth n PHE 35 Cb 0.53 1.86 0.20 0.00 0.35 0.00 0.00 39.48 42.43 2hth n PHE 35 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2hth s ASP 36 N -1.48 1.89 -0.05 -2.13 2.15 -0.94 -4.43 116.67 111.67 2hth s ASP 36 Ca 0.00 0.82 -0.02 0.00 0.43 0.00 0.00 52.55 53.79 2hth s ASP 36 Cb 0.00 -1.23 0.03 0.00 -0.30 0.00 0.00 42.92 41.41 2hth s ASP 36 CO 0.00 -3.54 0.03 0.00 -0.17 0.00 0.00 175.17 171.49 2hth s ALA 37 N -3.08 0.45 0.00 3.66 0.00 -1.26 -3.15 121.76 118.38 2hth s ALA 37 Ca 0.68 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2hth s ALA 37 Cb -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2hth s ALA 37 CO 0.56 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.26 2hth n GLY 38 N 5.21 -1.39 3.67 0.00 0.00 0.85 -3.18 105.19 110.35 2hth n GLY 38 Ca -0.05 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 2hth n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hth s THR 39 N -2.62 4.92 -0.18 2.61 2.01 -0.47 -0.88 115.64 121.03 2hth s THR 39 Ca 0.00 1.50 -0.14 0.00 0.31 0.00 0.00 61.69 63.35 2hth s THR 39 Cb 0.00 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2hth s THR 39 CO 0.00 0.05 0.32 -0.22 -0.69 0.00 0.00 174.62 174.08 2hth s LEU 40 N 2.08 4.21 -0.11 4.42 2.96 0.16 -1.68 118.68 130.72 2hth s LEU 40 Ca 0.35 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2hth s LEU 40 Cb -0.16 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 2hth s LEU 40 CO 0.12 0.04 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.27 2hth s LEU 41 N 0.77 2.59 -0.18 -0.68 1.02 0.56 0.09 118.68 122.85 2hth s LEU 41 Ca 0.17 -0.35 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 2hth s LEU 41 Cb -0.14 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 2hth s LEU 41 CO 0.05 0.20 -0.01 -0.22 0.02 0.00 0.00 176.35 176.40 2hth s LEU 42 N 0.11 3.29 0.00 1.79 2.96 -0.19 -0.23 118.68 126.41 2hth s LEU 42 Ca -0.07 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2hth s LEU 42 Cb -0.15 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.73 2hth s LEU 42 CO 0.05 0.12 0.05 -1.54 -1.32 0.00 0.00 176.35 173.71 2hth n SER 43 N 3.89 2.21 0.26 3.68 3.41 0.21 -0.88 113.62 126.39 2hth n SER 43 Ca -0.17 -1.78 0.14 0.00 -0.26 0.00 0.00 58.87 56.80 2hth n SER 43 Cb 0.52 0.08 0.67 0.00 -0.26 0.00 0.00 64.21 65.22 2hth n SER 43 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2hth h THR 44 N 0.90 0.31 0.00 6.66 1.35 -0.98 -3.34 112.91 117.82 2hth h THR 44 Ca -0.15 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2hth h THR 44 Cb 0.47 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2hth h THR 44 CO 0.24 0.10 -1.11 1.41 -0.25 0.00 0.00 175.52 175.91 2hth n HIS 45 N -3.31 0.00 -3.75 4.73 8.25 -1.26 -4.30 115.22 115.58 2hth n HIS 45 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 2hth n HIS 45 Cb 0.31 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 2hth n HIS 45 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2hth s ARG 46 N -2.18 0.79 -0.32 -0.41 0.52 -1.25 -0.99 118.95 115.10 2hth s ARG 46 Ca -0.01 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 2hth s ARG 46 Cb 0.02 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.82 2hth s ARG 46 CO 0.13 -0.25 0.18 -1.17 0.02 0.00 0.00 175.30 174.21 2hth s LEU 47 N -1.86 4.24 -0.13 2.53 2.96 -0.57 -0.62 118.68 125.23 2hth s LEU 47 Ca -0.07 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2hth s LEU 47 Cb -0.02 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2hth s LEU 47 CO -0.01 -0.20 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.10 2hth s ILE 48 N 1.65 3.45 0.06 6.68 1.01 0.68 -2.03 121.20 132.71 2hth s ILE 48 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2hth s ILE 48 Cb -0.17 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.79 2hth s ILE 48 CO 0.08 0.52 0.01 0.86 0.00 0.00 0.00 174.94 176.41 2hth s TRP 49 N 0.18 3.04 -0.19 3.97 -0.11 0.11 -0.32 118.94 125.61 2hth s TRP 49 Ca -0.05 0.02 -0.05 0.00 1.22 0.00 0.00 56.10 57.25 2hth s TRP 49 Cb -0.14 -1.59 0.10 0.00 -1.50 0.00 0.00 33.47 30.33 2hth s TRP 49 CO 0.04 0.48 0.35 0.50 -4.62 0.00 0.00 176.95 173.70 2hth s ARG 50 N -2.08 0.27 0.52 5.86 3.52 -0.68 -2.35 118.95 124.02 2hth s ARG 50 Ca 0.24 0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 56.35 2hth s ARG 50 Cb -0.12 -0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.06 2hth s ARG 50 CO 0.16 -0.42 1.26 0.34 -0.81 0.00 0.00 175.30 175.84 2hth s ASP 51 N 2.52 5.62 0.23 -2.12 2.15 -1.26 -1.37 116.67 122.44 2hth s ASP 51 Ca 0.04 2.54 -0.32 0.00 0.43 0.00 0.00 52.55 55.24 2hth s ASP 51 Cb -0.13 -2.62 -0.13 0.00 -0.30 0.00 0.00 42.92 39.74 2hth s ASP 51 CO -0.12 -1.31 1.59 0.00 -0.17 0.00 0.00 175.17 175.15 2hth n GLN 52 N -0.87 2.46 -1.31 4.34 1.13 -1.19 -2.48 117.38 119.46 2hth n GLN 52 Ca 0.09 0.88 -0.11 0.00 -1.94 0.00 0.00 57.00 55.93 2hth n GLN 52 Cb 0.47 -2.65 -0.05 0.00 0.11 0.00 0.00 30.24 28.12 2hth n GLN 52 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hth n LYS 53 N 2.89 -1.43 0.00 -1.09 5.02 -1.26 -4.80 118.16 117.49 2hth n LYS 53 Ca 0.13 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 2hth n LYS 53 Cb 0.33 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 2hth n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hth n ASN 54 N -0.88 -4.79 -1.61 4.39 5.15 -1.03 -5.06 115.26 111.43 2hth n ASN 54 Ca -0.11 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2hth n ASN 54 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 2hth n ASN 54 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2hth n HIS 55 N -1.41 -0.34 0.00 1.20 -0.00 -1.26 -4.84 115.22 108.57 2hth n HIS 55 Ca 0.00 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.32 2hth n HIS 55 Cb 0.00 -1.73 0.00 0.00 -0.12 0.00 0.00 29.99 28.14 2hth n HIS 55 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2hth n GLU 56 N -0.21 0.00 -0.81 1.57 2.13 -1.26 -4.98 120.64 117.09 2hth n GLU 56 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2hth n GLU 56 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 2hth n GLU 56 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2hth s MET 59 N -4.02 2.41 0.01 0.00 -1.94 -0.99 0.10 119.30 114.87 2hth s MET 59 Ca 0.36 -0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 53.44 2hth s MET 59 Cb -0.09 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 2hth s MET 59 CO 0.29 0.48 0.05 0.00 -0.01 0.00 0.00 175.02 175.83 2hth s ALA 60 N -0.40 -0.09 0.12 3.03 0.00 -0.52 0.04 121.76 123.94 2hth s ALA 60 Ca 0.04 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.74 2hth s ALA 60 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2hth s ALA 60 CO 0.01 -0.18 -0.24 0.96 0.00 0.00 0.00 175.76 176.32 2hth s ILE 61 N -1.36 2.03 0.44 0.00 -4.36 -0.86 -2.01 121.20 115.08 2hth s ILE 61 Ca -0.15 -1.66 -0.22 0.00 -0.26 0.00 0.00 60.65 58.36 2hth s ILE 61 Cb -0.09 -1.81 -0.09 0.00 1.25 0.00 0.00 42.46 41.73 2hth s ILE 61 CO 0.00 0.03 1.05 -0.76 0.24 0.00 0.00 174.94 175.50 2hth s LEU 62 N -1.99 4.01 0.33 0.37 1.43 -1.26 -1.51 118.68 120.06 2hth s LEU 62 Ca 0.11 2.00 0.15 0.00 -1.03 0.00 0.00 54.13 55.36 2hth s LEU 62 Cb -0.10 -4.35 0.53 0.00 0.03 0.00 0.00 46.19 42.30 2hth s LEU 62 CO 0.05 -0.64 1.68 -0.07 0.23 0.00 0.00 176.35 177.60 2hth h LEU 63 N 2.07 0.00 0.00 1.79 3.38 -1.40 -2.41 115.31 118.74 2hth h LEU 63 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2hth h LEU 63 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2hth h LEU 63 CO 0.61 0.47 0.00 -1.54 0.09 0.00 0.00 178.44 178.07 2hth n SER 64 N -3.63 0.00 -0.43 -0.43 3.41 -1.26 -1.22 113.62 110.05 2hth n SER 64 Ca -0.01 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 2hth n SER 64 Cb 0.56 -0.39 0.36 0.00 -0.26 0.00 0.00 64.21 64.48 2hth n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hth n GLN 65 N -1.39 1.34 -3.45 4.33 6.02 -0.91 -4.84 117.38 118.49 2hth n GLN 65 Ca 0.00 -0.87 -0.39 0.00 -0.01 0.00 0.00 57.00 55.74 2hth n GLN 65 Cb 0.01 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 2hth n GLN 65 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hth s ILE 66 N -2.26 5.22 -0.01 5.09 1.01 -0.36 -1.25 121.20 128.64 2hth s ILE 66 Ca 0.29 0.49 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 2hth s ILE 66 Cb 0.20 -3.66 -0.23 0.00 0.01 0.00 0.00 42.46 38.78 2hth s ILE 66 CO 0.43 0.20 1.09 0.58 0.00 0.00 0.00 174.94 177.24 2hth h VAL 67 N 5.31 1.45 -1.73 2.92 2.07 -1.06 -3.47 116.25 121.74 2hth h VAL 67 Ca -0.33 -2.04 0.03 0.00 0.82 0.00 0.00 66.70 65.18 2hth h VAL 67 Cb 1.17 2.63 -0.21 0.00 -1.52 0.00 0.00 31.29 33.35 2hth h VAL 67 CO 0.64 0.58 0.41 0.12 0.02 0.00 0.00 177.57 179.34 2hth s PHE 68 N -3.20 -0.48 0.14 1.57 5.36 -1.23 -5.04 117.98 115.09 2hth s PHE 68 Ca -0.14 0.82 0.04 0.00 -0.96 0.00 0.00 56.93 56.70 2hth s PHE 68 Cb 0.03 0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 43.10 2hth s PHE 68 CO 0.80 -0.45 -0.10 0.96 -1.46 0.00 0.00 175.22 174.98 2hth s ILE 69 N -1.14 1.11 0.23 3.12 -4.36 -1.26 -1.16 121.20 117.74 2hth s ILE 69 Ca -0.05 -1.99 -0.19 0.00 -0.26 0.00 0.00 60.65 58.15 2hth s ILE 69 Cb -0.00 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.96 2hth s ILE 69 CO 0.05 -0.73 0.62 -1.83 0.24 0.00 0.00 174.94 173.29 2hth s GLU 70 N -3.62 1.57 0.05 0.37 -1.05 -0.93 -5.01 118.70 110.08 2hth s GLU 70 Ca 0.15 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 54.08 2hth s GLU 70 Cb 0.02 0.56 -0.04 0.00 -0.44 0.00 0.00 34.13 34.23 2hth s GLU 70 CO 0.00 -0.69 0.04 -1.21 0.95 0.00 0.00 175.26 174.35 2hth s GLU 71 N -3.89 2.82 -0.03 -4.83 2.02 -1.26 -0.76 118.70 112.76 2hth s GLU 71 Ca 0.11 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.46 2hth s GLU 71 Cb -0.03 -2.69 -0.00 0.00 0.10 0.00 0.00 34.13 31.50 2hth s GLU 71 CO 0.02 0.59 -0.13 -1.14 0.02 0.00 0.00 175.26 174.61 2hth s GLN 72 N -2.07 1.25 0.11 1.61 0.74 0.24 -4.94 119.66 116.58 2hth s GLN 72 Ca 0.25 -0.46 -0.31 0.00 0.05 0.00 0.00 55.36 54.89 2hth s GLN 72 Cb -0.12 -1.15 -0.08 0.00 1.10 0.00 0.00 33.01 32.76 2hth s GLN 72 CO 0.17 0.22 1.52 0.00 -0.55 0.00 0.00 175.29 176.64 2hth s ALA 73 N -0.04 3.68 -0.77 1.58 0.00 -1.26 -0.51 121.76 124.44 2hth s ALA 73 Ca -0.00 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 2hth s ALA 73 Cb -0.08 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 2hth s ALA 73 CO 0.01 -0.83 1.94 0.00 0.00 0.00 0.00 175.76 176.88 2hth n ALA 74 N 4.53 3.59 -0.85 0.00 0.00 -1.26 -4.72 120.51 121.79 2hth n ALA 74 Ca 0.14 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.73 2hth n ALA 74 Cb 0.41 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.43 2hth n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hth n GLY 75 N 4.31 3.94 2.68 0.00 0.00 -1.26 -0.18 105.19 114.68 2hth n GLY 75 Ca 0.47 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 46.26 2hth n GLY 75 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hth n ILE 76 N 0.00 3.24 0.00 -0.61 5.41 -1.26 -4.91 119.36 121.23 2hth n ILE 76 Ca 0.00 -4.27 0.00 0.00 1.00 0.00 0.00 62.75 59.48 2hth n ILE 76 Cb 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2hth n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hth n GLY 77 N -0.58 0.54 0.24 7.39 0.00 0.75 -5.08 105.19 108.43 2hth n GLY 77 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2hth n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hth n LYS 78 N 0.00 0.00 -3.65 1.61 5.02 -1.26 -5.12 118.16 114.75 2hth n LYS 78 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2hth n LYS 78 Cb 0.00 -0.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.35 2hth n LYS 78 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2hth s SER 79 N -3.55 -0.69 0.69 4.39 1.04 -1.26 -5.08 113.70 109.24 2hth s SER 79 Ca 0.00 1.32 -0.15 0.00 0.48 0.00 0.00 55.95 57.61 2hth s SER 79 Cb 0.00 1.33 0.02 0.00 0.10 0.00 0.00 66.02 67.47 2hth s SER 79 CO 0.00 -0.23 1.13 0.00 0.98 0.00 0.00 173.24 175.12 2hth s ALA 80 N 0.42 2.36 0.26 5.32 0.00 -1.26 -4.38 121.76 124.48 2hth s ALA 80 Ca -0.01 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 2hth s ALA 80 Cb -0.05 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2hth s ALA 80 CO -0.00 -1.47 0.86 0.15 0.00 0.00 0.00 175.76 175.30 2hth s LYS 81 N -4.13 4.53 -0.16 0.00 1.02 0.34 -4.63 119.74 116.71 2hth s LYS 81 Ca 0.68 1.20 -0.20 0.00 0.02 0.00 0.00 55.97 57.67 2hth s LYS 81 Cb -0.22 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 2hth s LYS 81 CO 0.44 0.39 0.58 0.42 -0.92 0.00 0.00 175.35 176.26 2hth s ILE 82 N -1.45 5.08 -0.21 2.17 1.01 -0.42 -0.59 121.20 126.78 2hth s ILE 82 Ca 0.45 1.13 -0.07 0.00 0.00 0.00 0.00 60.65 62.16 2hth s ILE 82 Cb -0.20 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2hth s ILE 82 CO 0.25 0.19 0.05 -0.69 0.00 0.00 0.00 174.94 174.74 2hth s VAL 83 N 1.41 4.41 -0.21 2.92 1.01 0.06 0.48 120.40 130.47 2hth s VAL 83 Ca 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2hth s VAL 83 Cb -0.16 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2hth s VAL 83 CO 0.11 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 2hth s VAL 84 N 0.97 3.27 -0.21 2.92 1.01 0.24 -2.18 120.40 126.41 2hth s VAL 84 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2hth s VAL 84 Cb -0.14 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 2hth s VAL 84 CO 0.03 0.44 0.38 -1.00 0.00 0.00 0.00 175.10 174.94 2hth s HIS 85 N 1.42 3.35 -0.08 5.22 3.76 -0.31 -1.05 115.29 127.60 2hth s HIS 85 Ca 0.05 0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 55.47 2hth s HIS 85 Cb -0.14 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 2hth s HIS 85 CO -0.04 -0.04 0.13 -0.51 -0.85 0.00 0.00 174.74 173.44 2hth s LEU 86 N 1.40 4.25 0.58 0.89 1.43 -0.60 -0.43 118.68 126.20 2hth s LEU 86 Ca 0.17 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.45 2hth s LEU 86 Cb -0.15 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 2hth s LEU 86 CO 0.08 0.36 1.27 1.41 0.23 0.00 0.00 176.35 179.70 2hth n HIS 87 N 1.68 1.94 -2.03 0.29 8.25 -0.38 -4.82 115.22 120.15 2hth n HIS 87 Ca -0.17 0.43 -0.29 0.00 -0.26 0.00 0.00 57.72 57.43 2hth n HIS 87 Cb 0.54 -2.30 0.03 0.00 1.12 0.00 0.00 29.99 29.39 2hth n HIS 87 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hth s PRO 88 N -3.00 3.08 0.00 -0.41 0.04 -1.26 -5.02 135.00 128.43 2hth s PRO 88 Ca 0.76 0.41 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2hth s PRO 88 Cb -0.41 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2hth s PRO 88 CO 0.46 -0.81 0.00 0.00 0.04 0.00 0.00 177.00 176.69 2hth n ALA 89 N -2.82 0.00 -2.27 8.56 0.00 -1.26 -5.13 120.51 117.59 2hth n ALA 89 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 2hth n ALA 89 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 2hth n ALA 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2hth s PRO 90 N 0.00 1.50 1.40 0.00 0.04 -1.26 -5.01 135.00 131.67 2hth s PRO 90 Ca 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 61.00 59.20 2hth s PRO 90 Cb 0.00 0.16 0.00 0.00 0.04 0.00 0.00 34.50 34.70 2hth s PRO 90 CO 0.00 -0.49 0.00 -2.30 0.04 0.00 0.00 177.00 174.25 2hth n PRO 91 N -0.48 0.00 -3.59 0.56 -0.02 -1.26 -4.98 135.00 125.23 2hth n PRO 91 Ca 0.03 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.20 2hth n PRO 91 Cb 0.64 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.04 2hth n PRO 91 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2hth n ASN 92 N -3.60 3.90 -1.07 2.55 2.85 -1.26 -4.98 115.26 113.65 2hth n ASN 92 Ca 0.00 -3.29 0.00 0.00 -0.11 0.00 0.00 54.58 51.18 2hth n ASN 92 Cb 0.00 -0.85 0.00 0.00 1.24 0.00 0.00 39.78 40.17 2hth n ASN 92 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2hth n LYS 93 N 1.61 -3.02 0.00 1.20 4.81 -1.26 -4.97 118.16 116.53 2hth n LYS 93 Ca 0.24 2.19 0.00 0.00 -0.87 0.00 0.00 58.31 59.88 2hth n LYS 93 Cb 0.37 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.99 2hth n LYS 93 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2hth n GLU 94 N -0.12 0.00 0.00 1.64 -0.58 -1.26 -5.04 120.64 115.28 2hth n GLU 94 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2hth n GLU 94 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2hth n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2hth n PRO 95 N 0.00 0.00 -0.08 3.49 -0.02 -1.26 -5.02 135.00 132.11 2hth n PRO 95 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 2hth n PRO 95 Cb 0.00 -1.18 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 2hth n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hth n GLY 96 N -0.69 -0.41 0.00 -1.23 0.00 -1.26 -5.07 105.19 96.54 2hth n GLY 96 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2hth n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hth n PRO 97 N -4.17 0.00 -4.69 1.61 -0.04 -1.26 -5.02 135.00 121.43 2hth n PRO 97 Ca -0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.90 2hth n PRO 97 Cb 0.56 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.87 2hth n PRO 97 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2hth s PHE 98 N 0.49 2.77 -0.88 0.54 0.08 -1.26 -5.02 117.98 114.70 2hth s PHE 98 Ca 0.00 -0.90 0.26 0.00 0.12 0.00 0.00 56.93 56.41 2hth s PHE 98 Cb 0.00 -1.86 0.63 0.00 -0.57 0.00 0.00 43.02 41.22 2hth s PHE 98 CO 0.00 -0.38 1.52 1.04 -0.10 0.00 0.00 175.22 177.30 2hth n GLN 99 N 3.82 0.10 0.20 0.44 6.02 -1.26 -3.90 117.38 122.80 2hth n GLN 99 Ca -0.19 0.04 0.05 0.00 -0.01 0.00 0.00 57.00 56.89 2hth n GLN 99 Cb 0.52 -1.57 0.40 0.00 1.02 0.00 0.00 30.24 30.60 2hth n GLN 99 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2hth h SER 100 N 0.00 0.00 -1.40 1.08 0.87 -2.02 -3.13 113.55 108.95 2hth h SER 100 Ca 0.00 0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.85 2hth h SER 100 Cb 0.59 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.26 2hth h SER 100 CO 0.00 0.35 0.92 -1.20 -0.53 0.00 0.00 176.83 176.38 2hth n SER 101 N -3.78 7.59 0.00 6.23 7.64 -1.25 -4.36 113.62 125.69 2hth n SER 101 Ca -0.01 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.06 2hth n SER 101 Cb 0.44 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2hth n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2hth n LYS 102 N -0.76 1.76 -1.79 1.43 5.02 -1.18 -5.09 118.16 117.55 2hth n LYS 102 Ca 0.59 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 2hth n LYS 102 Cb 0.49 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 2hth n LYS 102 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2hth n ASN 103 N -0.37 -9.41 -1.72 4.39 0.23 -1.26 -4.96 115.26 102.17 2hth n ASN 103 Ca 0.00 1.37 -0.02 0.00 -0.53 0.00 0.00 54.58 55.40 2hth n ASN 103 Cb 0.00 -5.35 0.01 0.00 -2.08 0.00 0.00 39.78 32.37 2hth n ASN 103 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2hth n SER 104 N -0.55 -0.05 -4.03 0.53 2.88 -1.26 -4.84 113.62 106.31 2hth n SER 104 Ca 0.00 -2.04 -0.09 0.00 -1.33 0.00 0.00 58.87 55.41 2hth n SER 104 Cb 0.00 0.05 -0.08 0.00 -0.75 0.00 0.00 64.21 63.43 2hth n SER 104 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2hth s TYR 105 N -0.55 0.55 0.23 0.66 1.13 -1.26 -1.56 117.35 116.55 2hth s TYR 105 Ca 0.17 -0.94 0.08 0.00 -1.41 0.00 0.00 57.07 54.96 2hth s TYR 105 Cb 0.25 -0.24 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2hth s TYR 105 CO -0.08 -0.60 -0.12 0.96 -2.51 0.00 0.00 175.55 173.19 2hth s ILE 106 N -3.98 1.74 -0.11 -3.49 -4.36 -0.22 -2.70 121.20 108.09 2hth s ILE 106 Ca 0.18 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.39 2hth s ILE 106 Cb 0.05 -2.18 0.01 0.00 1.25 0.00 0.00 42.46 41.59 2hth s ILE 106 CO -0.01 -0.49 -0.17 -0.54 0.24 0.00 0.00 174.94 173.97 2hth s LYS 107 N -3.66 2.34 -0.32 0.37 1.02 -0.75 -0.59 119.74 118.14 2hth s LYS 107 Ca 0.25 -0.61 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 2hth s LYS 107 Cb 0.00 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 2hth s LYS 107 CO 0.09 -0.02 0.36 -0.51 -0.92 0.00 0.00 175.35 174.35 2hth s LEU 108 N 0.85 4.30 -0.12 3.17 1.43 0.18 -1.39 118.68 127.10 2hth s LEU 108 Ca -0.09 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2hth s LEU 108 Cb -0.15 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2hth s LEU 108 CO 0.00 -0.28 0.03 -0.94 0.23 0.00 0.00 176.35 175.39 2hth s SER 109 N 1.71 5.44 -0.49 2.29 1.04 -0.01 -1.30 113.70 122.38 2hth s SER 109 Ca 0.13 0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 2hth s SER 109 Cb -0.16 -1.69 0.13 0.00 0.10 0.00 0.00 66.02 64.39 2hth s SER 109 CO 0.11 0.32 0.35 -0.36 0.98 0.00 0.00 173.24 174.64 2hth s PHE 110 N -0.54 3.47 -0.09 5.02 0.08 -1.26 -1.10 117.98 123.56 2hth s PHE 110 Ca 0.10 -2.05 0.14 0.00 0.12 0.00 0.00 56.93 55.23 2hth s PHE 110 Cb -0.12 -3.44 0.05 0.00 -0.57 0.00 0.00 43.02 38.94 2hth s PHE 110 CO 0.02 -0.98 1.43 0.87 -0.10 0.00 0.00 175.22 176.47 2hth h LYS 111 N 8.22 0.00 -0.45 0.44 1.79 -1.54 -3.23 116.57 121.81 2hth h LYS 111 Ca -0.16 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.14 2hth h LYS 111 Cb 1.06 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.60 2hth h LYS 111 CO 0.82 0.58 0.08 0.39 -1.08 0.00 0.00 179.45 180.23 2hth n GLU 112 N -3.26 2.46 0.00 3.15 1.02 -1.22 -5.06 120.64 117.72 2hth n GLU 112 Ca 0.02 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 2hth n GLU 112 Cb 0.76 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2hth n GLU 112 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2hth n HIS 113 N -0.82 -0.78 -1.08 -0.32 8.25 -1.22 -4.98 115.22 114.27 2hth n HIS 113 Ca 0.34 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.77 2hth n HIS 113 Cb 1.11 0.14 -0.01 0.00 1.12 0.00 0.00 29.99 32.35 2hth n HIS 113 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hth n GLY 114 N 0.00 0.60 0.09 -1.41 0.00 -1.26 -4.90 105.19 98.31 2hth n GLY 114 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 2hth n GLY 114 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2hth h GLN 115 N 0.10 0.14 -0.15 1.61 -0.00 -1.93 -2.35 115.11 112.53 2hth h GLN 115 Ca -0.06 -0.10 0.05 0.00 -0.00 0.00 0.00 58.65 58.55 2hth h GLN 115 Cb 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.63 2hth h GLN 115 CO 0.08 0.69 -0.25 0.82 0.00 0.00 0.00 178.83 180.17 2hth h ILE 116 N -0.39 0.39 -0.76 2.39 2.04 -1.95 0.32 117.51 119.56 2hth h ILE 116 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2hth h ILE 116 Cb 0.70 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2hth h ILE 116 CO 0.02 0.00 0.46 -0.08 0.00 0.00 0.00 178.15 178.55 2hth h GLU 117 N -0.31 0.84 -0.18 2.37 4.81 -1.99 -0.76 114.58 119.36 2hth h GLU 117 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2hth h GLU 117 Cb 0.47 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2hth h GLU 117 CO -0.33 0.56 0.09 0.35 -0.73 0.00 0.00 179.01 178.95 2hth h PHE 118 N 0.87 0.26 -0.73 0.92 3.57 -0.81 -2.14 116.94 118.88 2hth h PHE 118 Ca 0.32 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.89 2hth h PHE 118 Cb 0.11 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 2hth h PHE 118 CO -0.05 0.28 0.39 -0.92 -2.23 0.00 0.00 178.31 175.78 2hth h TYR 119 N 0.17 0.71 -0.82 0.41 3.20 0.16 0.94 116.97 121.73 2hth h TYR 119 Ca 0.06 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2hth h TYR 119 Cb 0.12 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2hth h TYR 119 CO -0.03 0.29 0.37 -0.09 -1.64 0.00 0.00 178.16 177.07 2hth h ARG 120 N 0.68 1.20 -0.17 1.82 2.43 -0.99 -1.45 114.38 117.90 2hth h ARG 120 Ca 0.34 -0.19 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 2hth h ARG 120 Cb 0.30 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2hth h ARG 120 CO -0.23 0.94 -0.61 0.00 -1.51 0.00 0.00 179.97 178.56 2hth h ARG 121 N 1.18 0.71 -0.59 0.20 2.47 -0.56 -1.93 114.38 115.87 2hth h ARG 121 Ca 0.28 -0.54 0.02 0.00 -1.26 0.00 0.00 59.98 58.47 2hth h ARG 121 Cb 0.16 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2hth h ARG 121 CO -0.03 1.16 0.38 1.25 0.56 0.00 0.00 179.97 183.28 2hth h LEU 122 N 0.42 0.63 0.08 3.04 5.85 -0.77 -1.25 115.31 123.30 2hth h LEU 122 Ca -0.03 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2hth h LEU 122 Cb 1.24 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2hth h LEU 122 CO 0.13 0.45 -0.35 0.28 -0.34 0.00 0.00 178.44 178.61 2hth h SER 123 N 0.75 -1.02 -0.36 1.25 0.02 -1.07 0.40 113.55 113.51 2hth h SER 123 Ca 0.23 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2hth h SER 123 Cb -0.04 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2hth h SER 123 CO -0.07 -0.42 0.19 -0.33 -1.14 0.00 0.00 176.83 175.06 2hth h GLU 124 N -0.55 0.38 -0.24 3.45 5.08 -1.10 -0.82 114.58 120.79 2hth h GLU 124 Ca 0.04 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2hth h GLU 124 Cb 0.60 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2hth h GLU 124 CO -0.23 0.25 -0.10 0.93 -1.00 0.00 0.00 179.01 178.86 2hth h GLU 125 N 0.39 -0.06 -0.94 2.33 4.39 -1.15 0.80 114.58 120.35 2hth h GLU 125 Ca 0.15 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.08 2hth h GLU 125 Cb 0.04 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.59 2hth h GLU 125 CO -0.09 -0.04 0.50 0.52 -1.16 0.00 0.00 179.01 178.74 2hth h MET 126 N -0.06 0.51 -0.06 2.33 2.86 -0.43 -1.68 114.93 118.40 2hth h MET 126 Ca 0.12 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2hth h MET 126 Cb 0.25 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.80 2hth h MET 126 CO -0.28 0.34 -0.41 1.15 1.06 0.00 0.00 176.91 178.77 2hth h THR 127 N 0.53 1.42 0.00 2.22 2.02 -0.62 -3.34 112.91 115.14 2hth h THR 127 Ca 0.59 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2hth h THR 127 Cb 1.08 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2hth h THR 127 CO -0.48 0.53 -0.05 1.56 0.37 0.00 0.00 175.52 177.45 2hth h GLN 128 N -0.11 0.00 -6.54 6.66 4.20 -0.76 -3.48 115.11 115.08 2hth h GLN 128 Ca -0.03 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.27 2hth h GLN 128 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 2hth h GLN 128 CO 0.08 0.05 -0.86 0.54 -0.67 0.00 0.00 178.83 177.97 2hth n ARG 129 N -3.11 -1.03 -0.03 1.46 1.74 -0.64 -4.82 116.66 110.22 2hth n ARG 129 Ca 0.04 0.44 0.03 0.00 -0.77 0.00 0.00 57.85 57.58 2hth n ARG 129 Cb 0.53 -1.72 0.12 0.00 -1.02 0.00 0.00 32.46 30.37 2hth n ARG 129 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hth n ARG 130 N -2.61 1.16 0.00 5.56 1.74 -1.26 -5.14 116.66 116.11 2hth n ARG 130 Ca -0.22 -0.25 0.12 0.00 -0.77 0.00 0.00 57.85 56.73 2hth n ARG 130 Cb 0.52 -1.10 0.20 0.00 -1.02 0.00 0.00 32.46 31.06 2hth n ARG 130 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44