#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1v n THR 2 N 0.00 0.00 -4.06 0.00 -2.24 -1.26 -4.73 114.28 101.99 1p1v n THR 2 Ca 0.00 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1p1v n THR 2 Cb 0.00 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.02 1p1v n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1p1v s LYS 3 N -2.09 0.42 0.16 -0.78 1.02 -1.26 -0.31 119.74 116.89 1p1v s LYS 3 Ca 0.03 -0.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 1p1v s LYS 3 Cb 0.08 -0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.12 1p1v s LYS 3 CO 0.44 0.05 0.15 0.00 -0.92 0.00 0.00 175.35 175.07 1p1v s ALA 4 N -0.90 0.60 0.03 5.17 0.00 -0.48 -1.42 121.76 124.75 1p1v s ALA 4 Ca -0.07 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.43 1p1v s ALA 4 Cb -0.07 0.95 0.03 0.00 0.00 0.00 0.00 23.12 24.03 1p1v s ALA 4 CO -0.00 -0.57 0.37 0.54 0.00 0.00 0.00 175.76 176.10 1p1v s VAL 5 N -4.04 0.06 -0.05 0.00 0.11 0.27 -0.84 120.40 115.91 1p1v s VAL 5 Ca 0.24 -0.53 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1p1v s VAL 5 Cb 0.06 -0.91 0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1p1v s VAL 5 CO 0.03 -0.29 0.12 0.00 -3.33 0.00 0.00 175.10 171.63 1p1v s VAL 7 N 0.97 5.27 -0.15 0.00 1.01 -1.26 -1.22 120.40 125.02 1p1v s VAL 7 Ca -0.08 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1p1v s VAL 7 Cb -0.10 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1p1v s VAL 7 CO -0.04 -0.04 0.53 -0.76 0.00 0.00 0.00 175.10 174.78 1p1v s LEU 8 N 1.75 4.22 0.06 3.92 1.02 0.35 -3.94 118.68 126.05 1p1v s LEU 8 Ca 0.07 0.80 -0.00 0.00 0.02 0.00 0.00 54.13 55.01 1p1v s LEU 8 Cb -0.17 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 1p1v s LEU 8 CO 0.11 -0.11 -0.04 -0.54 0.02 0.00 0.00 176.35 175.79 1p1v s LYS 9 N 1.16 0.65 0.00 1.70 1.02 -0.58 -1.97 119.74 121.73 1p1v s LYS 9 Ca 0.27 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1p1v s LYS 9 Cb -0.16 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 1p1v s LYS 9 CO 0.11 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 1p1v n GLY 10 N 0.08 3.79 0.28 -3.33 0.00 -1.25 -1.06 105.19 103.70 1p1v n GLY 10 Ca -0.14 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.24 1p1v n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1p1v n ASP 11 N 0.00 1.25 0.00 1.61 8.00 -1.26 -4.94 116.55 121.21 1p1v n ASP 11 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1p1v n ASP 11 Cb 0.00 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1p1v n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p1v n GLY 12 N 1.39 6.14 0.20 0.44 0.00 -1.26 -5.03 105.19 107.06 1p1v n GLY 12 Ca 0.10 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.31 1p1v n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p1v n PRO 13 N 0.00 1.27 -3.06 1.61 -0.04 -1.26 -4.87 135.00 128.65 1p1v n PRO 13 Ca 0.00 -0.39 -0.40 0.00 -0.04 0.00 0.00 63.50 62.66 1p1v n PRO 13 Cb 0.00 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 1p1v n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1p1v s VAL 14 N -1.99 5.01 0.08 0.52 1.01 -1.26 -4.18 120.40 119.59 1p1v s VAL 14 Ca 0.42 1.34 -0.26 0.00 0.00 0.00 0.00 61.98 63.48 1p1v s VAL 14 Cb 0.21 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1p1v s VAL 14 CO 0.34 0.14 0.64 0.00 0.00 0.00 0.00 175.10 176.22 1p1v s GLN 15 N 1.60 1.19 0.00 2.72 1.03 -0.90 -3.81 119.66 121.48 1p1v s GLN 15 Ca 0.33 -0.22 0.00 0.00 0.04 0.00 0.00 55.36 55.51 1p1v s GLN 15 Cb -0.16 0.55 0.00 0.00 0.03 0.00 0.00 33.01 33.43 1p1v s GLN 15 CO 0.13 -0.48 0.00 0.41 -2.54 0.00 0.00 175.29 172.81 1p1v n GLY 16 N 0.05 -1.22 3.07 2.60 0.00 -0.83 -0.43 105.19 108.42 1p1v n GLY 16 Ca -0.17 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 1p1v n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p1v s ILE 17 N -2.84 1.22 -0.08 -0.61 1.01 -0.96 -0.50 121.20 118.45 1p1v s ILE 17 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1p1v s ILE 17 Cb 0.00 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1p1v s ILE 17 CO 0.00 0.37 -0.21 -0.63 0.00 0.00 0.00 174.94 174.46 1p1v s ILE 18 N 0.35 1.83 0.05 2.92 -1.09 -0.35 -2.02 121.20 122.88 1p1v s ILE 18 Ca -0.09 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.45 1p1v s ILE 18 Cb -0.13 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1p1v s ILE 18 CO 0.03 0.51 0.10 0.20 -1.23 0.00 0.00 174.94 174.55 1p1v s ASN 19 N 0.33 5.73 0.02 3.58 0.01 0.63 -0.44 114.94 124.80 1p1v s ASN 19 Ca -0.15 0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.13 1p1v s ASN 19 Cb -0.17 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.86 1p1v s ASN 19 CO 0.07 0.20 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.35 1p1v s PHE 20 N -1.36 1.33 -0.08 2.20 0.40 -0.02 -1.05 117.98 119.40 1p1v s PHE 20 Ca 0.29 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.27 1p1v s PHE 20 Cb -0.12 -0.82 0.04 0.00 0.51 0.00 0.00 43.02 42.62 1p1v s PHE 20 CO 0.21 0.02 0.18 -2.00 0.70 0.00 0.00 175.22 174.33 1p1v s GLU 21 N -0.77 0.15 -0.26 0.44 2.12 -0.34 -1.38 118.70 118.66 1p1v s GLU 21 Ca 0.04 0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.73 1p1v s GLU 21 Cb -0.07 -0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.31 1p1v s GLU 21 CO 0.00 -0.13 0.08 -1.14 -0.54 0.00 0.00 175.26 173.54 1p1v s GLN 22 N 0.93 0.55 0.23 4.30 0.74 0.58 0.12 119.66 127.10 1p1v s GLN 22 Ca -0.07 -0.67 -0.07 0.00 0.05 0.00 0.00 55.36 54.60 1p1v s GLN 22 Cb -0.09 -1.85 0.19 0.00 1.10 0.00 0.00 33.01 32.37 1p1v s GLN 22 CO -0.05 -0.85 1.84 -0.22 -0.55 0.00 0.00 175.29 175.46 1p1v h LYS 23 N 8.23 1.23 -4.78 1.67 3.64 -1.81 -3.42 116.57 121.33 1p1v h LYS 23 Ca -0.16 -0.16 -0.56 0.00 -1.27 0.00 0.00 60.65 58.50 1p1v h LYS 23 Cb 1.06 -0.23 -0.33 0.00 -0.41 0.00 0.00 32.23 32.31 1p1v h LYS 23 CO 0.41 0.92 -0.83 -1.21 -2.27 0.00 0.00 179.45 176.46 1p1v s GLU 24 N -5.78 2.03 0.52 1.90 0.41 -1.26 -5.03 118.70 111.48 1p1v s GLU 24 Ca -0.13 -0.54 0.20 0.00 -0.41 0.00 0.00 54.97 54.10 1p1v s GLU 24 Cb 0.16 -1.63 1.34 0.00 -1.78 0.00 0.00 34.13 32.22 1p1v s GLU 24 CO 0.83 0.08 2.12 0.66 -0.49 0.00 0.00 175.26 178.46 1p1v h SER 25 N 6.86 0.00 -0.60 -0.19 4.64 -1.96 -0.33 113.55 121.98 1p1v h SER 25 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1p1v h SER 25 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1p1v h SER 25 CO 0.47 0.07 0.00 0.59 -0.87 0.00 0.00 176.83 177.09 1p1v n ASN 26 N -4.21 5.41 -4.02 4.97 3.02 -1.26 -4.91 115.26 114.25 1p1v n ASN 26 Ca -0.03 -2.78 -0.22 0.00 -0.03 0.00 0.00 54.58 51.52 1p1v n ASN 26 Cb 0.15 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1p1v n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p1v n GLY 27 N 0.76 3.31 3.75 7.41 0.00 -0.13 -5.13 105.19 115.16 1p1v n GLY 27 Ca 0.27 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1p1v n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1p1v s PRO 28 N -3.49 1.89 -0.17 1.61 0.04 -1.26 -4.88 135.00 128.75 1p1v s PRO 28 Ca 0.11 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 1p1v s PRO 28 Cb -0.01 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1p1v s PRO 28 CO 0.07 -1.87 -0.05 0.08 0.04 0.00 0.00 177.00 175.27 1p1v s VAL 29 N -2.90 3.68 0.08 -0.36 1.01 0.21 -4.35 120.40 117.76 1p1v s VAL 29 Ca 0.62 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 1p1v s VAL 29 Cb -0.18 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1p1v s VAL 29 CO 0.56 0.48 0.82 -0.54 0.00 0.00 0.00 175.10 176.42 1p1v s LYS 30 N 0.62 4.56 -0.14 2.72 1.02 0.12 -0.86 119.74 127.78 1p1v s LYS 30 Ca -0.03 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.15 1p1v s LYS 30 Cb -0.15 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1p1v s LYS 30 CO 0.03 0.29 -0.14 0.08 -0.92 0.00 0.00 175.35 174.69 1p1v s VAL 31 N -0.14 1.53 0.04 3.17 1.01 0.04 -1.19 120.40 124.86 1p1v s VAL 31 Ca 0.41 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1p1v s VAL 31 Cb -0.22 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.76 1p1v s VAL 31 CO 0.25 0.45 0.36 -1.66 0.00 0.00 0.00 175.10 174.51 1p1v s TRP 32 N 1.46 -0.20 -5.00 5.22 -2.14 -0.22 -0.69 118.94 117.37 1p1v s TRP 32 Ca 0.04 0.12 0.00 0.00 2.66 0.00 0.00 56.10 58.92 1p1v s TRP 32 Cb -0.13 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 1p1v s TRP 32 CO -0.10 -0.54 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 1p1v n GLY 33 N 0.56 -0.25 3.50 3.67 0.00 -0.27 -0.27 105.19 112.14 1p1v n GLY 33 Ca -0.19 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1p1v n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p1v s SER 34 N -4.00 -0.62 -0.08 1.61 0.15 -0.86 -0.67 113.70 109.23 1p1v s SER 34 Ca 0.00 1.18 0.04 0.00 0.70 0.00 0.00 55.95 57.86 1p1v s SER 34 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1p1v s SER 34 CO 0.00 -0.23 -0.21 -0.63 1.20 0.00 0.00 173.24 173.37 1p1v s ILE 35 N 0.23 1.82 0.47 6.45 1.01 -0.38 -2.26 121.20 128.54 1p1v s ILE 35 Ca -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1p1v s ILE 35 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1p1v s ILE 35 CO 0.01 0.51 0.02 -1.59 0.00 0.00 0.00 174.94 173.89 1p1v s LYS 36 N 0.33 2.11 0.00 2.79 -2.85 0.42 -0.29 119.74 122.25 1p1v s LYS 36 Ca -0.15 -2.26 0.00 0.00 -1.00 0.00 0.00 55.97 52.55 1p1v s LYS 36 Cb -0.17 -1.60 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 1p1v s LYS 36 CO 0.07 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.68 1p1v n GLY 37 N -1.17 0.73 3.91 0.59 0.00 -0.90 -2.13 105.19 106.22 1p1v n GLY 37 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1p1v n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1v s LEU 38 N 0.00 3.83 0.55 0.99 1.43 -0.61 -4.38 118.68 120.50 1p1v s LEU 38 Ca 0.00 0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 53.72 1p1v s LEU 38 Cb 0.00 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1p1v s LEU 38 CO 0.00 -0.41 1.13 0.42 0.23 0.00 0.00 176.35 177.72 1p1v s THR 39 N -2.46 3.18 0.32 5.49 -4.23 -1.26 -4.05 115.64 112.63 1p1v s THR 39 Ca 0.46 0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 61.39 1p1v s THR 39 Cb -0.10 -3.27 -0.11 0.00 1.34 0.00 0.00 72.50 70.35 1p1v s THR 39 CO 0.38 -0.18 1.56 -0.70 -0.54 0.00 0.00 174.62 175.14 1p1v s GLU 40 N -3.37 4.11 0.00 3.99 2.12 -1.26 -4.55 118.70 119.74 1p1v s GLU 40 Ca 0.72 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.64 1p1v s GLU 40 Cb -0.23 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1p1v s GLU 40 CO 0.28 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 1p1v n GLY 41 N 1.54 0.19 3.80 -1.50 0.00 -0.34 -4.93 105.19 103.95 1p1v n GLY 41 Ca 0.06 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 1p1v n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1v s LEU 42 N 0.00 4.44 -0.03 0.99 1.43 -1.26 -0.65 118.68 123.59 1p1v s LEU 42 Ca 0.00 1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1p1v s LEU 42 Cb 0.00 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.78 1p1v s LEU 42 CO 0.00 0.10 0.02 -1.00 0.23 0.00 0.00 176.35 175.71 1p1v s HIS 43 N -1.37 0.21 0.53 0.29 3.76 -0.04 -3.14 115.29 115.52 1p1v s HIS 43 Ca 0.40 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 55.18 1p1v s HIS 43 Cb -0.19 -0.42 -0.06 0.00 1.11 0.00 0.00 32.58 33.02 1p1v s HIS 43 CO 0.23 -0.16 1.28 0.41 -0.85 0.00 0.00 174.74 175.65 1p1v n GLY 44 N 4.58 0.54 2.64 -2.22 0.00 0.08 -0.91 105.19 109.90 1p1v n GLY 44 Ca -0.18 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1p1v n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1p1v s PHE 45 N -1.31 0.47 0.05 1.61 5.36 0.24 -0.64 117.98 123.76 1p1v s PHE 45 Ca 0.70 -0.57 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1p1v s PHE 45 Cb -0.44 -0.84 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 1p1v s PHE 45 CO 0.50 -0.59 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.58 1p1v s HIS 46 N 2.05 0.72 -0.27 10.12 3.76 -0.55 -2.26 115.29 128.86 1p1v s HIS 46 Ca 0.03 -0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 54.27 1p1v s HIS 46 Cb -0.16 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1p1v s HIS 46 CO -0.13 -0.08 0.35 0.08 -0.85 0.00 0.00 174.74 174.11 1p1v s VAL 47 N -1.48 5.19 0.26 -0.90 1.01 -0.08 -0.56 120.40 123.84 1p1v s VAL 47 Ca -0.08 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1p1v s VAL 47 Cb -0.09 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1p1v s VAL 47 CO 0.00 0.16 0.51 -1.00 0.00 0.00 0.00 175.10 174.77 1p1v s HIS 48 N 2.03 3.48 0.14 5.22 3.76 0.71 -0.82 115.29 129.81 1p1v s HIS 48 Ca 0.14 0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 55.46 1p1v s HIS 48 Cb -0.16 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 1p1v s HIS 48 CO 0.10 0.23 1.71 1.49 -0.85 0.00 0.00 174.74 177.43 1p1v h GLU 49 N 1.81 0.55 -5.86 1.40 4.81 -0.59 -2.66 114.58 114.05 1p1v h GLU 49 Ca -0.48 -0.08 -0.67 0.00 -0.13 0.00 0.00 59.36 58.00 1p1v h GLU 49 Cb 1.19 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 1p1v h GLU 49 CO 0.67 0.49 -0.56 -0.06 -0.73 0.00 0.00 179.01 178.82 1p1v s PHE 50 N -5.71 3.34 -0.48 0.92 0.08 -0.25 -4.64 117.98 111.24 1p1v s PHE 50 Ca -0.13 0.32 -0.03 0.00 0.12 0.00 0.00 56.93 57.20 1p1v s PHE 50 Cb 0.10 -1.83 0.11 0.00 -0.57 0.00 0.00 43.02 40.82 1p1v s PHE 50 CO 0.74 0.58 2.63 0.41 -0.10 0.00 0.00 175.22 179.49 1p1v n GLY 51 N 1.89 4.45 3.21 4.36 0.00 -1.02 -3.52 105.19 114.57 1p1v n GLY 51 Ca -0.18 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 1p1v n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p1v s ASP 52 N 0.18 5.28 -0.27 1.61 -1.08 -1.26 -4.94 116.67 116.19 1p1v s ASP 52 Ca 0.56 -1.47 0.11 0.00 -0.52 0.00 0.00 52.55 51.23 1p1v s ASP 52 Cb 0.38 -1.85 0.52 0.00 -1.46 0.00 0.00 42.92 40.51 1p1v s ASP 52 CO -0.22 -0.41 1.47 0.59 0.52 0.00 0.00 175.17 177.13 1p1v n ASN 53 N 4.74 2.88 0.26 -0.34 5.03 -1.26 -2.89 115.26 123.68 1p1v n ASN 53 Ca -0.10 -3.57 0.12 0.00 0.87 0.00 0.00 54.58 51.90 1p1v n ASN 53 Cb 0.43 -0.62 0.70 0.00 -1.02 0.00 0.00 39.78 39.27 1p1v n ASN 53 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1p1v h THR 54 N 1.18 0.65 -1.35 3.41 1.35 -1.93 -2.11 112.91 114.10 1p1v h THR 54 Ca 0.19 -0.52 -0.59 0.00 -0.55 0.00 0.00 66.41 64.94 1p1v h THR 54 Cb 1.66 1.33 -0.42 0.00 -1.73 0.00 0.00 68.15 68.99 1p1v h THR 54 CO 0.38 0.12 -0.67 0.00 -0.25 0.00 0.00 175.52 175.10 1p1v n ALA 55 N -2.32 5.12 -1.00 6.62 0.00 -1.26 -5.06 120.51 122.62 1p1v n ALA 55 Ca -0.02 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.23 1p1v n ALA 55 Cb 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1p1v n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 56 N -0.54 2.64 0.10 0.00 0.00 -0.80 -2.09 105.19 104.51 1p1v n GLY 56 Ca 0.41 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1p1v n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p1v h THR 58 N 0.00 1.26 0.00 0.00 2.02 -1.75 -2.79 112.91 111.66 1p1v h THR 58 Ca 0.00 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1p1v h THR 58 Cb 0.67 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1p1v h THR 58 CO 0.00 0.43 0.00 -1.54 0.37 0.00 0.00 175.52 174.78 1p1v n SER 59 N -4.16 0.00 0.10 4.18 3.41 -1.22 -2.29 113.62 113.64 1p1v n SER 59 Ca 0.02 -0.73 0.11 0.00 -0.26 0.00 0.00 58.87 58.01 1p1v n SER 59 Cb 0.37 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.77 1p1v n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p1v n ALA 60 N -0.92 1.66 -0.28 7.33 0.00 -1.05 -4.39 120.51 122.86 1p1v n ALA 60 Ca 0.13 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1p1v n ALA 60 Cb 0.06 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1p1v n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 61 N -0.01 -0.79 3.32 0.00 0.00 -0.97 -1.10 105.19 105.65 1p1v n GLY 61 Ca 0.02 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1p1v n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p1v n PRO 62 N 0.00 -0.78 -1.75 1.61 -0.04 -1.26 -4.64 135.00 128.15 1p1v n PRO 62 Ca 0.00 -1.94 -0.40 0.00 -0.04 0.00 0.00 63.50 61.12 1p1v n PRO 62 Cb 0.00 -0.99 0.02 0.00 -0.04 0.00 0.00 33.50 32.49 1p1v n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1p1v n HIS 63 N -3.30 2.53 -2.08 0.54 8.25 -1.26 -0.44 115.22 119.45 1p1v n HIS 63 Ca 0.14 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 1p1v n HIS 63 Cb 0.50 -2.43 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 1p1v n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1p1v s PHE 64 N -1.20 2.28 -0.40 4.41 5.36 -0.00 -4.45 117.98 123.98 1p1v s PHE 64 Ca 0.62 0.41 0.10 0.00 -0.96 0.00 0.00 56.93 57.09 1p1v s PHE 64 Cb -0.46 -3.83 0.32 0.00 -0.34 0.00 0.00 43.02 38.71 1p1v s PHE 64 CO 0.57 -3.38 0.80 -1.71 -1.46 0.00 0.00 175.22 170.05 1p1v n ASN 65 N 6.55 -0.22 0.14 6.13 5.15 -1.26 -1.34 115.26 130.41 1p1v n ASN 65 Ca 0.16 -3.15 0.12 0.00 -0.60 0.00 0.00 54.58 51.11 1p1v n ASN 65 Cb 0.43 0.12 0.50 0.00 -0.53 0.00 0.00 39.78 40.30 1p1v n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1p1v h PRO 66 N 3.18 0.00 -0.51 1.20 0.13 -1.90 -2.73 132.00 131.37 1p1v h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1p1v h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1p1v h PRO 66 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 1p1v n LEU 67 N -2.30 3.57 -3.64 1.56 4.77 -1.26 -4.98 117.00 114.72 1p1v n LEU 67 Ca 0.02 -1.72 -0.21 0.00 -0.03 0.00 0.00 56.01 54.07 1p1v n LEU 67 Cb 0.25 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1p1v n LEU 67 CO 0.21 0.83 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.86 1p1v n SER 68 N 1.45 -1.80 -4.91 -1.43 7.64 -1.03 -5.00 113.62 108.54 1p1v n SER 68 Ca 0.20 -0.80 -0.22 0.00 1.01 0.00 0.00 58.87 59.07 1p1v n SER 68 Cb 0.59 -4.21 -0.01 0.00 -1.01 0.00 0.00 64.21 59.56 1p1v n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1p1v s ARG 69 N -5.81 2.46 0.47 1.43 1.81 -1.26 -5.13 118.95 112.92 1p1v s ARG 69 Ca 0.05 -1.64 -0.03 0.00 -1.72 0.00 0.00 55.73 52.40 1p1v s ARG 69 Cb -0.01 -2.37 -0.02 0.00 -0.45 0.00 0.00 34.95 32.10 1p1v s ARG 69 CO 0.80 -0.36 0.74 0.15 -0.68 0.00 0.00 175.30 175.95 1p1v s LYS 70 N -4.23 3.29 0.39 3.54 -0.14 -1.26 -4.73 119.74 116.60 1p1v s LYS 70 Ca 0.47 -0.09 -0.27 0.00 -1.36 0.00 0.00 55.97 54.72 1p1v s LYS 70 Cb -0.04 -2.45 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 1p1v s LYS 70 CO 0.28 -0.26 1.33 -1.58 -0.76 0.00 0.00 175.35 174.36 1p1v s HIS 71 N -2.68 2.83 0.00 3.18 5.65 -1.26 -2.91 115.29 120.10 1p1v s HIS 71 Ca 0.48 1.38 0.00 0.00 0.25 0.00 0.00 55.06 57.16 1p1v s HIS 71 Cb -0.10 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 1p1v s HIS 71 CO 0.42 -2.18 0.00 0.41 -0.65 0.00 0.00 174.74 172.74 1p1v n GLY 72 N 0.67 2.68 3.93 1.59 0.00 -1.24 -4.47 105.19 108.34 1p1v n GLY 72 Ca 0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 1p1v n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1v s GLY 73 N -0.64 1.58 0.55 -0.02 0.00 -1.21 -4.69 107.32 102.89 1p1v s GLY 73 Ca 0.00 -0.81 0.25 0.00 0.00 0.00 0.00 44.72 44.16 1p1v s GLY 73 CO 0.00 -0.58 2.18 -0.56 0.00 0.00 0.00 173.10 174.15 1p1v h PRO 74 N 0.07 0.00 -0.41 2.90 0.13 -1.85 -2.06 132.00 130.79 1p1v h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1p1v h PRO 74 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1p1v h PRO 74 CO 0.60 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.03 1p1v n LYS 75 N -4.01 2.48 -2.68 0.86 4.76 -1.26 -4.89 118.16 113.42 1p1v n LYS 75 Ca -0.03 -2.28 -0.35 0.00 -2.87 0.00 0.00 58.31 52.78 1p1v n LYS 75 Cb 0.12 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 1p1v n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1p1v s ASP 76 N -1.40 6.89 0.15 4.39 1.01 -0.78 -4.99 116.67 121.95 1p1v s ASP 76 Ca 0.38 1.88 -0.05 0.00 0.71 0.00 0.00 52.55 55.48 1p1v s ASP 76 Cb 0.22 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1p1v s ASP 76 CO 0.30 -0.39 1.37 -0.08 0.21 0.00 0.00 175.17 176.59 1p1v h GLU 77 N 2.39 0.50 -5.47 8.23 4.22 -1.90 -3.39 114.58 119.16 1p1v h GLU 77 Ca -0.48 -0.43 -0.63 0.00 0.08 0.00 0.00 59.36 57.89 1p1v h GLU 77 Cb 1.20 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1p1v h GLU 77 CO 0.62 1.07 0.48 -2.00 -2.18 0.00 0.00 179.01 177.00 1p1v s GLU 78 N -3.57 3.16 0.14 1.92 2.56 -1.26 -4.96 118.70 116.70 1p1v s GLU 78 Ca -0.07 -0.72 -0.20 0.00 0.00 0.00 0.00 54.97 53.98 1p1v s GLU 78 Cb 0.10 -4.18 0.05 0.00 2.00 0.00 0.00 34.13 32.10 1p1v s GLU 78 CO 0.86 -1.67 0.51 -0.98 -0.56 0.00 0.00 175.26 173.42 1p1v s ARG 79 N 3.85 1.19 0.57 4.30 1.70 -1.14 -3.73 118.95 125.68 1p1v s ARG 79 Ca 0.23 -0.59 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 1p1v s ARG 79 Cb -0.16 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 1p1v s ARG 79 CO 0.12 -0.50 1.03 -1.01 -1.08 0.00 0.00 175.30 173.87 1p1v s HIS 80 N -3.78 3.20 0.27 5.89 3.76 -1.16 -4.64 115.29 118.83 1p1v s HIS 80 Ca 0.02 1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 56.40 1p1v s HIS 80 Cb 0.00 -2.91 0.46 0.00 1.11 0.00 0.00 32.58 31.24 1p1v s HIS 80 CO -0.12 -0.81 1.85 0.28 -0.85 0.00 0.00 174.74 175.09 1p1v h VAL 81 N 0.53 1.00 0.00 -0.90 2.07 -1.84 -2.00 116.25 115.11 1p1v h VAL 81 Ca -0.47 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1p1v h VAL 81 Cb 1.20 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1p1v h VAL 81 CO 0.59 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1p1v n GLY 82 N -1.35 -1.00 3.49 2.17 0.00 -0.45 -4.34 105.19 103.71 1p1v n GLY 82 Ca 0.16 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1p1v n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p1v s ASP 83 N -1.09 6.83 -0.10 1.61 1.01 -0.75 -0.90 116.67 123.27 1p1v s ASP 83 Ca 0.04 -2.42 0.14 0.00 0.71 0.00 0.00 52.55 51.02 1p1v s ASP 83 Cb 0.02 -2.45 0.59 0.00 1.01 0.00 0.00 42.92 42.10 1p1v s ASP 83 CO 0.03 -1.00 1.46 0.18 0.21 0.00 0.00 175.17 176.06 1p1v n LEU 84 N 6.71 4.03 0.00 1.23 4.77 -0.96 -3.13 117.00 129.65 1p1v n LEU 84 Ca 0.34 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1p1v n LEU 84 Cb 0.46 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1p1v n LEU 84 CO 0.61 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 1p1v n GLY 85 N 0.92 0.48 3.19 -0.72 0.00 -1.14 -4.73 105.19 103.19 1p1v n GLY 85 Ca 0.21 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1p1v n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1p1v s ASN 86 N -4.00 2.05 0.27 1.61 0.01 -1.26 -0.59 114.94 113.02 1p1v s ASN 86 Ca 0.00 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.74 1p1v s ASN 86 Cb 0.00 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 1p1v s ASN 86 CO 0.00 0.13 0.42 0.68 -1.51 0.00 0.00 177.10 176.82 1p1v s VAL 87 N -0.71 5.20 -0.19 1.60 -7.23 -0.08 -4.89 120.40 114.10 1p1v s VAL 87 Ca 0.05 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1p1v s VAL 87 Cb -0.08 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 33.04 1p1v s VAL 87 CO 0.01 -0.38 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.37 1p1v s THR 88 N -2.07 2.31 0.04 5.32 2.01 -1.26 -0.86 115.64 121.13 1p1v s THR 88 Ca 0.37 -0.88 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1p1v s THR 88 Cb -0.10 -2.00 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 1p1v s THR 88 CO 0.31 0.50 0.58 0.00 -0.69 0.00 0.00 174.62 175.33 1p1v s ALA 89 N 1.32 3.54 0.87 7.40 0.00 0.17 -4.22 121.76 130.84 1p1v s ALA 89 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1p1v s ALA 89 Cb -0.13 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.33 1p1v s ALA 89 CO -0.11 0.29 0.22 -0.40 0.00 0.00 0.00 175.76 175.77 1p1v n ASP 90 N 2.17 0.07 0.30 0.00 5.68 -0.03 -1.20 116.55 123.53 1p1v n ASP 90 Ca -0.09 -1.11 0.19 0.00 -0.50 0.00 0.00 54.79 53.28 1p1v n ASP 90 Cb 0.51 -0.17 0.89 0.00 -1.14 0.00 0.00 41.12 41.21 1p1v n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1p1v h LYS 91 N 0.00 0.00 -0.44 0.11 2.10 -1.97 -0.70 116.57 115.67 1p1v h LYS 91 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1p1v h LYS 91 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1p1v h LYS 91 CO 0.06 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 1p1v n ASP 92 N -3.13 2.45 -0.05 7.07 8.00 -1.26 -4.89 116.55 124.74 1p1v n ASP 92 Ca -0.01 -1.98 -0.01 0.00 0.71 0.00 0.00 54.79 53.50 1p1v n ASP 92 Cb 0.21 -0.29 -0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1p1v n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1p1v n GLY 93 N 1.24 0.47 3.56 0.44 0.00 -0.27 -4.71 105.19 105.91 1p1v n GLY 93 Ca 0.16 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 1p1v n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p1v s VAL 94 N -2.00 4.63 -0.49 1.61 1.01 -1.26 -1.57 120.40 122.34 1p1v s VAL 94 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1p1v s VAL 94 Cb 0.00 -3.12 0.13 0.00 0.00 0.00 0.00 36.38 33.38 1p1v s VAL 94 CO 0.00 0.40 0.36 0.00 0.00 0.00 0.00 175.10 175.86 1p1v s ALA 95 N 0.96 3.42 0.10 5.51 0.00 0.61 -0.85 121.76 131.50 1p1v s ALA 95 Ca 0.04 -2.62 -0.30 0.00 0.00 0.00 0.00 51.96 49.08 1p1v s ALA 95 Cb -0.14 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1p1v s ALA 95 CO 0.03 -1.93 1.02 -0.51 0.00 0.00 0.00 175.76 174.37 1p1v s ASP 96 N 2.47 7.39 -0.11 0.00 1.01 -1.26 -1.25 116.67 124.91 1p1v s ASP 96 Ca 0.07 1.86 0.03 0.00 0.71 0.00 0.00 52.55 55.22 1p1v s ASP 96 Cb -0.25 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1p1v s ASP 96 CO -0.02 -0.17 -0.23 -0.69 0.21 0.00 0.00 175.17 174.28 1p1v s VAL 97 N 0.21 2.02 -0.34 -1.27 1.01 0.16 -4.81 120.40 117.38 1p1v s VAL 97 Ca 0.49 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1p1v s VAL 97 Cb -0.25 -1.76 0.16 0.00 0.00 0.00 0.00 36.38 34.53 1p1v s VAL 97 CO 0.31 0.55 0.40 -0.55 0.00 0.00 0.00 175.10 175.80 1p1v s SER 98 N 0.52 0.78 0.32 3.32 0.15 -1.25 -1.11 113.70 116.43 1p1v s SER 98 Ca -0.15 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 55.52 1p1v s SER 98 Cb -0.17 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 64.94 1p1v s SER 98 CO 0.05 -0.30 0.13 0.27 1.20 0.00 0.00 173.24 174.58 1p1v s ILE 99 N 1.95 0.55 0.00 6.45 -4.36 0.13 -5.01 121.20 120.93 1p1v s ILE 99 Ca 0.13 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.58 1p1v s ILE 99 Cb -0.13 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1p1v s ILE 99 CO -0.17 0.00 -0.17 -1.61 0.24 0.00 0.00 174.94 173.23 1p1v s GLU 100 N -3.84 1.34 -0.01 0.37 2.02 -1.26 -0.78 118.70 116.54 1p1v s GLU 100 Ca 0.34 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1p1v s GLU 100 Cb 0.06 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.96 1p1v s GLU 100 CO 0.16 0.36 -0.05 0.34 0.02 0.00 0.00 175.26 176.09 1p1v s ASP 101 N -0.61 0.64 -0.09 -0.19 2.15 -0.04 -4.97 116.67 113.56 1p1v s ASP 101 Ca 0.06 -0.09 0.14 0.00 0.43 0.00 0.00 52.55 53.09 1p1v s ASP 101 Cb -0.07 -0.12 0.43 0.00 -0.30 0.00 0.00 42.92 42.86 1p1v s ASP 101 CO -0.00 0.04 1.35 -1.20 -0.17 0.00 0.00 175.17 175.19 1p1v n SER 102 N 3.16 3.48 -0.05 -0.34 7.64 -1.26 -0.62 113.62 125.63 1p1v n SER 102 Ca -0.15 -2.51 -0.08 0.00 1.01 0.00 0.00 58.87 57.14 1p1v n SER 102 Cb 0.57 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1p1v n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1p1v n VAL 103 N 0.05 0.55 -1.33 0.44 0.31 -1.26 -4.92 118.33 112.18 1p1v n VAL 103 Ca 0.17 -0.19 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 1p1v n VAL 103 Cb 0.67 -1.10 0.10 0.00 -0.91 0.00 0.00 33.84 32.60 1p1v n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1p1v s ILE 104 N -2.19 2.35 0.15 2.52 -4.36 -1.26 -4.85 121.20 113.56 1p1v s ILE 104 Ca -0.13 0.16 -0.06 0.00 -0.26 0.00 0.00 60.65 60.36 1p1v s ILE 104 Cb 0.04 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1p1v s ILE 104 CO 0.20 -0.10 0.19 -0.55 0.24 0.00 0.00 174.94 174.92 1p1v s SER 105 N -2.21 0.15 -0.03 4.36 0.15 -1.02 -4.62 113.70 110.48 1p1v s SER 105 Ca 0.72 -0.98 0.20 0.00 0.70 0.00 0.00 55.95 56.59 1p1v s SER 105 Cb -0.27 0.38 0.62 0.00 -1.71 0.00 0.00 66.02 65.03 1p1v s SER 105 CO 0.47 -0.82 1.52 0.18 1.20 0.00 0.00 173.24 175.80 1p1v n LEU 106 N -0.16 4.02 -3.89 3.45 4.77 -1.26 -1.54 117.00 122.39 1p1v n LEU 106 Ca -0.07 -2.12 -0.08 0.00 -0.03 0.00 0.00 56.01 53.71 1p1v n LEU 106 Cb 0.63 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1p1v n LEU 106 CO 0.26 0.91 0.41 -0.94 -1.33 0.00 0.00 177.39 176.70 1p1v s SER 107 N -1.00 -0.19 0.21 -1.43 1.04 -1.26 -4.50 113.70 106.57 1p1v s SER 107 Ca 0.46 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1p1v s SER 107 Cb 0.26 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1p1v s SER 107 CO 0.29 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1p1v n GLY 108 N -0.45 -1.58 0.30 7.32 0.00 -1.26 -4.11 105.19 105.41 1p1v n GLY 108 Ca -0.04 -1.30 0.14 0.00 0.00 0.00 0.00 46.02 44.82 1p1v n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p1v h ASP 109 N 0.00 0.00 -3.69 1.61 5.19 -2.01 -3.47 116.42 114.05 1p1v h ASP 109 Ca 0.00 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.78 1p1v h ASP 109 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.36 1p1v h ASP 109 CO 0.00 0.00 -0.48 -1.00 -3.12 0.00 0.00 179.24 174.64 1p1v s HIS 110 N -4.82 3.28 0.00 4.55 3.76 -1.26 -4.87 115.29 115.94 1p1v s HIS 110 Ca -0.05 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1p1v s HIS 110 Cb 0.16 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1p1v s HIS 110 CO 0.61 -0.03 0.00 0.44 -0.85 0.00 0.00 174.74 174.91 1p1v n ILE 112 N 4.59 0.00 -1.83 0.60 -5.35 -0.59 -2.43 119.36 114.35 1p1v n ILE 112 Ca -0.14 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.93 1p1v n ILE 112 Cb 0.52 0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 1p1v n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1p1v s ILE 113 N 0.00 2.20 0.00 7.28 1.01 -1.26 -1.61 121.20 128.82 1p1v s ILE 113 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1p1v s ILE 113 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1p1v s ILE 113 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1p1v n GLY 114 N 2.38 0.69 3.75 6.18 0.00 0.28 -4.99 105.19 113.49 1p1v n GLY 114 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1p1v n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p1v n ARG 115 N -2.55 0.69 -4.24 1.61 1.74 -0.63 -2.42 116.66 110.86 1p1v n ARG 115 Ca 0.00 -3.41 -0.34 0.00 -0.77 0.00 0.00 57.85 53.33 1p1v n ARG 115 Cb 0.00 0.39 -0.13 0.00 -1.02 0.00 0.00 32.46 31.71 1p1v n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1p1v s THR 116 N -2.70 3.79 -0.01 0.55 2.01 -1.00 -0.56 115.64 117.72 1p1v s THR 116 Ca 0.29 -0.38 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 1p1v s THR 116 Cb -0.02 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1p1v s THR 116 CO 0.19 0.46 0.62 -0.22 -0.69 0.00 0.00 174.62 174.98 1p1v s LEU 117 N 0.76 4.40 -0.04 4.42 2.96 -0.44 -0.20 118.68 130.54 1p1v s LEU 117 Ca -0.01 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1p1v s LEU 117 Cb -0.14 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.58 1p1v s LEU 117 CO 0.02 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.31 1p1v s VAL 118 N -0.05 1.01 -0.08 1.68 1.01 0.27 -1.95 120.40 122.30 1p1v s VAL 118 Ca 0.32 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1p1v s VAL 118 Cb -0.18 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1p1v s VAL 118 CO 0.18 0.31 -0.08 0.54 0.00 0.00 0.00 175.10 176.04 1p1v s VAL 119 N 0.22 3.57 0.29 2.92 0.11 -0.63 -1.48 120.40 125.40 1p1v s VAL 119 Ca -0.05 -0.52 0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1p1v s VAL 119 Cb -0.10 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.25 1p1v s VAL 119 CO 0.01 0.58 0.15 -1.00 -3.33 0.00 0.00 175.10 171.51 1p1v s HIS 120 N -0.63 2.89 0.27 1.54 3.76 0.19 -0.70 115.29 122.61 1p1v s HIS 120 Ca 0.09 -0.22 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1p1v s HIS 120 Cb -0.11 -1.45 0.43 0.00 1.11 0.00 0.00 32.58 32.56 1p1v s HIS 120 CO 0.02 0.46 1.88 1.49 -0.85 0.00 0.00 174.74 177.74 1p1v h GLU 121 N 1.57 1.12 0.00 1.40 4.81 -0.63 -3.36 114.58 119.49 1p1v h GLU 121 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1p1v h GLU 121 Cb 1.25 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1p1v h GLU 121 CO 0.61 0.74 0.00 0.36 -0.73 0.00 0.00 179.01 179.99 1p1v n LYS 122 N -4.50 0.00 -2.37 1.92 2.85 -0.07 -4.89 118.16 111.09 1p1v n LYS 122 Ca 0.15 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 1p1v n LYS 122 Cb 0.19 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.55 1p1v n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1p1v s ALA 123 N -1.78 3.20 0.07 0.58 0.00 -1.19 -0.74 121.76 121.89 1p1v s ALA 123 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1p1v s ALA 123 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1p1v s ALA 123 CO 0.00 -0.40 1.15 0.34 0.00 0.00 0.00 175.76 176.85 1p1v s ASP 124 N -1.15 7.15 0.00 0.00 -1.08 -1.26 -3.75 116.67 116.58 1p1v s ASP 124 Ca 0.54 1.96 0.24 0.00 -0.52 0.00 0.00 52.55 54.78 1p1v s ASP 124 Cb -0.29 -2.58 1.08 0.00 -1.46 0.00 0.00 42.92 39.67 1p1v s ASP 124 CO 0.37 -0.40 1.77 0.00 0.52 0.00 0.00 175.17 177.43 1p1v n HIS 125 N 3.73 0.00 -1.65 -5.34 1.44 -0.07 -4.91 115.22 108.42 1p1v n HIS 125 Ca 0.08 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.69 1p1v n HIS 125 Cb 0.47 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 30.13 1p1v n HIS 125 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1p1v n LEU 126 N -1.43 -1.01 0.00 2.39 4.77 -1.26 -1.99 117.00 118.48 1p1v n LEU 126 Ca 0.08 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1p1v n LEU 126 Cb 0.25 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.71 1p1v n LEU 126 CO 0.21 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1p1v n GLY 127 N -1.47 1.03 0.88 -0.72 0.00 -1.26 -3.29 105.19 100.35 1p1v n GLY 127 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1p1v n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p1v n LYS 128 N -2.00 1.34 -0.16 1.61 5.02 -0.84 -5.04 118.16 118.09 1p1v n LYS 128 Ca 0.00 -0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 55.84 1p1v n LYS 128 Cb 0.00 -1.40 0.09 0.00 -0.02 0.00 0.00 35.03 33.69 1p1v n LYS 128 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1p1v h LYS 136 N 0.33 0.94 0.00 1.97 3.64 -2.01 -3.47 116.57 117.97 1p1v h LYS 136 Ca 0.03 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 59.01 1p1v h LYS 136 Cb 0.92 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 1p1v h LYS 136 CO 0.09 0.94 -1.97 0.25 -2.27 0.00 0.00 179.45 176.49 1p1v n THR 137 N -4.19 0.43 -0.21 1.00 -2.24 -1.26 -4.56 114.28 103.26 1p1v n THR 137 Ca 0.03 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1p1v n THR 137 Cb 0.34 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1p1v n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p1v n GLY 138 N 1.62 1.18 3.69 3.38 0.00 -1.26 -4.56 105.19 109.25 1p1v n GLY 138 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1p1v n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p1v n ASN 139 N 0.00 -4.02 -0.81 1.61 5.15 -1.26 -0.90 115.26 115.02 1p1v n ASN 139 Ca 0.00 -0.69 0.06 0.00 -0.60 0.00 0.00 54.58 53.35 1p1v n ASN 139 Cb 0.00 -4.47 0.19 0.00 -0.53 0.00 0.00 39.78 34.97 1p1v n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p1v n ALA 140 N -4.60 2.52 -0.28 5.20 0.00 -1.25 -4.72 120.51 117.38 1p1v n ALA 140 Ca -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1p1v n ALA 140 Cb 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1p1v n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p1v n GLY 141 N 1.07 -0.97 3.74 0.00 0.00 -1.26 -0.89 105.19 106.87 1p1v n GLY 141 Ca 0.14 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 1p1v n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p1v s SER 142 N -4.00 3.96 -0.56 1.61 1.04 -1.26 -4.54 113.70 109.95 1p1v s SER 142 Ca 0.00 1.72 -0.24 0.00 0.48 0.00 0.00 55.95 57.90 1p1v s SER 142 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.77 1p1v s SER 142 CO 0.00 -2.36 0.95 -0.13 0.98 0.00 0.00 173.24 172.67 1p1v s ARG 143 N -4.89 3.33 0.05 4.02 0.52 -1.26 -0.56 118.95 120.15 1p1v s ARG 143 Ca 0.62 -0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.56 1p1v s ARG 143 Cb -0.18 -4.06 -0.26 0.00 0.52 0.00 0.00 34.95 30.97 1p1v s ARG 143 CO 0.57 -1.50 1.02 -0.07 0.02 0.00 0.00 175.30 175.33 1p1v h LEU 144 N 11.01 0.29 -7.15 2.53 3.38 -1.22 -3.48 115.31 120.68 1p1v h LEU 144 Ca -0.26 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1p1v h LEU 144 Cb 1.07 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.56 1p1v h LEU 144 CO 1.09 1.29 0.07 0.00 0.09 0.00 0.00 178.44 180.99 1p1v s ALA 145 N -2.65 -1.43 0.24 1.53 0.00 -1.15 -4.18 121.76 114.12 1p1v s ALA 145 Ca -0.05 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 1p1v s ALA 145 Cb 0.08 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1p1v s ALA 145 CO 0.85 -0.48 0.75 0.00 0.00 0.00 0.00 175.76 176.89 1p1v s GLY 147 N -2.90 -0.38 0.10 0.00 0.00 -0.82 -1.53 107.32 101.80 1p1v s GLY 147 Ca 0.10 0.61 -0.26 0.00 0.00 0.00 0.00 44.72 45.17 1p1v s GLY 147 CO 0.04 0.19 0.81 0.14 0.00 0.00 0.00 173.10 174.28 1p1v s VAL 148 N -3.23 4.55 -0.21 1.40 1.01 -1.26 -1.33 120.40 121.34 1p1v s VAL 148 Ca 0.08 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.53 1p1v s VAL 148 Cb -0.01 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1p1v s VAL 148 CO -0.05 0.41 0.98 -0.63 0.00 0.00 0.00 175.10 175.82 1p1v s ILE 149 N -0.41 4.74 0.21 2.22 1.01 0.28 -4.54 121.20 124.71 1p1v s ILE 149 Ca 0.39 1.92 0.09 0.00 0.00 0.00 0.00 60.65 63.06 1p1v s ILE 149 Cb -0.22 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1p1v s ILE 149 CO 0.26 -0.12 -0.08 -0.83 0.00 0.00 0.00 174.94 174.16 1p1v s GLY 150 N 1.20 1.72 0.27 6.18 0.00 0.15 -0.55 107.32 116.29 1p1v s GLY 150 Ca 0.43 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 1p1v s GLY 150 CO 0.09 -1.58 1.32 -0.42 0.00 0.00 0.00 173.10 172.50 1p1v s ILE 151 N -1.90 2.91 0.24 0.90 1.01 -1.26 -0.56 121.20 122.54 1p1v s ILE 151 Ca 0.27 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.84 1p1v s ILE 151 Cb -0.08 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1p1v s ILE 151 CO 0.16 0.16 -0.17 0.00 0.00 0.00 0.00 174.94 175.10 1p1v s ALA 152 N -0.54 2.32 -2.00 9.38 0.00 -0.51 -4.78 121.76 125.63 1p1v s ALA 152 Ca 0.53 -1.75 0.24 0.00 0.00 0.00 0.00 51.96 50.98 1p1v s ALA 152 Cb -0.39 -0.16 1.45 0.00 0.00 0.00 0.00 23.12 24.03 1p1v s ALA 152 CO 0.46 0.16 1.82 0.94 0.00 0.00 0.00 175.76 179.13