#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ptz n THR 2 N 0.00 0.00 -3.86 0.00 -2.24 -1.15 -4.80 114.28 102.23 1ptz n THR 2 Ca 0.00 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1ptz n THR 2 Cb 0.00 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 1ptz n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ptz s LYS 3 N -2.22 0.13 0.16 -0.78 2.20 -1.15 -0.62 119.74 117.46 1ptz s LYS 3 Ca 0.01 -0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 55.56 1ptz s LYS 3 Cb 0.08 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 1ptz s LYS 3 CO 0.43 -0.02 0.17 0.00 -0.36 0.00 0.00 175.35 175.57 1ptz s ALA 4 N -0.22 0.58 0.03 3.13 0.00 -0.17 -0.85 121.76 124.25 1ptz s ALA 4 Ca -0.03 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 1ptz s ALA 4 Cb -0.02 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.11 1ptz s ALA 4 CO 0.00 -0.58 0.37 0.54 0.00 0.00 0.00 175.76 176.09 1ptz s VAL 5 N -4.04 0.06 -0.03 0.00 0.11 -0.24 -0.54 120.40 115.73 1ptz s VAL 5 Ca 0.25 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1ptz s VAL 5 Cb 0.05 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1ptz s VAL 5 CO 0.04 -0.28 0.00 0.00 -3.33 0.00 0.00 175.10 171.53 1ptz s ALA 6 N -2.22 0.28 -0.36 1.54 0.00 -0.45 -0.92 121.76 119.63 1ptz s ALA 6 Ca -0.07 0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 1ptz s ALA 6 Cb -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ptz s ALA 6 CO -0.01 -0.07 0.20 0.08 0.00 0.00 0.00 175.76 175.97 1ptz s VAL 7 N 0.95 4.65 -0.08 0.00 1.01 -1.26 -1.31 120.40 124.36 1ptz s VAL 7 Ca -0.09 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1ptz s VAL 7 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ptz s VAL 7 CO -0.02 -0.16 0.81 -0.76 0.00 0.00 0.00 175.10 174.97 1ptz s LEU 8 N 1.58 4.29 0.01 3.92 1.43 0.16 -4.01 118.68 126.06 1ptz s LEU 8 Ca 0.03 1.31 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1ptz s LEU 8 Cb -0.19 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1ptz s LEU 8 CO 0.07 -0.23 0.17 -0.54 0.23 0.00 0.00 176.35 176.05 1ptz s LYS 9 N 1.20 0.57 0.00 1.70 1.02 -0.53 -2.20 119.74 121.50 1ptz s LYS 9 Ca 0.41 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.94 1ptz s LYS 9 Cb -0.18 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1ptz s LYS 9 CO 0.19 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1ptz n GLY 10 N 1.17 4.09 0.13 -3.33 0.00 -1.24 -1.25 105.19 104.75 1ptz n GLY 10 Ca -0.21 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1ptz n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ptz h ASP 11 N 0.00 0.00 -1.27 1.61 3.32 -1.92 -3.47 116.42 114.69 1ptz h ASP 11 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1ptz h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ptz h ASP 11 CO 0.00 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1ptz n GLY 12 N 1.22 2.96 0.03 2.75 0.00 -1.26 -5.02 105.19 105.87 1ptz n GLY 12 Ca 0.03 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.20 1ptz n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ptz n PRO 13 N 0.00 0.42 -2.09 1.61 -0.04 -1.26 -4.88 135.00 128.75 1ptz n PRO 13 Ca 0.00 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 1ptz n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1ptz n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ptz s VAL 14 N -2.62 3.58 0.07 0.52 1.01 -1.26 -4.40 120.40 117.30 1ptz s VAL 14 Ca 0.26 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 63.02 1ptz s VAL 14 Cb 0.20 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1ptz s VAL 14 CO 0.49 -0.04 0.13 -1.10 0.00 0.00 0.00 175.10 174.57 1ptz s GLN 15 N 3.27 0.75 0.00 2.72 -0.21 -0.82 -3.68 119.66 121.69 1ptz s GLN 15 Ca 0.69 -0.98 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1ptz s GLN 15 Cb -0.33 0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.98 1ptz s GLN 15 CO 0.28 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.65 1ptz n GLY 16 N 0.12 0.88 2.97 3.09 0.00 -0.93 -0.03 105.19 111.28 1ptz n GLY 16 Ca -0.15 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1ptz n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ptz s ILE 17 N -2.00 1.15 -0.15 -0.61 1.01 -0.90 0.36 121.20 120.06 1ptz s ILE 17 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1ptz s ILE 17 Cb 0.00 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1ptz s ILE 17 CO 0.00 0.38 -0.20 -0.63 0.00 0.00 0.00 174.94 174.48 1ptz s ILE 18 N 1.30 2.17 0.05 2.92 -1.09 -0.43 -2.52 121.20 123.61 1ptz s ILE 18 Ca -0.02 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 1ptz s ILE 18 Cb -0.14 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.82 1ptz s ILE 18 CO -0.04 0.54 0.21 0.20 -1.23 0.00 0.00 174.94 174.62 1ptz s ASN 19 N 0.88 6.37 -0.03 3.58 0.01 0.12 -1.34 114.94 124.54 1ptz s ASN 19 Ca -0.05 0.30 0.04 0.00 -0.71 0.00 0.00 52.86 52.44 1ptz s ASN 19 Cb -0.15 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.53 1ptz s ASN 19 CO -0.03 0.19 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.24 1ptz s PHE 20 N -1.47 1.41 -0.06 2.20 0.08 0.30 -1.51 117.98 118.94 1ptz s PHE 20 Ca 0.33 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 57.01 1ptz s PHE 20 Cb -0.13 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 1ptz s PHE 20 CO 0.26 -0.10 0.13 -2.00 -0.10 0.00 0.00 175.22 173.41 1ptz s GLU 21 N -0.08 0.11 -0.30 0.44 2.12 -0.46 -1.00 118.70 119.53 1ptz s GLU 21 Ca 0.00 0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.59 1ptz s GLU 21 Cb -0.09 -0.08 0.10 0.00 0.26 0.00 0.00 34.13 34.33 1ptz s GLU 21 CO 0.01 -0.10 0.12 -1.14 -0.54 0.00 0.00 175.26 173.61 1ptz s GLN 22 N 0.72 0.39 0.10 4.30 0.74 0.21 -0.26 119.66 125.86 1ptz s GLN 22 Ca -0.05 -0.76 -0.30 0.00 0.05 0.00 0.00 55.36 54.30 1ptz s GLN 22 Cb -0.07 -1.45 -0.11 0.00 1.10 0.00 0.00 33.01 32.48 1ptz s GLN 22 CO -0.03 -1.02 1.62 0.87 -0.55 0.00 0.00 175.29 176.17 1ptz h LYS 23 N 8.22 -0.62 -6.16 1.67 1.79 -1.80 -3.42 116.57 116.26 1ptz h LYS 23 Ca -0.17 0.04 -0.64 0.00 -2.18 0.00 0.00 60.65 57.71 1ptz h LYS 23 Cb 1.01 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 31.71 1ptz h LYS 23 CO 0.44 -0.41 -0.59 -1.21 -1.08 0.00 0.00 179.45 176.60 1ptz s GLU 24 N -6.01 2.93 0.53 3.15 0.41 -1.26 -5.01 118.70 113.43 1ptz s GLU 24 Ca -0.16 -0.67 0.25 0.00 -0.41 0.00 0.00 54.97 53.98 1ptz s GLU 24 Cb 0.07 -2.75 1.39 0.00 -1.78 0.00 0.00 34.13 31.05 1ptz s GLU 24 CO 0.64 0.57 1.99 0.66 -0.49 0.00 0.00 175.26 178.63 1ptz h SER 25 N 3.25 0.01 0.00 -0.19 4.64 -1.97 -1.25 113.55 118.05 1ptz h SER 25 Ca -0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1ptz h SER 25 Cb 1.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1ptz h SER 25 CO 0.67 0.01 -0.37 -0.46 -0.87 0.00 0.00 176.83 175.80 1ptz n ASN 26 N -4.38 1.81 -4.93 4.97 0.23 -1.26 -4.91 115.26 106.79 1ptz n ASN 26 Ca 0.10 -3.44 -0.20 0.00 -0.53 0.00 0.00 54.58 50.50 1ptz n ASN 26 Cb 0.61 -0.47 0.05 0.00 -2.08 0.00 0.00 39.78 37.89 1ptz n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ptz s GLY 27 N -2.96 1.83 0.71 4.83 0.00 -0.47 -5.08 107.32 106.18 1ptz s GLY 27 Ca 0.34 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 1ptz s GLY 27 CO -0.04 -1.27 1.10 2.56 0.00 0.00 0.00 173.10 175.45 1ptz s PRO 28 N -4.73 2.53 -0.22 2.90 0.04 -1.26 -4.86 135.00 129.40 1ptz s PRO 28 Ca 0.59 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1ptz s PRO 28 Cb -0.09 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ptz s PRO 28 CO 0.38 -1.45 0.09 0.08 0.04 0.00 0.00 177.00 176.15 1ptz s VAL 29 N -2.61 4.70 -0.00 -0.36 1.01 0.36 -4.50 120.40 119.00 1ptz s VAL 29 Ca 0.64 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 1ptz s VAL 29 Cb -0.19 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1ptz s VAL 29 CO 0.48 0.38 0.70 -0.54 0.00 0.00 0.00 175.10 176.12 1ptz s LYS 30 N 1.07 4.43 -0.14 2.72 1.02 0.65 -1.33 119.74 128.15 1ptz s LYS 30 Ca 0.05 0.92 0.01 0.00 0.02 0.00 0.00 55.97 56.97 1ptz s LYS 30 Cb -0.14 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.80 1ptz s LYS 30 CO 0.03 0.23 -0.16 0.08 -0.92 0.00 0.00 175.35 174.62 1ptz s VAL 31 N 0.19 1.67 -0.01 3.17 1.01 0.11 -1.36 120.40 125.18 1ptz s VAL 31 Ca 0.36 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 1ptz s VAL 31 Cb -0.19 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1ptz s VAL 31 CO 0.20 0.47 0.42 -1.66 0.00 0.00 0.00 175.10 174.53 1ptz s TRP 32 N 1.26 -0.31 -4.62 5.22 -2.14 -0.57 -0.15 118.94 117.63 1ptz s TRP 32 Ca 0.01 0.45 0.00 0.00 2.66 0.00 0.00 56.10 59.22 1ptz s TRP 32 Cb -0.14 0.20 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1ptz s TRP 32 CO -0.08 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 1ptz n GLY 33 N 0.99 -0.50 3.10 3.67 0.00 -0.54 0.13 105.19 112.03 1ptz n GLY 33 Ca -0.20 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1ptz n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ptz s SER 34 N -4.00 0.11 -0.04 1.61 0.15 -1.05 -0.70 113.70 109.79 1ptz s SER 34 Ca 0.00 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1ptz s SER 34 Cb 0.00 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1ptz s SER 34 CO 0.00 -0.42 -0.03 -0.63 1.20 0.00 0.00 173.24 173.36 1ptz s ILE 35 N -1.88 0.44 0.38 6.45 1.01 -0.65 -2.12 121.20 124.84 1ptz s ILE 35 Ca -0.11 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.56 1ptz s ILE 35 Cb -0.05 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 1ptz s ILE 35 CO -0.01 0.21 0.05 -1.59 0.00 0.00 0.00 174.94 173.60 1ptz s LYS 36 N 1.01 2.06 0.00 2.79 -2.85 0.95 -0.71 119.74 123.00 1ptz s LYS 36 Ca -0.10 -1.91 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1ptz s LYS 36 Cb -0.14 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 1ptz s LYS 36 CO -0.01 0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1ptz n GLY 37 N -1.03 0.67 3.90 0.59 0.00 -1.07 -1.94 105.19 106.31 1ptz n GLY 37 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1ptz n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ptz s LEU 38 N 0.00 3.76 0.08 0.99 1.43 -0.73 -4.40 118.68 119.82 1ptz s LEU 38 Ca 0.00 0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 53.75 1ptz s LEU 38 Cb 0.00 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 1ptz s LEU 38 CO 0.00 -0.47 0.75 -0.89 0.23 0.00 0.00 176.35 175.98 1ptz s THR 39 N -2.55 4.62 0.18 5.49 2.01 -1.26 -4.05 115.64 120.08 1ptz s THR 39 Ca 0.47 1.62 -0.32 0.00 0.31 0.00 0.00 61.69 63.77 1ptz s THR 39 Cb -0.10 -4.11 -0.16 0.00 0.01 0.00 0.00 72.50 68.14 1ptz s THR 39 CO 0.40 0.43 1.11 1.21 -0.69 0.00 0.00 174.62 177.07 1ptz n GLU 40 N 2.35 1.08 0.00 4.92 2.13 -1.26 -4.67 120.64 125.19 1ptz n GLU 40 Ca -0.04 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.17 1ptz n GLU 40 Cb 0.50 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1ptz n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ptz n GLY 41 N 1.90 0.57 3.74 8.31 0.00 -0.59 -4.93 105.19 114.20 1ptz n GLY 41 Ca 0.15 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1ptz n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ptz s LEU 42 N 0.00 4.58 -0.03 0.99 1.43 -1.26 -1.28 118.68 123.10 1ptz s LEU 42 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1ptz s LEU 42 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1ptz s LEU 42 CO 0.00 0.02 -0.01 -0.13 0.23 0.00 0.00 176.35 176.46 1ptz s ARG 43 N -0.81 0.38 0.43 1.70 1.81 -0.56 -3.16 118.95 118.74 1ptz s ARG 43 Ca 0.44 0.05 -0.24 0.00 -1.72 0.00 0.00 55.73 54.26 1ptz s ARG 43 Cb -0.27 -0.54 -0.10 0.00 -0.45 0.00 0.00 34.95 33.59 1ptz s ARG 43 CO 0.33 -0.13 0.98 0.41 -0.68 0.00 0.00 175.30 176.21 1ptz n GLY 44 N 4.14 -0.28 2.69 -3.53 0.00 -0.39 -1.66 105.19 106.15 1ptz n GLY 44 Ca -0.26 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1ptz n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ptz s PHE 45 N -1.29 -0.12 0.17 1.61 5.36 0.18 -0.28 117.98 123.60 1ptz s PHE 45 Ca 0.64 -0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 56.36 1ptz s PHE 45 Cb -0.55 -0.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.55 1ptz s PHE 45 CO 0.56 -0.72 0.21 -1.01 -1.46 0.00 0.00 175.22 172.81 1ptz s HIS 46 N 2.26 0.66 -0.24 10.12 3.76 -0.74 -2.31 115.29 128.80 1ptz s HIS 46 Ca 0.07 -1.01 -0.12 0.00 -0.15 0.00 0.00 55.06 53.86 1ptz s HIS 46 Cb -0.15 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.24 1ptz s HIS 46 CO -0.22 -0.67 0.22 0.08 -0.85 0.00 0.00 174.74 173.29 1ptz s VAL 47 N -4.03 5.32 0.19 -0.90 1.01 0.35 -0.33 120.40 122.01 1ptz s VAL 47 Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1ptz s VAL 47 Cb 0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1ptz s VAL 47 CO 0.04 0.31 0.37 -1.00 0.00 0.00 0.00 175.10 174.81 1ptz s HIS 48 N 1.22 3.48 0.17 5.22 3.76 0.44 -0.81 115.29 128.78 1ptz s HIS 48 Ca 0.10 0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.13 1ptz s HIS 48 Cb -0.14 -1.80 0.12 0.00 1.11 0.00 0.00 32.58 31.87 1ptz s HIS 48 CO 0.06 0.41 1.66 1.49 -0.85 0.00 0.00 174.74 177.51 1ptz h GLU 49 N 1.98 0.01 -5.68 1.40 4.81 -0.77 -2.56 114.58 113.77 1ptz h GLU 49 Ca -0.48 -0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.09 1ptz h GLU 49 Cb 1.19 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 1ptz h GLU 49 CO 0.68 0.00 -0.57 -0.06 -0.73 0.00 0.00 179.01 178.33 1ptz s PHE 50 N -6.22 3.29 -0.75 0.92 0.08 0.23 -4.65 117.98 110.87 1ptz s PHE 50 Ca -0.14 0.23 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 1ptz s PHE 50 Cb 0.15 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 1ptz s PHE 50 CO 0.71 0.44 2.57 0.41 -0.10 0.00 0.00 175.22 179.25 1ptz n GLY 51 N 2.51 4.76 3.16 4.36 0.00 -1.08 -3.61 105.19 115.29 1ptz n GLY 51 Ca -0.18 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 1ptz n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ptz s ASP 52 N 0.18 3.63 -0.23 1.61 3.68 -1.26 -4.93 116.67 119.34 1ptz s ASP 52 Ca 0.56 -0.72 0.11 0.00 2.13 0.00 0.00 52.55 54.63 1ptz s ASP 52 Cb 0.32 -1.56 0.44 0.00 -1.45 0.00 0.00 42.92 40.68 1ptz s ASP 52 CO -0.20 -0.04 1.29 -3.20 0.13 0.00 0.00 175.17 173.15 1ptz n ASN 53 N 4.64 1.96 -0.28 -0.34 5.15 -1.26 -2.82 115.26 122.31 1ptz n ASN 53 Ca -0.19 -3.85 -0.01 0.00 -0.60 0.00 0.00 54.58 49.93 1ptz n ASN 53 Cb 0.49 -0.56 0.12 0.00 -0.53 0.00 0.00 39.78 39.29 1ptz n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1ptz h THR 54 N 0.98 1.04 -0.52 -0.44 1.35 -1.94 -2.75 112.91 110.63 1ptz h THR 54 Ca 0.07 -0.30 -0.37 0.00 -0.55 0.00 0.00 66.41 65.26 1ptz h THR 54 Cb 1.20 0.08 -0.26 0.00 -1.73 0.00 0.00 68.15 67.44 1ptz h THR 54 CO 0.12 0.16 -0.49 0.00 -0.25 0.00 0.00 175.52 175.06 1ptz n ALA 55 N -2.34 4.69 0.00 6.62 0.00 -1.26 -5.08 120.51 123.13 1ptz n ALA 55 Ca 0.10 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1ptz n ALA 55 Cb 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1ptz n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptz n GLY 56 N -0.90 -1.84 0.18 0.00 0.00 -1.04 -4.11 105.19 97.49 1ptz n GLY 56 Ca 0.38 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1ptz n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ptz h THR 58 N 0.00 1.16 0.00 0.00 2.02 -1.90 -2.53 112.91 111.66 1ptz h THR 58 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1ptz h THR 58 Cb 0.11 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1ptz h THR 58 CO 0.00 0.22 0.00 -1.20 0.37 0.00 0.00 175.52 174.91 1ptz n SER 59 N -4.29 0.00 0.04 4.18 7.64 -0.94 -3.05 113.62 117.20 1ptz n SER 59 Ca -0.01 0.33 0.10 0.00 1.01 0.00 0.00 58.87 60.29 1ptz n SER 59 Cb 0.26 -0.42 0.40 0.00 -1.01 0.00 0.00 64.21 63.44 1ptz n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ptz n ALA 60 N -1.42 1.78 -0.31 -0.43 0.00 -0.95 -4.44 120.51 114.75 1ptz n ALA 60 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ptz n ALA 60 Cb 0.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1ptz n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptz n GLY 61 N 0.26 -1.08 2.53 0.00 0.00 -1.17 -0.60 105.19 105.13 1ptz n GLY 61 Ca 0.04 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1ptz n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ptz n PRO 62 N -0.20 -1.07 -1.96 1.61 -0.04 -1.26 -4.66 135.00 127.42 1ptz n PRO 62 Ca 0.00 -1.34 -0.40 0.00 -0.04 0.00 0.00 63.50 61.72 1ptz n PRO 62 Cb 0.00 -0.93 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 1ptz n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ptz s HIS 63 N -2.85 2.74 -0.08 0.54 3.76 -1.26 -0.49 115.29 117.64 1ptz s HIS 63 Ca 0.50 1.33 -0.32 0.00 -0.15 0.00 0.00 55.06 56.42 1ptz s HIS 63 Cb -0.02 -3.79 -0.10 0.00 1.11 0.00 0.00 32.58 29.78 1ptz s HIS 63 CO 0.35 -2.40 1.96 0.34 -0.85 0.00 0.00 174.74 174.14 1ptz n PHE 64 N 0.24 2.32 -2.82 1.40 -0.00 0.01 -4.37 117.46 114.24 1ptz n PHE 64 Ca 0.03 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.45 57.27 1ptz n PHE 64 Cb 0.42 -2.71 0.01 0.00 -0.00 0.00 0.00 39.48 37.20 1ptz n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1ptz n ASN 65 N 7.58 -2.89 -0.25 -2.13 5.15 -1.26 -2.17 115.26 119.29 1ptz n ASN 65 Ca 0.23 -3.00 -0.05 0.00 -0.60 0.00 0.00 54.58 51.17 1ptz n ASN 65 Cb 0.34 1.51 0.00 0.00 -0.53 0.00 0.00 39.78 41.10 1ptz n ASN 65 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ptz h PRO 66 N 4.66 -0.13 -0.79 1.20 0.11 -1.93 -2.76 132.00 132.37 1ptz h PRO 66 Ca 0.01 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1ptz h PRO 66 Cb 1.06 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.07 1ptz h PRO 66 CO 0.17 -0.09 0.26 1.28 -0.21 0.00 0.00 178.00 179.41 1ptz n LEU 67 N -5.43 5.79 -3.51 2.35 7.99 -1.26 -4.96 117.00 117.96 1ptz n LEU 67 Ca 0.05 -3.01 -0.24 0.00 -0.01 0.00 0.00 56.01 52.80 1ptz n LEU 67 Cb 0.36 -0.73 0.05 0.00 -0.11 0.00 0.00 43.42 42.99 1ptz n LEU 67 CO -0.03 0.77 -0.02 -1.20 -1.51 0.00 0.00 177.39 175.40 1ptz n SER 68 N -0.11 -5.91 -4.89 -1.43 7.64 -1.04 -5.02 113.62 102.85 1ptz n SER 68 Ca 0.38 -0.86 -0.21 0.00 1.01 0.00 0.00 58.87 59.19 1ptz n SER 68 Cb 1.31 -4.04 0.06 0.00 -1.01 0.00 0.00 64.21 60.53 1ptz n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ptz s ARG 69 N -5.26 2.25 0.40 1.43 0.52 -1.26 -5.10 118.95 111.93 1ptz s ARG 69 Ca 0.43 -1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1ptz s ARG 69 Cb -0.12 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 1ptz s ARG 69 CO 0.82 -0.92 0.67 0.15 0.02 0.00 0.00 175.30 176.04 1ptz s LYS 70 N -4.81 3.56 0.49 3.54 -0.14 -1.26 -4.81 119.74 116.31 1ptz s LYS 70 Ca 0.61 0.02 -0.22 0.00 -1.36 0.00 0.00 55.97 55.02 1ptz s LYS 70 Cb -0.08 -2.51 -0.07 0.00 -1.68 0.00 0.00 37.83 33.50 1ptz s LYS 70 CO 0.40 -0.01 1.20 -1.58 -0.76 0.00 0.00 175.35 174.59 1ptz s HIS 71 N -2.47 2.73 0.40 3.18 5.65 0.10 -3.22 115.29 121.66 1ptz s HIS 71 Ca 0.45 1.51 -0.14 0.00 0.25 0.00 0.00 55.06 57.12 1ptz s HIS 71 Cb -0.10 -3.45 0.06 0.00 -1.18 0.00 0.00 32.58 27.91 1ptz s HIS 71 CO 0.39 -1.78 0.78 0.41 -0.65 0.00 0.00 174.74 173.89 1ptz n GLY 72 N 0.47 1.03 3.90 1.59 0.00 -1.25 -4.45 105.19 106.47 1ptz n GLY 72 Ca 0.09 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1ptz n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ptz s GLY 73 N -3.10 1.59 0.56 -0.02 0.00 -1.17 -4.73 107.32 100.46 1ptz s GLY 73 Ca 0.17 -0.43 0.25 0.00 0.00 0.00 0.00 44.72 44.71 1ptz s GLY 73 CO 0.13 -0.17 2.09 -0.56 0.00 0.00 0.00 173.10 174.58 1ptz h PRO 74 N -0.20 0.00 -0.24 2.90 0.13 -1.87 -0.59 132.00 132.12 1ptz h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ptz h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ptz h PRO 74 CO 0.62 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.02 1ptz n LYS 75 N -4.12 2.06 -3.04 0.86 5.02 -1.26 -4.93 118.16 112.76 1ptz n LYS 75 Ca 0.03 -1.60 -0.38 0.00 -2.02 0.00 0.00 58.31 54.34 1ptz n LYS 75 Cb 0.35 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 1ptz n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ptz s ASP 76 N -1.57 7.23 0.21 4.39 -0.00 -0.23 -4.97 116.67 121.73 1ptz s ASP 76 Ca 0.35 1.54 -0.09 0.00 -0.00 0.00 0.00 52.55 54.35 1ptz s ASP 76 Cb 0.20 -2.46 0.16 0.00 -0.00 0.00 0.00 42.92 40.82 1ptz s ASP 76 CO 0.29 0.12 1.82 -0.08 -0.00 0.00 0.00 175.17 177.32 1ptz h GLU 77 N 3.88 1.14 -4.78 8.23 4.81 -1.92 -3.38 114.58 122.57 1ptz h GLU 77 Ca -0.48 -0.15 -0.67 0.00 -0.13 0.00 0.00 59.36 57.93 1ptz h GLU 77 Cb 1.20 -0.21 -0.20 0.00 0.63 0.00 0.00 28.75 30.17 1ptz h GLU 77 CO 0.65 0.86 -0.51 -2.00 -0.73 0.00 0.00 179.01 177.28 1ptz s GLU 78 N -5.76 3.54 0.12 1.92 2.12 -1.26 -5.04 118.70 114.33 1ptz s GLU 78 Ca -0.13 -0.60 -0.25 0.00 0.36 0.00 0.00 54.97 54.35 1ptz s GLU 78 Cb 0.16 -3.69 0.07 0.00 0.26 0.00 0.00 34.13 30.93 1ptz s GLU 78 CO 0.82 -0.38 0.83 -0.98 -0.54 0.00 0.00 175.26 175.01 1ptz s ARG 79 N 1.69 1.17 0.42 4.30 1.70 -1.20 -3.83 118.95 123.21 1ptz s ARG 79 Ca 0.06 -0.54 -0.16 0.00 -0.47 0.00 0.00 55.73 54.61 1ptz s ARG 79 Cb -0.17 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.59 1ptz s ARG 79 CO 0.09 -0.52 0.88 -1.01 -1.08 0.00 0.00 175.30 173.65 1ptz s HIS 80 N -3.41 3.40 0.34 5.89 3.76 -1.21 -4.72 115.29 119.33 1ptz s HIS 80 Ca 0.07 1.37 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 1ptz s HIS 80 Cb -0.02 -2.68 0.69 0.00 1.11 0.00 0.00 32.58 31.68 1ptz s HIS 80 CO -0.04 -0.14 1.90 0.28 -0.85 0.00 0.00 174.74 175.90 1ptz h VAL 81 N 1.48 0.96 -0.03 -0.90 2.07 -1.89 -2.03 116.25 115.90 1ptz h VAL 81 Ca -0.48 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ptz h VAL 81 Cb 1.18 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1ptz h VAL 81 CO 0.63 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.98 1ptz n GLY 82 N -1.42 -0.76 3.55 2.17 0.00 -0.92 -4.27 105.19 103.54 1ptz n GLY 82 Ca 0.15 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1ptz n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ptz s ASP 83 N -1.50 6.03 -0.21 1.61 1.01 -0.77 -0.50 116.67 122.35 1ptz s ASP 83 Ca 0.25 -0.24 0.15 0.00 0.71 0.00 0.00 52.55 53.42 1ptz s ASP 83 Cb 0.12 -2.55 0.63 0.00 1.01 0.00 0.00 42.92 42.12 1ptz s ASP 83 CO 0.20 -1.90 1.55 0.18 0.21 0.00 0.00 175.17 175.41 1ptz n LEU 84 N 9.88 4.60 0.00 1.23 4.77 -0.98 -3.75 117.00 132.75 1ptz n LEU 84 Ca 0.07 -3.06 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 1ptz n LEU 84 Cb 0.49 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1ptz n LEU 84 CO 0.71 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 1ptz n GLY 85 N -0.22 2.50 3.33 -0.72 0.00 -1.21 -4.77 105.19 104.10 1ptz n GLY 85 Ca 0.26 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1ptz n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ptz s ASN 86 N -4.00 2.73 0.13 1.61 0.01 -1.26 -0.65 114.94 113.51 1ptz s ASN 86 Ca 0.00 -0.82 0.07 0.00 -0.71 0.00 0.00 52.86 51.40 1ptz s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1ptz s ASN 86 CO 0.00 0.00 -0.07 0.68 -1.51 0.00 0.00 177.10 176.21 1ptz s VAL 87 N -1.82 3.49 -0.23 1.60 -7.23 -0.66 -4.92 120.40 110.63 1ptz s VAL 87 Ca 0.14 -1.33 -0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1ptz s VAL 87 Cb -0.07 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1ptz s VAL 87 CO 0.06 0.03 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.89 1ptz s THR 88 N -1.42 2.56 0.14 5.32 2.01 -1.26 -1.50 115.64 121.49 1ptz s THR 88 Ca 0.24 -1.11 -0.26 0.00 0.31 0.00 0.00 61.69 60.86 1ptz s THR 88 Cb -0.10 -2.29 -0.07 0.00 0.01 0.00 0.00 72.50 70.04 1ptz s THR 88 CO 0.16 0.24 0.81 0.00 -0.69 0.00 0.00 174.62 175.14 1ptz s ALA 89 N 1.28 3.39 0.76 7.40 0.00 -0.41 -4.32 121.76 129.86 1ptz s ALA 89 Ca -0.00 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1ptz s ALA 89 Cb -0.16 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 20.01 1ptz s ALA 89 CO -0.06 0.19 0.55 -0.40 0.00 0.00 0.00 175.76 176.03 1ptz n ASP 90 N 2.04 0.38 -0.00 0.00 3.85 0.20 -1.54 116.55 121.48 1ptz n ASP 90 Ca -0.03 -1.41 0.20 0.00 -0.71 0.00 0.00 54.79 52.84 1ptz n ASP 90 Cb 0.49 -0.39 0.69 0.00 -1.35 0.00 0.00 41.12 40.56 1ptz n ASP 90 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 1ptz h LYS 91 N 0.00 0.00 -0.21 0.11 2.10 -1.97 0.15 116.57 116.75 1ptz h LYS 91 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1ptz h LYS 91 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1ptz h LYS 91 CO 0.16 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.36 1ptz n ASP 92 N -4.36 1.65 -0.07 7.07 10.43 -1.26 -4.84 116.55 125.16 1ptz n ASP 92 Ca 0.10 -1.78 -0.01 0.00 2.57 0.00 0.00 54.79 55.67 1ptz n ASP 92 Cb 0.62 -0.14 -0.00 0.00 1.84 0.00 0.00 41.12 43.44 1ptz n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ptz n GLY 93 N 1.09 0.47 3.52 0.44 0.00 0.53 -4.74 105.19 106.50 1ptz n GLY 93 Ca 0.15 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1ptz n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ptz s VAL 94 N -2.02 3.70 -0.25 1.61 1.01 -1.26 -1.76 120.40 121.43 1ptz s VAL 94 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ptz s VAL 94 Cb 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1ptz s VAL 94 CO 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 1ptz s ALA 95 N -0.14 2.76 -0.39 5.51 0.00 0.11 -0.63 121.76 128.99 1ptz s ALA 95 Ca 0.02 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 1ptz s ALA 95 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1ptz s ALA 95 CO 0.03 -0.79 0.61 -0.51 0.00 0.00 0.00 175.76 175.10 1ptz s ASP 96 N 1.37 6.36 -0.14 0.00 -0.00 -1.26 -1.64 116.67 121.35 1ptz s ASP 96 Ca 0.01 -0.10 -0.16 0.00 -0.00 0.00 0.00 52.55 52.30 1ptz s ASP 96 Cb -0.16 -2.31 -0.04 0.00 -0.00 0.00 0.00 42.92 40.40 1ptz s ASP 96 CO -0.03 -0.65 0.39 -0.69 -0.00 0.00 0.00 175.17 174.19 1ptz s VAL 97 N 2.68 5.24 -0.37 -1.27 1.01 0.13 -4.88 120.40 122.93 1ptz s VAL 97 Ca 0.22 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.02 1ptz s VAL 97 Cb -0.15 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.67 1ptz s VAL 97 CO 0.16 0.34 0.47 -0.55 0.00 0.00 0.00 175.10 175.53 1ptz s SER 98 N 0.61 0.10 0.19 3.32 0.15 -1.24 -1.47 113.70 115.35 1ptz s SER 98 Ca 0.21 -1.12 0.05 0.00 0.70 0.00 0.00 55.95 55.79 1ptz s SER 98 Cb -0.14 1.14 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1ptz s SER 98 CO 0.07 -0.24 -0.08 -0.63 1.20 0.00 0.00 173.24 173.57 1ptz s ILE 99 N 1.74 1.26 -0.04 6.45 1.01 0.79 -5.00 121.20 127.41 1ptz s ILE 99 Ca 0.16 -2.08 0.01 0.00 0.00 0.00 0.00 60.65 58.73 1ptz s ILE 99 Cb -0.11 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1ptz s ILE 99 CO -0.09 -0.56 -0.03 -1.61 0.00 0.00 0.00 174.94 172.65 1ptz s GLU 100 N -3.76 0.71 0.05 2.79 2.02 -1.26 0.08 118.70 119.32 1ptz s GLU 100 Ca 0.22 -0.06 0.06 0.00 0.02 0.00 0.00 54.97 55.21 1ptz s GLU 100 Cb 0.03 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.48 1ptz s GLU 100 CO 0.05 -0.09 -0.18 0.34 0.02 0.00 0.00 175.26 175.40 1ptz s ASP 101 N 0.95 2.10 -0.00 -0.19 -1.08 -0.44 -4.95 116.67 113.06 1ptz s ASP 101 Ca -0.11 -0.51 0.18 0.00 -0.52 0.00 0.00 52.55 51.59 1ptz s ASP 101 Cb -0.14 -0.15 -0.20 0.00 -1.46 0.00 0.00 42.92 40.97 1ptz s ASP 101 CO -0.00 0.09 0.75 -1.20 0.52 0.00 0.00 175.17 175.32 1ptz n SER 102 N 1.77 0.84 -0.09 -0.34 7.64 -1.26 -0.49 113.62 121.70 1ptz n SER 102 Ca -0.18 -0.89 -0.23 0.00 1.01 0.00 0.00 58.87 58.58 1ptz n SER 102 Cb 0.54 1.03 -0.12 0.00 -1.01 0.00 0.00 64.21 64.65 1ptz n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1ptz n VAL 103 N -1.45 1.60 -1.21 0.44 0.31 -1.26 -4.93 118.33 111.83 1ptz n VAL 103 Ca 0.03 -0.35 -0.31 0.00 -0.01 0.00 0.00 64.34 63.71 1ptz n VAL 103 Cb 0.29 -1.84 0.11 0.00 -0.91 0.00 0.00 33.84 31.49 1ptz n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1ptz s ILE 104 N -2.47 3.03 0.26 2.52 -4.36 -1.26 -4.86 121.20 114.07 1ptz s ILE 104 Ca -0.30 0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 60.29 1ptz s ILE 104 Cb 0.08 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 41.00 1ptz s ILE 104 CO 0.62 -0.44 0.54 -0.55 0.24 0.00 0.00 174.94 175.35 1ptz s SER 105 N -3.37 -0.06 -0.10 4.36 0.15 -1.03 -4.61 113.70 109.03 1ptz s SER 105 Ca 0.62 -0.91 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1ptz s SER 105 Cb -0.18 0.63 0.47 0.00 -1.71 0.00 0.00 66.02 65.24 1ptz s SER 105 CO 0.56 -1.21 1.39 0.18 1.20 0.00 0.00 173.24 175.37 1ptz n LEU 106 N -0.41 3.67 -3.43 3.45 4.77 -1.26 -1.52 117.00 122.27 1ptz n LEU 106 Ca -0.02 -2.56 -0.12 0.00 -0.03 0.00 0.00 56.01 53.28 1ptz n LEU 106 Cb 0.61 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ptz n LEU 106 CO 0.22 0.71 0.44 -0.94 -1.33 0.00 0.00 177.39 176.48 1ptz s SER 107 N -1.43 -0.55 0.22 -1.43 1.04 -1.26 -4.37 113.70 105.92 1ptz s SER 107 Ca 0.36 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ptz s SER 107 Cb 0.26 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1ptz s SER 107 CO 0.13 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1ptz n GLY 108 N -0.32 -1.54 0.38 7.32 0.00 -1.26 -3.34 105.19 106.43 1ptz n GLY 108 Ca -0.16 -1.29 0.15 0.00 0.00 0.00 0.00 46.02 44.72 1ptz n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ptz h ASP 109 N 0.00 0.58 -0.35 1.61 3.45 -2.01 -0.83 116.42 118.87 1ptz h ASP 109 Ca 0.00 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1ptz h ASP 109 Cb 0.00 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1ptz h ASP 109 CO 0.00 0.25 0.00 1.41 -1.57 0.00 0.00 179.24 179.33 1ptz n HIS 110 N -4.58 0.46 -1.78 4.55 8.25 -1.26 -4.96 115.22 115.90 1ptz n HIS 110 Ca 0.20 -0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1ptz n HIS 110 Cb 0.59 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.68 1ptz n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ptz s SER 111 N -1.18 6.40 0.00 0.41 0.15 -0.32 -2.45 113.70 116.71 1ptz s SER 111 Ca 0.30 2.89 0.22 0.00 0.70 0.00 0.00 55.95 60.07 1ptz s SER 111 Cb 0.16 -2.62 0.30 0.00 -1.71 0.00 0.00 66.02 62.15 1ptz s SER 111 CO 0.22 -0.92 1.30 2.30 1.20 0.00 0.00 173.24 177.34 1ptz n ILE 112 N 2.82 0.28 -1.89 6.45 -5.35 -0.58 -4.92 119.36 116.18 1ptz n ILE 112 Ca 0.11 -0.64 -0.42 0.00 -0.27 0.00 0.00 62.75 61.53 1ptz n ILE 112 Cb 0.37 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1ptz n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ptz s ILE 113 N -1.65 2.54 0.00 7.28 -1.09 -1.26 -1.58 121.20 125.44 1ptz s ILE 113 Ca 0.32 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1ptz s ILE 113 Cb 0.21 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 1ptz s ILE 113 CO 0.29 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1ptz n GLY 114 N 3.83 0.77 3.03 6.18 0.00 0.78 -5.01 105.19 114.78 1ptz n GLY 114 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1ptz n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ptz n ARG 115 N -2.28 0.82 -4.83 1.61 1.74 -0.62 -2.62 116.66 110.47 1ptz n ARG 115 Ca 0.00 -2.67 -0.33 0.00 -0.77 0.00 0.00 57.85 54.08 1ptz n ARG 115 Cb 0.00 0.19 -0.14 0.00 -1.02 0.00 0.00 32.46 31.49 1ptz n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ptz s THR 116 N -2.10 3.02 -0.13 0.55 2.01 -0.96 0.13 115.64 118.16 1ptz s THR 116 Ca 0.29 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 1ptz s THR 116 Cb -0.02 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 1ptz s THR 116 CO 0.19 0.55 0.37 -0.22 -0.69 0.00 0.00 174.62 174.81 1ptz s LEU 117 N 0.02 4.27 0.02 4.42 2.96 -0.42 0.16 118.68 130.12 1ptz s LEU 117 Ca -0.04 0.66 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1ptz s LEU 117 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.02 1ptz s LEU 117 CO 0.04 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 1ptz s VAL 118 N 0.40 1.21 -0.13 1.68 1.01 0.56 -1.82 120.40 123.31 1ptz s VAL 118 Ca 0.21 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ptz s VAL 118 Cb -0.14 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1ptz s VAL 118 CO 0.07 0.17 -0.21 0.54 0.00 0.00 0.00 175.10 175.67 1ptz s VAL 119 N -0.63 2.19 0.50 2.92 0.11 -0.75 -1.80 120.40 122.95 1ptz s VAL 119 Ca 0.04 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1ptz s VAL 119 Cb -0.07 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 1ptz s VAL 119 CO 0.01 0.55 0.73 -1.00 -3.33 0.00 0.00 175.10 172.06 1ptz s HIS 120 N 0.63 3.07 0.11 1.54 3.76 0.61 -1.52 115.29 123.49 1ptz s HIS 120 Ca -0.11 0.16 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 1ptz s HIS 120 Cb -0.16 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.95 1ptz s HIS 120 CO 0.02 -0.61 1.56 1.49 -0.85 0.00 0.00 174.74 176.35 1ptz h GLU 121 N 0.21 0.60 -5.53 1.40 4.81 -0.85 -3.37 114.58 111.86 1ptz h GLU 121 Ca -0.44 -0.19 -0.64 0.00 -0.13 0.00 0.00 59.36 57.96 1ptz h GLU 121 Cb 1.27 -0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 1ptz h GLU 121 CO 0.55 0.72 -0.54 0.15 -0.73 0.00 0.00 179.01 179.16 1ptz s LYS 122 N -5.02 2.09 0.53 1.92 -0.14 -0.11 -4.93 119.74 114.08 1ptz s LYS 122 Ca -0.13 -2.18 -0.20 0.00 -1.36 0.00 0.00 55.97 52.10 1ptz s LYS 122 Cb 0.09 -1.66 -0.06 0.00 -1.68 0.00 0.00 37.83 34.52 1ptz s LYS 122 CO 0.77 -0.20 1.11 0.00 -0.76 0.00 0.00 175.35 176.28 1ptz s ALA 123 N -2.76 2.73 -0.23 5.17 0.00 -1.19 -1.27 121.76 124.21 1ptz s ALA 123 Ca 0.25 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.80 1ptz s ALA 123 Cb 0.06 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1ptz s ALA 123 CO 0.13 -0.69 0.60 0.34 0.00 0.00 0.00 175.76 176.14 1ptz s ASP 124 N -1.81 6.59 -0.00 0.00 3.68 -1.26 -3.81 116.67 120.06 1ptz s ASP 124 Ca 0.72 0.71 0.01 0.00 2.13 0.00 0.00 52.55 56.12 1ptz s ASP 124 Cb -0.22 -2.33 0.04 0.00 -1.45 0.00 0.00 42.92 38.96 1ptz s ASP 124 CO 0.26 -0.30 1.01 -0.90 0.13 0.00 0.00 175.17 175.36 1ptz n ASP 125 N 5.34 0.29 -1.84 -0.34 3.85 0.08 -4.87 116.55 119.07 1ptz n ASP 125 Ca -0.02 -2.00 -0.20 0.00 -0.71 0.00 0.00 54.79 51.86 1ptz n ASP 125 Cb 0.49 -0.06 -0.06 0.00 -1.35 0.00 0.00 41.12 40.15 1ptz n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1ptz n LEU 126 N -0.35 -1.56 -0.67 -2.12 4.77 -1.26 -2.62 117.00 113.19 1ptz n LEU 126 Ca 0.01 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1ptz n LEU 126 Cb 0.05 -2.77 -0.04 0.00 -2.33 0.00 0.00 43.42 38.34 1ptz n LEU 126 CO 0.01 -0.77 -0.08 0.61 -1.33 0.00 0.00 177.39 175.83 1ptz n GLY 127 N -0.56 1.00 1.05 -0.72 0.00 -1.25 -3.05 105.19 101.66 1ptz n GLY 127 Ca -0.21 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1ptz n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ptz n LYS 128 N -2.71 2.72 -2.40 1.61 4.76 -1.08 -4.63 118.16 116.43 1ptz n LYS 128 Ca -0.09 -2.37 -0.33 0.00 -2.87 0.00 0.00 58.31 52.64 1ptz n LYS 128 Cb 0.29 -1.44 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1ptz n LYS 128 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1ptz s GLY 129 N -1.03 2.37 -0.24 0.72 0.00 -1.26 -4.93 107.32 102.94 1ptz s GLY 129 Ca 0.38 0.52 -0.06 0.00 0.00 0.00 0.00 44.72 45.56 1ptz s GLY 129 CO 0.26 0.83 3.31 0.61 0.00 0.00 0.00 173.10 178.11 1ptz n GLY 130 N -0.54 3.52 3.40 0.20 0.00 -1.26 -4.79 105.19 105.72 1ptz n GLY 130 Ca 0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 1ptz n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ptz s ASN 131 N 1.46 -0.48 0.31 1.61 2.20 -1.26 -5.06 114.94 113.72 1ptz s ASN 131 Ca 0.64 0.03 0.03 0.00 -0.94 0.00 0.00 52.86 52.62 1ptz s ASN 131 Cb 0.33 0.55 0.51 0.00 -2.00 0.00 0.00 41.25 40.64 1ptz s ASN 131 CO -0.07 -0.87 1.81 -0.08 -2.94 0.00 0.00 177.10 174.95 1ptz h GLU 132 N 2.31 0.54 -0.17 3.55 4.81 -2.01 -2.72 114.58 120.90 1ptz h GLU 132 Ca -0.33 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ptz h GLU 132 Cb 1.27 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1ptz h GLU 132 CO 0.41 0.63 0.11 1.49 -0.73 0.00 0.00 179.01 180.91 1ptz h GLU 133 N 0.51 0.22 -0.98 1.92 4.57 -1.97 -1.30 114.58 117.56 1ptz h GLU 133 Ca 0.10 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1ptz h GLU 133 Cb 0.45 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 1ptz h GLU 133 CO 0.02 0.15 0.64 1.03 -1.18 0.00 0.00 179.01 179.67 1ptz h SER 134 N 0.23 1.13 0.10 1.04 0.87 -1.79 -0.11 113.55 115.02 1ptz h SER 134 Ca 0.06 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1ptz h SER 134 Cb -0.02 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1ptz h SER 134 CO -0.01 0.83 0.00 0.35 -0.53 0.00 0.00 176.83 177.47 1ptz n THR 135 N -4.38 0.05 -0.03 2.23 -2.24 -0.50 -1.71 114.28 107.70 1ptz n THR 135 Ca 0.11 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1ptz n THR 135 Cb 0.02 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 1ptz n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ptz n LYS 136 N -1.07 0.15 0.00 -0.78 5.02 -0.59 0.01 118.16 120.90 1ptz n LYS 136 Ca 0.17 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1ptz n LYS 136 Cb 0.11 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1ptz n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ptz n THR 137 N -3.24 0.00 -1.04 -0.18 -2.24 -0.16 -4.67 114.28 102.76 1ptz n THR 137 Ca -0.13 -0.36 -0.01 0.00 -2.27 0.00 0.00 64.05 61.27 1ptz n THR 137 Cb 0.60 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 70.02 1ptz n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ptz n GLY 138 N 0.19 0.37 2.39 3.38 0.00 -0.70 -2.81 105.19 108.01 1ptz n GLY 138 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1ptz n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ptz n ASN 139 N -0.40 -5.28 0.00 1.61 3.02 -1.25 -0.74 115.26 112.22 1ptz n ASN 139 Ca -0.01 0.09 0.07 0.00 -0.03 0.00 0.00 54.58 54.69 1ptz n ASN 139 Cb 0.26 -4.35 0.31 0.00 -0.61 0.00 0.00 39.78 35.39 1ptz n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ptz n ALA 140 N -1.18 1.67 -0.35 5.41 0.00 -1.13 -4.71 120.51 120.22 1ptz n ALA 140 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ptz n ALA 140 Cb 0.65 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1ptz n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ptz n GLY 141 N -0.07 -0.02 3.63 0.00 0.00 -1.26 -0.93 105.19 106.54 1ptz n GLY 141 Ca 0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1ptz n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ptz s SER 142 N -4.00 2.47 -0.33 1.61 1.04 -1.26 -4.69 113.70 108.55 1ptz s SER 142 Ca 0.00 1.65 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 1ptz s SER 142 Cb 0.00 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 1ptz s SER 142 CO 0.00 -3.29 0.22 -0.13 0.98 0.00 0.00 173.24 171.02 1ptz s ARG 143 N -4.71 3.56 0.01 4.02 0.52 -1.26 -0.60 118.95 120.48 1ptz s ARG 143 Ca 0.66 -0.60 -0.16 0.00 -0.52 0.00 0.00 55.73 55.11 1ptz s ARG 143 Cb -0.21 -3.76 -0.35 0.00 0.52 0.00 0.00 34.95 31.15 1ptz s ARG 143 CO 0.60 -0.40 0.93 -0.07 0.02 0.00 0.00 175.30 176.38 1ptz h LEU 144 N 8.46 0.77 -7.26 2.53 3.38 -1.56 -3.47 115.31 118.16 1ptz h LEU 144 Ca -0.32 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 56.66 1ptz h LEU 144 Cb 1.16 -0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 1ptz h LEU 144 CO 0.62 1.69 -0.00 0.00 0.09 0.00 0.00 178.44 180.84 1ptz s ALA 145 N -2.57 -1.22 0.23 1.53 0.00 -1.18 -4.07 121.76 114.47 1ptz s ALA 145 Ca -0.11 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.10 1ptz s ALA 145 Cb 0.04 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.61 1ptz s ALA 145 CO 0.92 -0.51 0.63 0.00 0.00 0.00 0.00 175.76 176.80 1ptz s GLY 147 N -2.86 -0.44 0.22 0.00 0.00 -0.75 -1.46 107.32 102.02 1ptz s GLY 147 Ca 0.08 1.91 -0.30 0.00 0.00 0.00 0.00 44.72 46.42 1ptz s GLY 147 CO -0.01 1.40 1.15 0.14 0.00 0.00 0.00 173.10 175.78 1ptz s VAL 148 N -0.39 3.57 -0.33 1.40 1.01 -1.26 -1.30 120.40 123.10 1ptz s VAL 148 Ca -0.03 1.41 -0.26 0.00 0.00 0.00 0.00 61.98 63.09 1ptz s VAL 148 Cb -0.03 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1ptz s VAL 148 CO 0.03 0.27 0.94 -0.63 0.00 0.00 0.00 175.10 175.70 1ptz s ILE 149 N -0.47 4.63 0.31 2.22 1.01 0.12 -4.45 121.20 124.57 1ptz s ILE 149 Ca 0.49 1.41 0.10 0.00 0.00 0.00 0.00 60.65 62.66 1ptz s ILE 149 Cb -0.32 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 1ptz s ILE 149 CO 0.38 -0.42 -0.06 -0.83 0.00 0.00 0.00 174.94 174.01 1ptz s GLY 150 N 1.70 1.94 0.08 6.18 0.00 -0.10 -0.15 107.32 116.97 1ptz s GLY 150 Ca 0.39 -1.89 -0.31 0.00 0.00 0.00 0.00 44.72 42.92 1ptz s GLY 150 CO 0.15 -1.90 1.36 -0.42 0.00 0.00 0.00 173.10 172.30 1ptz s ILE 151 N -2.48 3.51 -0.30 0.90 1.01 -1.26 -1.08 121.20 121.49 1ptz s ILE 151 Ca 0.32 1.05 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1ptz s ILE 151 Cb -0.03 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1ptz s ILE 151 CO 0.18 0.06 0.31 0.00 0.00 0.00 0.00 174.94 175.50 1ptz n ALA 152 N 4.25 2.52 -0.27 9.38 0.00 -0.03 -4.84 120.51 131.51 1ptz n ALA 152 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ptz n ALA 152 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1ptz n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44