#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puk s ASN 2 N 0.00 3.81 0.11 7.83 -0.87 -1.26 -4.98 114.94 119.58 2puk s ASN 2 Ca 0.00 -0.29 -0.36 0.00 -1.57 0.00 0.00 52.86 50.64 2puk s ASN 2 Cb 0.00 -0.95 -0.16 0.00 -0.02 0.00 0.00 41.25 40.12 2puk s ASN 2 CO 0.00 0.30 1.34 0.52 -2.57 0.00 0.00 177.10 176.69 2puk n VAL 3 N 2.63 0.12 -2.00 1.60 0.31 -1.26 -3.07 118.33 116.66 2puk n VAL 3 Ca -0.17 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2puk n VAL 3 Cb 0.52 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2puk n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2puk n GLY 4 N 2.54 0.85 3.73 2.92 0.00 0.30 -4.98 105.19 110.55 2puk n GLY 4 Ca 0.18 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 2puk n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2puk s ASP 5 N -2.85 5.41 -0.19 1.61 1.01 -1.18 -4.81 116.67 115.68 2puk s ASP 5 Ca 0.00 0.07 -0.29 0.00 0.71 0.00 0.00 52.55 53.04 2puk s ASP 5 Cb 0.00 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 2puk s ASP 5 CO 0.00 0.27 1.29 -0.13 0.21 0.00 0.00 175.17 176.81 2puk s ARG 6 N -1.67 4.17 0.11 8.23 1.81 -1.26 -1.16 118.95 129.16 2puk s ARG 6 Ca 0.21 1.61 0.07 0.00 -1.72 0.00 0.00 55.73 55.90 2puk s ARG 6 Cb -0.12 -3.80 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 2puk s ARG 6 CO 0.12 -0.80 -0.18 0.14 -0.68 0.00 0.00 175.30 173.90 2puk s VAL 7 N 3.71 1.56 -0.08 3.52 -7.23 0.14 -2.52 120.40 119.51 2puk s VAL 7 Ca 0.56 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2puk s VAL 7 Cb -0.21 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2puk s VAL 7 CO 0.17 -0.17 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.14 2puk s ARG 8 N -2.08 2.86 -0.43 4.82 3.52 0.13 -1.77 118.95 126.01 2puk s ARG 8 Ca 0.06 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 54.88 2puk s ARG 8 Cb -0.09 -2.67 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2puk s ARG 8 CO 0.04 0.65 1.06 0.08 -0.81 0.00 0.00 175.30 176.33 2puk s VAL 9 N -0.77 4.36 -0.52 7.11 1.01 -0.73 -0.63 120.40 130.23 2puk s VAL 9 Ca 0.12 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.41 2puk s VAL 9 Cb -0.11 -4.50 0.36 0.00 0.00 0.00 0.00 36.38 32.13 2puk s VAL 9 CO 0.02 -0.81 0.97 0.35 0.00 0.00 0.00 175.10 175.62 2puk n THR 10 N 6.47 2.55 -3.54 3.92 -2.24 0.89 -0.73 114.28 121.60 2puk n THR 10 Ca 0.10 -5.26 -0.08 0.00 -2.27 0.00 0.00 64.05 56.55 2puk n THR 10 Cb 0.48 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.49 2puk n THR 10 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2puk s SER 11 N -3.39 -0.31 -0.61 3.42 0.01 -1.23 -4.78 113.70 106.81 2puk s SER 11 Ca 0.47 0.08 -0.27 0.00 1.31 0.00 0.00 55.95 57.54 2puk s SER 11 Cb 0.32 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.85 2puk s SER 11 CO -0.14 -0.46 1.70 -0.55 0.41 0.00 0.00 173.24 174.19 2puk s SER 12 N -2.12 5.58 -0.22 2.44 0.15 -1.26 -4.14 113.70 114.12 2puk s SER 12 Ca 0.05 0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.93 2puk s SER 12 Cb -0.01 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2puk s SER 12 CO -0.06 -2.15 -0.07 -0.69 1.20 0.00 0.00 173.24 171.47 2puk s VAL 13 N 7.96 3.06 -0.24 4.45 1.01 -1.26 -5.02 120.40 130.36 2puk s VAL 13 Ca 0.60 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2puk s VAL 13 Cb -0.12 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2puk s VAL 13 CO 0.21 0.37 0.05 -0.69 0.00 0.00 0.00 175.10 175.03 2puk s VAL 14 N 1.41 4.15 0.15 2.92 1.01 -1.26 -0.71 120.40 128.07 2puk s VAL 14 Ca 0.04 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.89 2puk s VAL 14 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2puk s VAL 14 CO -0.05 0.36 -0.21 0.68 0.00 0.00 0.00 175.10 175.89 2puk s VAL 15 N 1.51 2.62 -0.15 2.92 -7.23 -0.18 -4.86 120.40 115.03 2puk s VAL 15 Ca 0.06 -1.73 0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2puk s VAL 15 Cb -0.15 -2.22 0.38 0.00 0.56 0.00 0.00 36.38 34.96 2puk s VAL 15 CO 0.02 0.01 1.26 -1.22 -0.31 0.00 0.00 175.10 174.86 2puk n TYR 16 N 0.57 0.37 -1.17 2.82 4.02 -1.26 -1.08 117.16 121.43 2puk n TYR 16 Ca -0.15 -0.95 0.04 0.00 -0.01 0.00 0.00 57.90 56.83 2puk n TYR 16 Cb 0.54 -0.21 0.06 0.00 -0.02 0.00 0.00 39.34 39.70 2puk n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2puk n HIS 17 N -1.07 0.00 -2.87 -0.72 1.44 -1.26 -2.05 115.22 108.68 2puk n HIS 17 Ca 0.18 -0.48 -0.41 0.00 -2.01 0.00 0.00 57.72 55.00 2puk n HIS 17 Cb 0.74 -0.08 -0.04 0.00 0.12 0.00 0.00 29.99 30.73 2puk n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2puk s HIS 18 N -1.31 3.62 0.29 -1.40 5.04 -1.26 -4.93 115.29 115.34 2puk s HIS 18 Ca 0.13 1.48 0.03 0.00 -1.54 0.00 0.00 55.06 55.15 2puk s HIS 18 Cb 0.11 -2.97 0.60 0.00 0.04 0.00 0.00 32.58 30.37 2puk s HIS 18 CO 0.01 0.03 1.82 -1.00 -2.34 0.00 0.00 174.74 173.27 2puk h PRO 19 N 6.79 0.91 0.00 2.88 0.13 -1.97 0.25 132.00 140.99 2puk h PRO 19 Ca -0.41 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2puk h PRO 19 Cb 1.21 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2puk h PRO 19 CO 0.75 0.60 0.00 0.39 -0.23 0.00 0.00 178.00 179.52 2puk n GLU 20 N -4.65 0.13 -1.84 0.86 -0.58 -1.26 -3.62 120.64 109.68 2puk n GLU 20 Ca 0.20 0.40 0.01 0.00 -0.42 0.00 0.00 57.16 57.35 2puk n GLU 20 Cb 0.41 -1.77 0.02 0.00 -0.57 0.00 0.00 31.44 29.53 2puk n GLU 20 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2puk n HIS 21 N -2.03 0.21 -1.54 -0.32 8.25 0.63 -5.11 115.22 115.31 2puk n HIS 21 Ca 0.02 -0.97 -0.58 0.00 -0.26 0.00 0.00 57.72 55.93 2puk n HIS 21 Cb 0.19 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 2puk n HIS 21 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2puk n LYS 22 N 0.06 0.27 -2.78 -0.41 5.02 0.24 -1.10 118.16 119.47 2puk n LYS 22 Ca 0.01 0.10 -0.21 0.00 -2.02 0.00 0.00 58.31 56.19 2puk n LYS 22 Cb 1.00 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 34.39 2puk n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2puk n LYS 23 N 1.92 -3.46 -3.94 1.97 5.02 -0.87 -4.99 118.16 113.80 2puk n LYS 23 Ca 0.20 0.90 -0.10 0.00 -2.02 0.00 0.00 58.31 57.30 2puk n LYS 23 Cb 0.10 -5.67 -0.12 0.00 -0.02 0.00 0.00 35.03 29.32 2puk n LYS 23 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2puk s THR 24 N -3.08 0.08 0.11 -0.18 2.01 -0.26 -5.07 115.64 109.25 2puk s THR 24 Ca 0.18 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 2puk s THR 24 Cb -0.08 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.12 2puk s THR 24 CO 0.22 -0.36 1.70 0.00 -0.69 0.00 0.00 174.62 175.48 2puk s ALA 25 N -1.07 3.75 -0.07 7.40 0.00 -1.26 -4.14 121.76 126.37 2puk s ALA 25 Ca -0.12 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 2puk s ALA 25 Cb -0.07 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.38 2puk s ALA 25 CO -0.01 -1.06 0.12 0.12 0.00 0.00 0.00 175.76 174.93 2puk s PHE 26 N 2.27 -0.08 0.25 0.00 5.36 -0.24 -4.95 117.98 120.58 2puk s PHE 26 Ca 0.75 0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 56.89 2puk s PHE 26 Cb -0.43 -0.33 -0.09 0.00 -0.34 0.00 0.00 43.02 41.83 2puk s PHE 26 CO 0.33 -0.23 1.04 0.34 -1.46 0.00 0.00 175.22 175.24 2puk s ASP 27 N 2.16 7.40 -0.02 6.13 -1.08 -1.26 -1.01 116.67 128.98 2puk s ASP 27 Ca 0.03 2.13 0.22 0.00 -0.52 0.00 0.00 52.55 54.40 2puk s ASP 27 Cb -0.12 -2.62 -0.32 0.00 -1.46 0.00 0.00 42.92 38.41 2puk s ASP 27 CO -0.05 -0.05 0.55 0.18 0.52 0.00 0.00 175.17 176.33 2puk n LEU 28 N 1.49 0.19 -4.56 -1.34 4.77 0.12 -4.97 117.00 112.69 2puk n LEU 28 Ca -0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 2puk n LEU 28 Cb 0.46 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2puk n LEU 28 CO 0.53 0.05 0.45 1.67 -1.33 0.00 0.00 177.39 178.76 2puk n GLN 29 N -2.11 1.14 -0.25 3.23 7.27 -1.26 -2.27 117.38 123.13 2puk n GLN 29 Ca -0.02 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.45 2puk n GLN 29 Cb 0.52 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.35 2puk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2puk n GLY 30 N 1.35 1.29 3.87 1.69 0.00 0.09 -4.99 105.19 108.49 2puk n GLY 30 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2puk n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2puk s MET 31 N -0.43 3.85 -0.04 1.61 -1.94 -0.96 -4.86 119.30 116.52 2puk s MET 31 Ca 0.00 0.51 0.06 0.00 -1.71 0.00 0.00 55.69 54.55 2puk s MET 31 Cb 0.00 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 2puk s MET 31 CO 0.00 0.05 -0.23 -1.21 -0.01 0.00 0.00 175.02 173.62 2puk s GLU 32 N -3.50 2.21 0.21 2.03 2.02 -1.26 -1.78 118.70 118.64 2puk s GLU 32 Ca 0.52 -0.84 -0.07 0.00 0.02 0.00 0.00 54.97 54.59 2puk s GLU 32 Cb -0.10 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.19 2puk s GLU 32 CO 0.26 0.41 0.42 0.41 0.02 0.00 0.00 175.26 176.78 2puk n GLY 33 N 2.81 1.55 3.64 -1.39 0.00 -0.73 -4.74 105.19 106.33 2puk n GLY 33 Ca -0.17 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2puk n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2puk s GLU 34 N -2.09 2.82 -0.54 1.61 2.02 0.23 -0.68 118.70 122.07 2puk s GLU 34 Ca 0.09 -0.53 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 2puk s GLU 34 Cb -0.02 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 2puk s GLU 34 CO 0.07 0.66 1.60 0.08 0.02 0.00 0.00 175.26 177.69 2puk s VAL 35 N -0.92 3.61 0.03 2.63 1.01 -0.31 -0.00 120.40 126.45 2puk s VAL 35 Ca 0.15 0.50 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 2puk s VAL 35 Cb -0.11 -4.19 -0.26 0.00 0.00 0.00 0.00 36.38 31.82 2puk s VAL 35 CO 0.04 -1.00 1.09 0.00 0.00 0.00 0.00 175.10 175.24 2puk h ALA 36 N 12.41 0.04 -2.32 5.51 0.00 -1.09 0.85 119.26 134.65 2puk h ALA 36 Ca -0.28 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 53.90 2puk h ALA 36 Cb 1.12 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 2puk h ALA 36 CO 1.17 0.52 0.13 0.00 0.00 0.00 0.00 179.25 181.07 2puk s ALA 37 N -3.06 -1.57 -0.51 0.00 0.00 -1.16 -4.74 121.76 110.71 2puk s ALA 37 Ca -0.11 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2puk s ALA 37 Cb 0.04 0.25 0.13 0.00 0.00 0.00 0.00 23.12 23.55 2puk s ALA 37 CO 0.88 -0.46 0.27 0.08 0.00 0.00 0.00 175.76 176.52 2puk s VAL 38 N -1.94 2.86 -0.23 0.00 1.01 -1.26 -1.45 120.40 119.39 2puk s VAL 38 Ca -0.08 -3.01 -0.29 0.00 0.00 0.00 0.00 61.98 58.60 2puk s VAL 38 Cb -0.01 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2puk s VAL 38 CO 0.03 -0.78 1.71 -0.76 0.00 0.00 0.00 175.10 175.30 2puk s LEU 39 N 0.03 3.81 0.00 3.92 1.43 -0.02 -4.73 118.68 123.12 2puk s LEU 39 Ca 0.16 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2puk s LEU 39 Cb -0.23 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2puk s LEU 39 CO -0.02 -1.38 0.00 0.35 0.23 0.00 0.00 176.35 175.52 2puk n THR 40 N 6.66 0.00 -3.87 5.49 -2.24 -1.26 -4.59 114.28 114.46 2puk n THR 40 Ca 0.20 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.87 2puk n THR 40 Cb 0.45 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.47 2puk n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2puk s GLU 41 N -1.10 0.10 -0.23 -0.78 2.02 -1.26 -0.69 118.70 116.76 2puk s GLU 41 Ca 0.00 -0.06 -0.05 0.00 0.02 0.00 0.00 54.97 54.88 2puk s GLU 41 Cb 0.00 0.04 -0.02 0.00 0.10 0.00 0.00 34.13 34.26 2puk s GLU 41 CO 0.00 -0.02 -0.00 -0.46 0.02 0.00 0.00 175.26 174.80 2puk s TRP 42 N -0.24 3.01 -1.52 1.61 -0.11 0.11 -4.70 118.94 117.09 2puk s TRP 42 Ca -0.03 -0.75 -0.13 0.00 1.22 0.00 0.00 56.10 56.41 2puk s TRP 42 Cb -0.02 -2.16 0.08 0.00 -1.50 0.00 0.00 33.47 29.87 2puk s TRP 42 CO -0.00 -0.48 0.99 1.04 -4.62 0.00 0.00 176.95 173.88 2puk n GLN 43 N 4.85 -5.69 -0.96 5.86 6.02 -1.26 -0.62 117.38 125.58 2puk n GLN 43 Ca -0.17 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 2puk n GLN 43 Cb 0.51 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.24 2puk n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2puk n GLY 44 N -1.71 0.59 3.69 1.08 0.00 -1.26 -5.02 105.19 102.56 2puk n GLY 44 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2puk n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2puk s ARG 45 N -0.30 3.16 0.24 1.61 0.52 0.21 -5.06 118.95 119.33 2puk s ARG 45 Ca 0.00 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 2puk s ARG 45 Cb 0.00 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 2puk s ARG 45 CO 0.00 0.65 1.12 -2.14 0.02 0.00 0.00 175.30 174.95 2puk s PRO 46 N -0.72 4.59 0.14 3.54 0.02 -1.26 -0.71 135.00 140.59 2puk s PRO 46 Ca 0.12 1.81 0.10 0.00 0.02 0.00 0.00 61.00 63.05 2puk s PRO 46 Cb -0.12 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 2puk s PRO 46 CO 0.02 0.12 -0.24 0.42 -0.33 0.00 0.00 177.00 176.99 2puk s ILE 47 N -0.77 2.09 -0.25 2.83 1.09 0.14 -4.87 121.20 121.46 2puk s ILE 47 Ca 0.47 -1.78 0.13 0.00 -1.10 0.00 0.00 60.65 58.38 2puk s ILE 47 Cb -0.32 -1.89 0.79 0.00 -1.06 0.00 0.00 42.46 39.98 2puk s ILE 47 CO 0.39 -0.03 1.74 -1.54 -0.10 0.00 0.00 174.94 175.40 2puk n SER 48 N 0.76 5.43 -4.67 3.58 3.41 -1.26 -4.82 113.62 116.05 2puk n SER 48 Ca -0.17 -3.01 -0.45 0.00 -0.26 0.00 0.00 58.87 54.99 2puk n SER 48 Cb 0.54 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 2puk n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2puk n ALA 49 N 0.37 1.30 1.37 7.33 0.00 -1.26 -4.87 120.51 124.75 2puk n ALA 49 Ca 0.30 0.23 0.13 0.00 0.00 0.00 0.00 53.44 54.10 2puk n ALA 49 Cb 1.22 -2.61 0.45 0.00 0.00 0.00 0.00 19.45 18.50 2puk n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2puk n ASN 50 N 7.27 1.75 -3.57 0.00 6.94 -1.26 -4.16 115.26 122.22 2puk n ASN 50 Ca 0.21 -1.60 -0.27 0.00 -0.02 0.00 0.00 54.58 52.90 2puk n ASN 50 Cb 0.36 -0.02 -0.10 0.00 -2.36 0.00 0.00 39.78 37.66 2puk n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2puk n LEU 51 N 0.37 1.24 0.15 -4.53 4.77 -1.26 -4.61 117.00 113.13 2puk n LEU 51 Ca 0.18 -4.80 0.02 0.00 -0.03 0.00 0.00 56.01 51.37 2puk n LEU 51 Cb 0.39 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 41.65 2puk n LEU 51 CO 0.16 1.85 0.55 1.55 -1.33 0.00 0.00 177.39 180.17 2puk h PRO 52 N 5.29 0.00 -5.39 3.23 0.13 -1.64 -3.37 132.00 130.25 2puk h PRO 52 Ca 0.20 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.69 2puk h PRO 52 Cb 0.83 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.81 2puk h PRO 52 CO 0.55 0.53 0.42 0.08 -0.23 0.00 0.00 178.00 179.34 2puk s VAL 53 N -3.51 4.49 -0.19 1.56 1.01 -0.22 -0.84 120.40 122.69 2puk s VAL 53 Ca -0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2puk s VAL 53 Cb 0.11 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2puk s VAL 53 CO 0.73 -1.22 0.65 -0.22 0.00 0.00 0.00 175.10 175.05 2puk s LEU 54 N 3.64 4.15 -0.18 3.92 2.96 -0.53 0.27 118.68 132.91 2puk s LEU 54 Ca 0.22 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 2puk s LEU 54 Cb -0.17 -2.93 0.01 0.00 0.50 0.00 0.00 46.19 43.60 2puk s LEU 54 CO 0.12 -0.29 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.02 2puk s VAL 55 N 1.95 2.52 -0.15 1.68 1.01 -0.44 -0.42 120.40 126.54 2puk s VAL 55 Ca 0.30 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 2puk s VAL 55 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2puk s VAL 55 CO 0.11 0.51 0.65 -0.75 0.00 0.00 0.00 175.10 175.61 2puk s LYS 56 N 1.18 4.29 0.00 2.72 2.20 0.99 -2.21 119.74 128.91 2puk s LYS 56 Ca 0.02 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.33 2puk s LYS 56 Cb -0.14 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2puk s LYS 56 CO -0.07 -0.13 0.00 1.19 -0.36 0.00 0.00 175.35 175.99 2puk n PHE 57 N 4.60 0.00 -2.19 4.03 3.01 0.43 -0.60 117.46 126.74 2puk n PHE 57 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 2puk n PHE 57 Cb 0.50 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 2puk n PHE 57 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2puk s GLU 58 N 2.78 3.29 -1.22 -1.08 2.02 -1.26 -4.00 118.70 119.23 2puk s GLU 58 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.38 2puk s GLU 58 Cb 0.00 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2puk s GLU 58 CO 0.00 -0.59 0.00 1.04 0.02 0.00 0.00 175.26 175.73 2puk n GLN 59 N -2.64 -0.85 -1.12 1.61 6.02 -1.26 -2.52 117.38 116.62 2puk n GLN 59 Ca 0.04 0.86 -0.08 0.00 -0.01 0.00 0.00 57.00 57.82 2puk n GLN 59 Cb 0.56 -4.89 -0.03 0.00 1.02 0.00 0.00 30.24 26.89 2puk n GLN 59 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2puk n ARG 60 N -2.57 -1.74 -2.31 -1.09 1.74 -1.26 -4.94 116.66 104.49 2puk n ARG 60 Ca -0.12 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.22 2puk n ARG 60 Cb 0.43 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 26.92 2puk n ARG 60 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2puk s PHE 61 N -1.54 3.24 0.10 -1.55 5.36 -1.05 -4.88 117.98 117.65 2puk s PHE 61 Ca 0.00 1.10 0.04 0.00 -0.96 0.00 0.00 56.93 57.11 2puk s PHE 61 Cb 0.00 -3.54 -0.03 0.00 -0.34 0.00 0.00 43.02 39.10 2puk s PHE 61 CO 0.00 -1.83 -0.11 -1.59 -1.46 0.00 0.00 175.22 170.23 2puk s LYS 62 N 1.46 0.86 0.00 10.12 -2.85 -1.26 -0.42 119.74 127.65 2puk s LYS 62 Ca 0.61 -1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 54.37 2puk s LYS 62 Cb -0.31 -0.63 0.00 0.00 -2.06 0.00 0.00 37.83 34.83 2puk s LYS 62 CO 0.28 0.11 0.16 0.00 0.10 0.00 0.00 175.35 176.00 2puk s ALA 63 N -2.18 -0.37 0.11 0.59 0.00 -0.94 -5.00 121.76 113.97 2puk s ALA 63 Ca 0.04 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2puk s ALA 63 Cb -0.05 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 2puk s ALA 63 CO 0.01 -0.22 0.51 -1.01 0.00 0.00 0.00 175.76 175.05 2puk s HIS 64 N -1.46 3.65 0.06 0.00 3.76 -1.26 -1.33 115.29 118.70 2puk s HIS 64 Ca -0.14 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.81 2puk s HIS 64 Cb -0.07 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 2puk s HIS 64 CO 0.02 0.49 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.29 2puk s PHE 65 N -1.36 0.62 0.41 1.40 0.40 0.14 -4.97 117.98 114.62 2puk s PHE 65 Ca 0.34 -0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 55.53 2puk s PHE 65 Cb -0.16 -0.41 -0.11 0.00 0.51 0.00 0.00 43.02 42.86 2puk s PHE 65 CO 0.18 -0.27 0.92 1.03 0.70 0.00 0.00 175.22 177.78 2puk s ARG 66 N -3.51 4.22 0.38 0.44 0.52 -1.26 -1.06 118.95 118.67 2puk s ARG 66 Ca 0.05 1.07 0.10 0.00 -0.52 0.00 0.00 55.73 56.44 2puk s ARG 66 Cb 0.04 -2.25 0.87 0.00 0.52 0.00 0.00 34.95 34.14 2puk s ARG 66 CO -0.07 0.01 1.89 -1.35 0.02 0.00 0.00 175.30 175.81 2puk h PRO 67 N 2.02 0.61 0.00 3.54 0.11 -1.93 -1.86 132.00 134.50 2puk h PRO 67 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2puk h PRO 67 Cb 1.18 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2puk h PRO 67 CO 0.62 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.41 2puk n ASP 68 N -4.53 0.58 0.10 -2.05 5.68 -1.26 -2.66 116.55 112.41 2puk n ASP 68 Ca 0.16 0.63 0.12 0.00 -0.50 0.00 0.00 54.79 55.20 2puk n ASP 68 Cb 0.46 -0.76 0.14 0.00 -1.14 0.00 0.00 41.12 39.82 2puk n ASP 68 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2puk h GLU 69 N 0.00 0.00 -6.25 0.11 5.08 -1.65 -3.47 114.58 108.40 2puk h GLU 69 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2puk h GLU 69 Cb 0.38 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.39 2puk h GLU 69 CO 0.00 0.00 -0.84 0.14 -1.00 0.00 0.00 179.01 177.31 2puk s VAL 70 N -3.23 1.78 0.01 3.13 -7.23 -1.09 -0.07 120.40 113.70 2puk s VAL 70 Ca 0.05 -1.42 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 2puk s VAL 70 Cb 0.11 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 2puk s VAL 70 CO 0.72 0.09 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.53 2puk s THR 71 N -0.99 1.38 1.12 5.32 2.01 0.20 -4.91 115.64 119.76 2puk s THR 71 Ca 0.08 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 2puk s THR 71 Cb -0.10 -1.18 0.26 0.00 0.01 0.00 0.00 72.50 71.49 2puk s THR 71 CO 0.03 0.27 1.05 -0.76 -0.69 0.00 0.00 174.62 174.52 2puk s LEU 72 N -0.73 1.15 0.00 4.42 1.43 -1.26 0.23 118.68 123.91 2puk s LEU 72 Ca 0.06 1.56 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 2puk s LEU 72 Cb -0.07 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.63 2puk s LEU 72 CO 0.00 -3.96 0.65 -0.38 0.23 0.00 0.00 176.35 172.90