#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 0.25 -0.08 7.83 -0.87 -1.26 -5.05 114.94 115.76 2puk s ASN 2 Ca 0.00 -0.45 -0.29 0.00 -1.57 0.00 0.00 52.86 50.55 2puk s ASN 2 Cb 0.00 0.09 -0.07 0.00 -0.02 0.00 0.00 41.25 41.24 2puk s ASN 2 CO 0.00 -0.26 2.09 0.52 -2.57 0.00 0.00 177.10 176.88 2puk n VAL 3 N 1.75 0.58 0.00 1.60 0.31 -1.26 -2.01 118.33 119.29 2puk n VAL 3 Ca -0.23 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2puk n VAL 3 Cb 0.55 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.05 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 5.12 1.74 3.65 2.92 0.00 -0.73 -4.98 105.19 112.91 2puk n GLY 4 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.94 6.58 -0.61 1.61 1.11 -0.85 -4.62 116.67 117.94 2puk s ASP 5 Ca 0.00 2.16 -0.26 0.00 0.18 0.00 0.00 52.55 54.63 2puk s ASP 5 Cb 0.00 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 2puk s ASP 5 CO 0.00 -1.01 1.96 -0.13 1.18 0.00 0.00 175.17 177.17 2puk s ARG 6 N 4.22 2.53 0.33 8.23 1.81 -1.26 -2.03 118.95 132.77 2puk s ARG 6 Ca 0.75 0.68 0.07 0.00 -1.72 0.00 0.00 55.73 55.50 2puk s ARG 6 Cb -0.33 -4.46 -0.02 0.00 -0.45 0.00 0.00 34.95 29.69 2puk s ARG 6 CO 0.30 -2.88 0.35 0.14 -0.68 0.00 0.00 175.30 172.53 2puk s VAL 7 N 9.70 3.85 -0.05 3.52 -7.23 0.17 -1.32 120.40 129.04 2puk s VAL 7 Ca 0.72 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.66 2puk s VAL 7 Cb -0.13 -3.31 0.03 0.00 0.56 0.00 0.00 36.38 33.53 2puk s VAL 7 CO 0.20 -0.19 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.20 2puk s ARG 8 N -4.05 0.52 -0.16 4.82 3.52 0.10 -1.08 118.95 122.63 2puk s ARG 8 Ca 0.41 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.79 2puk s ARG 8 Cb -0.07 -0.75 -0.06 0.00 -1.56 0.00 0.00 34.95 32.51 2puk s ARG 8 CO 0.28 -0.20 2.08 0.08 -0.81 0.00 0.00 175.30 176.73 2puk s VAL 9 N 1.42 3.09 -1.39 7.11 1.01 -0.40 -1.58 120.40 129.66 2puk s VAL 9 Ca -0.04 0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.22 2puk s VAL 9 Cb -0.13 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2puk s VAL 9 CO -0.03 -0.05 0.85 0.35 0.00 0.00 0.00 175.10 176.22 2puk n THR 10 N 7.03 0.00 -4.45 3.92 -2.24 -0.90 -2.09 114.28 115.55 2puk n THR 10 Ca 0.26 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 2puk n THR 10 Cb 0.44 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.14 2.50 -0.26 3.42 0.01 -1.23 -4.99 113.70 111.00 2puk s SER 11 Ca 0.12 -1.34 -0.29 0.00 1.31 0.00 0.00 55.95 55.75 2puk s SER 11 Cb 0.14 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 2puk s SER 11 CO 0.50 -0.55 1.59 -0.55 0.41 0.00 0.00 173.24 174.64 2puk s SER 12 N -3.49 6.33 -0.13 2.44 0.15 -1.26 -4.19 113.70 113.55 2puk s SER 12 Ca 0.35 1.45 -0.01 0.00 0.70 0.00 0.00 55.95 58.44 2puk s SER 12 Cb 0.08 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2puk s SER 12 CO 0.15 -1.33 -0.02 -0.69 1.20 0.00 0.00 173.24 172.55 2puk s VAL 13 N 5.41 0.72 -0.33 4.45 1.01 -1.26 -5.02 120.40 125.38 2puk s VAL 13 Ca 0.70 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 2puk s VAL 13 Cb -0.23 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 2puk s VAL 13 CO 0.30 0.13 0.17 -0.69 0.00 0.00 0.00 175.10 175.00 2puk s VAL 14 N 1.81 4.68 0.29 2.92 1.01 -1.26 -1.37 120.40 128.49 2puk s VAL 14 Ca 0.02 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2puk s VAL 14 Cb -0.14 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2puk s VAL 14 CO -0.07 0.01 -0.11 0.68 0.00 0.00 0.00 175.10 175.60 2puk s VAL 15 N 1.62 2.06 -0.00 2.92 -7.23 -0.61 -4.92 120.40 114.24 2puk s VAL 15 Ca 0.04 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 57.99 2puk s VAL 15 Cb -0.17 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2puk s VAL 15 CO 0.07 -0.32 0.01 -1.22 -0.31 0.00 0.00 175.10 173.33 2puk n TYR 16 N -0.64 0.00 1.99 2.82 4.02 -1.26 -1.86 117.16 122.23 2puk n TYR 16 Ca -0.05 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.97 2puk n TYR 16 Cb 0.62 -0.02 0.80 0.00 -0.02 0.00 0.00 39.34 40.72 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 -1.70 0.00 -1.83 -0.72 1.44 -1.26 -1.64 115.22 109.52 2puk n HIS 17 Ca -0.00 -0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.29 2puk n HIS 17 Cb 0.19 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.30 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 -2.00 2.65 0.34 -1.40 5.04 -1.26 -4.91 115.29 113.75 2puk s HIS 18 Ca 0.41 1.14 0.09 0.00 -1.54 0.00 0.00 55.06 55.16 2puk s HIS 18 Cb 0.19 -4.00 0.61 0.00 0.04 0.00 0.00 32.58 29.42 2puk s HIS 18 CO 0.31 -2.97 1.78 -1.00 -2.34 0.00 0.00 174.74 170.53 2puk h PRO 19 N 3.27 0.14 0.00 2.88 0.13 -1.93 -2.41 132.00 134.09 2puk h PRO 19 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2puk h PRO 19 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2puk h PRO 19 CO 0.66 0.48 -0.21 0.93 -0.23 0.00 0.00 178.00 179.63 2puk h GLU 20 N 0.12 0.00 -1.39 0.86 4.39 -1.98 -3.38 114.58 113.20 2puk h GLU 20 Ca 0.01 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.31 2puk h GLU 20 Cb 0.69 0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 28.97 2puk h GLU 20 CO 0.05 0.00 -1.08 0.72 -1.16 0.00 0.00 179.01 177.54 2puk n HIS 21 N -2.31 0.03 -1.94 4.33 8.25 -1.11 -5.12 115.22 117.34 2puk n HIS 21 Ca 0.05 -3.23 -0.41 0.00 -0.26 0.00 0.00 57.72 53.86 2puk n HIS 21 Cb 0.45 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 2puk n HIS 21 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2puk s LYS 22 N -2.23 4.22 -1.40 -0.41 1.02 -0.92 -2.96 119.74 117.06 2puk s LYS 22 Ca 0.33 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.72 2puk s LYS 22 Cb 0.38 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2puk s LYS 22 CO -0.04 -0.45 0.00 1.63 -0.92 0.00 0.00 175.35 175.57 2puk n LYS 23 N 1.76 -1.69 -4.01 1.68 5.02 -0.65 -4.96 118.16 115.30 2puk n LYS 23 Ca 0.05 0.78 -0.11 0.00 -2.02 0.00 0.00 58.31 57.02 2puk n LYS 23 Cb 0.40 -5.22 -0.11 0.00 -0.02 0.00 0.00 35.03 30.07 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 -2.47 0.29 -0.31 -0.18 2.01 -1.16 -5.06 115.64 108.76 2puk s THR 24 Ca 0.00 -0.93 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 2puk s THR 24 Cb 0.00 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 2puk s THR 24 CO 0.00 -0.42 1.83 0.00 -0.69 0.00 0.00 174.62 175.34 2puk s ALA 25 N -1.35 2.88 -0.06 7.40 0.00 -1.26 -4.36 121.76 125.01 2puk s ALA 25 Ca -0.13 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2puk s ALA 25 Cb -0.10 -4.01 0.01 0.00 0.00 0.00 0.00 23.12 19.03 2puk s ALA 25 CO -0.00 -2.60 -0.11 0.12 0.00 0.00 0.00 175.76 173.16 2puk s PHE 26 N 6.92 1.34 -0.17 0.00 5.36 -0.77 -4.98 117.98 125.68 2puk s PHE 26 Ca 0.82 -0.49 -0.21 0.00 -0.96 0.00 0.00 56.93 56.09 2puk s PHE 26 Cb -0.24 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 2puk s PHE 26 CO 0.34 -0.27 0.62 0.34 -1.46 0.00 0.00 175.22 174.80 2puk s ASP 27 N 0.73 6.73 0.18 6.13 -1.08 -1.26 -1.57 116.67 126.53 2puk s ASP 27 Ca -0.14 0.88 0.06 0.00 -0.52 0.00 0.00 52.55 52.84 2puk s ASP 27 Cb -0.15 -2.35 0.03 0.00 -1.46 0.00 0.00 42.92 38.98 2puk s ASP 27 CO 0.03 -0.22 1.41 -0.07 0.52 0.00 0.00 175.17 176.84 2puk h LEU 28 N 7.85 0.09 -5.04 -1.34 3.38 -1.57 -3.47 115.31 115.21 2puk h LEU 28 Ca -0.34 -0.08 -0.49 0.00 0.09 0.00 0.00 57.88 57.07 2puk h LEU 28 Cb 1.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2puk h LEU 28 CO 0.77 0.89 0.59 1.67 0.09 0.00 0.00 178.44 182.45 2puk n GLN 29 N -3.59 0.00 0.00 1.13 7.27 -1.26 -2.39 117.38 118.53 2puk n GLN 29 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2puk n GLN 29 Cb 0.80 -0.89 0.00 0.00 2.41 0.00 0.00 30.24 32.56 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 3.38 1.30 3.68 1.69 0.00 -0.89 -5.05 105.19 109.31 2puk n GLY 30 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.04 2.44 0.10 1.61 -1.94 -1.01 -4.96 119.30 115.51 2puk s MET 31 Ca 0.00 -1.12 0.07 0.00 -1.71 0.00 0.00 55.69 52.93 2puk s MET 31 Cb 0.00 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 2puk s MET 31 CO 0.00 0.44 -0.18 -1.21 -0.01 0.00 0.00 175.02 174.07 2puk s GLU 32 N -3.07 1.04 -0.07 2.03 2.02 -1.26 -1.27 118.70 118.11 2puk s GLU 32 Ca 0.28 -1.13 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2puk s GLU 32 Cb -0.09 -1.16 0.10 0.00 0.10 0.00 0.00 34.13 33.09 2puk s GLU 32 CO 0.19 0.26 1.35 0.20 0.02 0.00 0.00 175.26 177.28 2puk s GLY 33 N -2.00 -0.22 0.27 -1.39 0.00 -0.24 -4.77 107.32 98.97 2puk s GLY 33 Ca 0.05 0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.90 2puk s GLY 33 CO 0.04 5.78 0.58 -0.54 0.00 0.00 0.00 173.10 178.97 2puk s GLU 34 N -2.02 3.76 -0.45 2.90 2.02 -1.12 0.41 118.70 124.20 2puk s GLU 34 Ca 0.30 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 2puk s GLU 34 Cb 0.01 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.65 2puk s GLU 34 CO -0.03 0.24 1.21 0.08 0.02 0.00 0.00 175.26 176.78 2puk s VAL 35 N -1.96 4.15 0.07 2.63 1.01 -0.86 -1.47 120.40 123.96 2puk s VAL 35 Ca 0.47 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 2puk s VAL 35 Cb -0.11 -4.48 -0.24 0.00 0.00 0.00 0.00 36.38 31.55 2puk s VAL 35 CO 0.25 -0.90 1.18 0.00 0.00 0.00 0.00 175.10 175.63 2puk h ALA 36 N 9.52 0.12 -2.94 5.51 0.00 0.03 -1.95 119.26 129.55 2puk h ALA 36 Ca -0.24 -0.71 0.02 0.00 0.00 0.00 0.00 54.91 53.97 2puk h ALA 36 Cb 1.07 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 2puk h ALA 36 CO 1.11 0.70 0.24 0.00 0.00 0.00 0.00 179.25 181.29 2puk s ALA 37 N -3.25 -1.51 -0.32 0.00 0.00 -1.14 -4.90 121.76 110.65 2puk s ALA 37 Ca -0.09 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.16 2puk s ALA 37 Cb 0.07 0.85 0.10 0.00 0.00 0.00 0.00 23.12 24.13 2puk s ALA 37 CO 0.92 -0.85 0.06 0.08 0.00 0.00 0.00 175.76 175.98 2puk s VAL 38 N -3.75 1.55 -0.91 0.00 1.01 -1.25 -0.37 120.40 116.68 2puk s VAL 38 Ca 0.04 -1.79 -0.24 0.00 0.00 0.00 0.00 61.98 59.99 2puk s VAL 38 Cb -0.02 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 2puk s VAL 38 CO -0.07 -0.59 1.77 -0.76 0.00 0.00 0.00 175.10 175.45 2puk s LEU 39 N 1.28 3.27 -0.01 3.92 1.43 0.88 -4.54 118.68 124.92 2puk s LEU 39 Ca 0.09 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 2puk s LEU 39 Cb -0.18 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2puk s LEU 39 CO -0.16 -2.31 0.01 0.35 0.23 0.00 0.00 176.35 174.47 2puk n THR 40 N 7.47 0.07 -4.32 5.49 -2.24 -1.26 -4.59 114.28 114.90 2puk n THR 40 Ca 0.35 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.89 2puk n THR 40 Cb 0.49 -0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.05 0.81 -0.25 -0.78 0.41 -1.26 -0.89 118.70 114.69 2puk s GLU 41 Ca -0.01 -0.62 -0.02 0.00 -0.41 0.00 0.00 54.97 53.92 2puk s GLU 41 Cb 0.01 -0.77 0.03 0.00 -1.78 0.00 0.00 34.13 31.61 2puk s GLU 41 CO 0.06 0.19 -0.05 -0.46 -0.49 0.00 0.00 175.26 174.51 2puk s TRP 42 N -0.72 3.09 -1.39 1.61 -0.11 -0.18 -4.79 118.94 116.46 2puk s TRP 42 Ca 0.01 -1.56 -0.01 0.00 1.22 0.00 0.00 56.10 55.76 2puk s TRP 42 Cb -0.07 -2.07 -0.00 0.00 -1.50 0.00 0.00 33.47 29.83 2puk s TRP 42 CO 0.01 -0.73 0.45 1.04 -4.62 0.00 0.00 176.95 173.10 2puk n GLN 43 N 4.67 -3.28 -1.71 5.86 6.02 -1.26 -0.67 117.38 127.01 2puk n GLN 43 Ca -0.16 0.42 -0.18 0.00 -0.01 0.00 0.00 57.00 57.07 2puk n GLN 43 Cb 0.47 -4.54 -0.06 0.00 1.02 0.00 0.00 30.24 27.13 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 -1.95 1.26 3.46 1.08 0.00 -1.26 -5.00 105.19 102.78 2puk n GLY 44 Ca -0.30 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.84 2.28 0.11 1.61 0.52 0.15 -5.08 118.95 114.70 2puk s ARG 45 Ca 0.00 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.06 2puk s ARG 45 Cb 0.00 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 2puk s ARG 45 CO 0.00 0.58 1.47 -1.25 0.02 0.00 0.00 175.30 176.12 2puk s PRO 46 N -1.07 4.27 0.07 3.54 0.04 -1.26 -1.01 135.00 139.58 2puk s PRO 46 Ca 0.13 2.17 0.07 0.00 0.04 0.00 0.00 61.00 63.41 2puk s PRO 46 Cb -0.11 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2puk s PRO 46 CO 0.03 -0.54 -0.17 0.42 0.04 0.00 0.00 177.00 176.78 2puk s ILE 47 N 1.50 2.89 -0.61 0.56 1.09 -0.07 -4.85 121.20 121.71 2puk s ILE 47 Ca 0.67 -1.27 0.15 0.00 -1.10 0.00 0.00 60.65 59.10 2puk s ILE 47 Cb -0.38 -2.27 0.56 0.00 -1.06 0.00 0.00 42.46 39.32 2puk s ILE 47 CO 0.30 0.25 1.48 -1.54 -0.10 0.00 0.00 174.94 175.33 2puk n SER 48 N 1.24 4.12 -4.61 3.58 3.41 -1.26 -4.75 113.62 115.35 2puk n SER 48 Ca -0.16 -2.62 -0.46 0.00 -0.26 0.00 0.00 58.87 55.37 2puk n SER 48 Cb 0.52 -0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.29 -0.08 -0.31 7.33 0.00 -1.26 -4.89 120.51 121.59 2puk n ALA 49 Ca 0.21 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.18 2puk n ALA 49 Cb 0.82 -2.08 0.31 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 1.61 3.91 -3.12 0.00 6.94 -1.26 -4.40 115.26 118.94 2puk n ASN 50 Ca 0.11 -2.00 -0.17 0.00 -0.02 0.00 0.00 54.58 52.51 2puk n ASN 50 Cb 0.30 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.23 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 1.63 0.93 0.23 -4.53 4.77 -1.26 -4.59 117.00 114.18 2puk n LEU 51 Ca 0.24 -4.85 0.10 0.00 -0.03 0.00 0.00 56.01 51.47 2puk n LEU 51 Cb 0.62 0.68 0.54 0.00 -2.33 0.00 0.00 43.42 42.92 2puk n LEU 51 CO 0.17 2.20 0.84 1.55 -1.33 0.00 0.00 177.39 180.82 2puk h PRO 52 N 3.00 0.00 -6.51 3.23 0.13 -1.73 -3.27 132.00 126.85 2puk h PRO 52 Ca 0.07 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.65 2puk h PRO 52 Cb 0.99 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.05 2puk h PRO 52 CO 0.50 0.22 0.94 0.08 -0.23 0.00 0.00 178.00 179.51 2puk s VAL 53 N -3.91 4.06 -0.23 1.56 1.01 -1.11 -0.08 120.40 121.69 2puk s VAL 53 Ca -0.01 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.60 2puk s VAL 53 Cb 0.12 -4.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2puk s VAL 53 CO 0.63 -1.31 0.69 -0.22 0.00 0.00 0.00 175.10 174.89 2puk s LEU 54 N 4.84 4.09 -0.15 3.92 2.96 0.50 -1.62 118.68 133.22 2puk s LEU 54 Ca 0.42 0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2puk s LEU 54 Cb -0.08 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 2puk s LEU 54 CO 0.25 -0.38 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 2puk s VAL 55 N 2.42 2.99 -0.12 1.68 1.01 -0.65 0.79 120.40 128.53 2puk s VAL 55 Ca 0.29 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2puk s VAL 55 Cb -0.16 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2puk s VAL 55 CO 0.09 0.51 0.21 -0.75 0.00 0.00 0.00 175.10 175.16 2puk s LYS 56 N 0.66 3.80 0.00 2.72 2.20 -0.54 -1.79 119.74 126.79 2puk s LYS 56 Ca -0.06 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 2puk s LYS 56 Cb -0.15 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2puk s LYS 56 CO 0.02 0.59 0.00 1.19 -0.36 0.00 0.00 175.35 176.79 2puk n PHE 57 N 2.49 -0.02 -1.09 4.03 3.01 0.81 -2.77 117.46 123.92 2puk n PHE 57 Ca -0.17 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.00 2puk n PHE 57 Cb 0.53 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.21 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 0.29 -0.27 -1.50 -1.08 2.02 -1.26 -3.88 118.70 113.02 2puk s GLU 58 Ca 0.00 0.33 -0.00 0.00 0.02 0.00 0.00 54.97 55.31 2puk s GLU 58 Cb 0.00 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.56 2puk s GLU 58 CO 0.00 -3.16 0.04 1.04 0.02 0.00 0.00 175.26 173.20 2puk n GLN 59 N -4.44 -2.08 -3.53 1.61 6.02 -1.26 -2.13 117.38 111.58 2puk n GLN 59 Ca 0.07 0.84 -0.24 0.00 -0.01 0.00 0.00 57.00 57.67 2puk n GLN 59 Cb 0.58 -5.50 0.05 0.00 1.02 0.00 0.00 30.24 26.39 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 -3.00 -2.17 -4.18 -1.09 1.74 -1.26 -4.96 116.66 101.73 2puk n ARG 60 Ca -0.20 0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 57.19 2puk n ARG 60 Cb 0.65 -4.91 -0.16 0.00 -1.02 0.00 0.00 32.46 27.02 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 -3.47 2.59 -0.02 -1.55 5.36 -0.90 -5.01 117.98 114.98 2puk s PHE 61 Ca 0.40 -1.48 0.03 0.00 -0.96 0.00 0.00 56.93 54.92 2puk s PHE 61 Cb -0.10 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2puk s PHE 61 CO 0.81 -0.74 -0.09 0.15 -1.46 0.00 0.00 175.22 173.89 2puk s LYS 62 N 1.26 2.53 -0.13 10.12 1.02 -1.26 -0.13 119.74 133.15 2puk s LYS 62 Ca 0.03 -0.70 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 2puk s LYS 62 Cb -0.13 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2puk s LYS 62 CO -0.11 0.61 0.34 0.00 -0.92 0.00 0.00 175.35 175.28 2puk s ALA 63 N -0.89 -0.85 0.06 5.17 0.00 -0.74 -5.00 121.76 119.51 2puk s ALA 63 Ca 0.15 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 53.08 2puk s ALA 63 Cb -0.11 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 2puk s ALA 63 CO 0.04 -0.19 0.43 -1.01 0.00 0.00 0.00 175.76 175.03 2puk s HIS 64 N 0.63 3.65 0.12 0.00 3.76 -1.26 -1.63 115.29 120.56 2puk s HIS 64 Ca -0.04 0.92 0.01 0.00 -0.15 0.00 0.00 55.06 55.80 2puk s HIS 64 Cb -0.05 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 2puk s HIS 64 CO -0.04 0.55 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.33 2puk s PHE 65 N -1.28 0.90 0.75 1.40 0.40 -0.64 -5.00 117.98 114.51 2puk s PHE 65 Ca 0.30 -1.04 -0.11 0.00 -0.60 0.00 0.00 56.93 55.48 2puk s PHE 65 Cb -0.15 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 42.88 2puk s PHE 65 CO 0.16 -0.29 1.08 1.03 0.70 0.00 0.00 175.22 177.90 2puk s ARG 66 N -3.92 2.47 0.27 0.44 0.52 -1.26 -2.75 118.95 114.71 2puk s ARG 66 Ca 0.17 1.03 -0.04 0.00 -0.52 0.00 0.00 55.73 56.37 2puk s ARG 66 Cb 0.07 -1.93 0.33 0.00 0.52 0.00 0.00 34.95 33.93 2puk s ARG 66 CO -0.02 -1.45 1.90 -1.35 0.02 0.00 0.00 175.30 174.40 2puk h PRO 67 N -0.98 1.14 -0.84 3.54 0.11 -1.96 -2.92 132.00 130.08 2puk h PRO 67 Ca -0.44 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2puk h PRO 67 Cb 1.23 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2puk h PRO 67 CO 0.54 0.82 0.00 -0.40 -0.21 0.00 0.00 178.00 178.75 2puk n ASP 68 N -4.36 2.77 -0.50 -2.05 5.68 -1.26 -3.32 116.55 113.51 2puk n ASP 68 Ca 0.09 -2.35 0.07 0.00 -0.50 0.00 0.00 54.79 52.11 2puk n ASP 68 Cb 0.08 -0.57 0.04 0.00 -1.14 0.00 0.00 41.12 39.53 2puk n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2puk n GLU 69 N 0.23 1.39 -4.36 0.11 1.02 -1.10 -4.89 120.64 113.03 2puk n GLU 69 Ca 0.10 -1.16 -0.18 0.00 -0.02 0.00 0.00 57.16 55.90 2puk n GLU 69 Cb 0.60 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 2puk n GLU 69 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2puk s VAL 70 N -1.47 0.85 -0.03 2.62 -7.23 -1.21 -2.11 120.40 111.83 2puk s VAL 70 Ca 0.16 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 2puk s VAL 70 Cb 0.12 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.45 2puk s VAL 70 CO 0.26 -0.07 0.29 -0.89 -0.31 0.00 0.00 175.10 174.39 2puk s THR 71 N -3.54 0.05 1.11 5.32 2.01 -0.62 -4.83 115.64 115.14 2puk s THR 71 Ca 0.36 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.80 2puk s THR 71 Cb 0.08 -0.57 0.25 0.00 0.01 0.00 0.00 72.50 72.27 2puk s THR 71 CO 0.13 -0.24 1.05 -0.76 -0.69 0.00 0.00 174.62 174.12 2puk s LEU 72 N -1.12 1.06 0.00 4.42 1.43 -1.26 0.00 118.68 123.21 2puk s LEU 72 Ca -0.12 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2puk s LEU 72 Cb -0.05 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2puk s LEU 72 CO 0.03 -3.82 0.00 0.00 0.23 0.00 0.00 176.35 172.79