#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcm s LYS 2 N 0.00 3.12 0.01 0.03 1.02 -1.26 -3.74 119.74 118.91 2kcm s LYS 2 Ca 0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 2kcm s LYS 2 Cb 0.00 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 2kcm s LYS 2 CO 0.00 0.51 0.26 0.41 -0.92 0.00 0.00 175.35 175.61 2kcm n GLY 3 N -0.36 0.74 3.13 -3.33 0.00 -1.26 -3.55 105.19 100.57 2kcm n GLY 3 Ca -0.08 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 2kcm n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcm s LYS 4 N -2.01 1.19 -0.27 1.61 1.02 -0.91 -3.42 119.74 116.95 2kcm s LYS 4 Ca 0.06 -0.59 -0.24 0.00 0.02 0.00 0.00 55.97 55.22 2kcm s LYS 4 Cb -0.00 -1.16 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 2kcm s LYS 4 CO 0.00 0.31 0.79 0.54 -0.92 0.00 0.00 175.35 176.07 2kcm s VAL 5 N -0.45 4.84 -0.11 3.17 0.11 -1.10 -1.29 120.40 125.57 2kcm s VAL 5 Ca 0.05 1.37 0.16 0.00 -2.93 0.00 0.00 61.98 60.63 2kcm s VAL 5 Cb -0.06 -4.10 -0.23 0.00 -1.53 0.00 0.00 36.38 30.46 2kcm s VAL 5 CO -0.00 -0.12 0.48 0.55 -3.33 0.00 0.00 175.10 172.68 2kcm n VAL 6 N 5.35 1.38 -3.60 2.04 3.14 -0.95 -3.77 118.33 121.92 2kcm n VAL 6 Ca 0.04 -0.78 -0.15 0.00 -2.96 0.00 0.00 64.34 60.49 2kcm n VAL 6 Cb 0.48 -0.74 -0.06 0.00 -1.06 0.00 0.00 33.84 32.46 2kcm n VAL 6 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2kcm s SER 7 N -5.75 -0.44 -0.28 6.55 0.15 -1.12 -4.84 113.70 107.97 2kcm s SER 7 Ca -0.06 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 2kcm s SER 7 Cb 0.08 0.47 0.16 0.00 -1.71 0.00 0.00 66.02 65.01 2kcm s SER 7 CO 0.83 -0.65 0.53 -0.47 1.20 0.00 0.00 173.24 174.68 2kcm s TYR 8 N -2.02 -1.29 -0.24 3.44 5.04 -1.26 -0.60 117.35 120.42 2kcm s TYR 8 Ca -0.08 1.58 -0.02 0.00 -2.44 0.00 0.00 57.07 56.12 2kcm s TYR 8 Cb -0.01 0.45 0.02 0.00 0.35 0.00 0.00 41.96 42.77 2kcm s TYR 8 CO 0.02 -0.76 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.88 2kcm s LEU 9 N 2.76 3.08 0.22 6.97 1.43 -1.24 -4.98 118.68 126.92 2kcm s LEU 9 Ca 0.12 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2kcm s LEU 9 Cb -0.14 -1.66 0.21 0.00 0.03 0.00 0.00 46.19 44.63 2kcm s LEU 9 CO -0.19 -0.11 1.60 0.00 0.23 0.00 0.00 176.35 177.88 2kcm h ALA 10 N 8.02 0.85 -0.74 4.21 0.00 -1.96 -2.12 119.26 127.53 2kcm h ALA 10 Ca -0.35 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2kcm h ALA 10 Cb 1.12 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2kcm h ALA 10 CO 0.58 0.64 0.40 0.00 0.00 0.00 0.00 179.25 180.88 2kcm h ALA 11 N 1.09 1.32 -0.58 0.00 0.00 -1.96 -0.88 119.26 118.25 2kcm h ALA 11 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kcm h ALA 11 Cb 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kcm h ALA 11 CO 0.08 0.55 0.00 1.63 0.00 0.00 0.00 179.25 181.51 2kcm n LYS 12 N -4.36 2.56 -1.67 0.00 5.02 -1.15 -4.90 118.16 113.67 2kcm n LYS 12 Ca 0.07 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 2kcm n LYS 12 Cb 0.10 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2kcm n LYS 12 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2kcm n LYS 13 N 1.16 -2.03 -3.70 1.97 2.85 -0.34 -4.80 118.16 113.28 2kcm n LYS 13 Ca 0.20 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.29 2kcm n LYS 13 Cb 0.56 -3.27 -0.16 0.00 -0.65 0.00 0.00 35.03 31.51 2kcm n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 2kcm s TYR 14 N -1.30 -0.06 0.00 5.58 5.04 -1.13 -4.51 117.35 120.97 2kcm s TYR 14 Ca 0.00 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 2kcm s TYR 14 Cb 0.00 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.00 2kcm s TYR 14 CO 0.00 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 2kcm n GLY 15 N 4.97 5.12 3.09 8.97 0.00 -1.26 -3.64 105.19 122.44 2kcm n GLY 15 Ca -0.11 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 2kcm n GLY 15 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kcm s PHE 16 N 0.57 -0.31 -0.05 1.61 2.19 0.23 -4.36 117.98 117.87 2kcm s PHE 16 Ca 0.00 0.74 0.02 0.00 0.33 0.00 0.00 56.93 58.03 2kcm s PHE 16 Cb 0.00 0.07 0.01 0.00 -1.31 0.00 0.00 43.02 41.79 2kcm s PHE 16 CO 0.00 -0.19 -0.10 0.42 1.83 0.00 0.00 175.22 177.18 2kcm s ILE 17 N 0.78 0.92 -0.32 3.12 1.01 -1.25 -2.25 121.20 123.21 2kcm s ILE 17 Ca -0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2kcm s ILE 17 Cb -0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 2kcm s ILE 17 CO -0.05 0.30 0.21 -1.58 0.00 0.00 0.00 174.94 173.82 2kcm s GLN 18 N 0.50 3.63 0.79 2.79 2.00 -0.41 -2.85 119.66 126.11 2kcm s GLN 18 Ca -0.09 -0.54 -0.11 0.00 -2.00 0.00 0.00 55.36 52.61 2kcm s GLN 18 Cb -0.13 -3.73 0.07 0.00 0.80 0.00 0.00 33.01 30.02 2kcm s GLN 18 CO 0.02 -0.35 1.09 0.20 -0.50 0.00 0.00 175.29 175.74 2kcm s GLY 19 N 1.72 1.66 0.29 2.59 0.00 0.39 -2.14 107.32 111.83 2kcm s GLY 19 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.92 2kcm s GLY 19 CO 0.10 0.51 1.79 -1.80 0.00 0.00 0.00 173.10 173.71 2kcm h ASP 20 N -1.17 0.62 -0.25 1.64 3.58 -1.85 -1.64 116.42 117.35 2kcm h ASP 20 Ca -0.45 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2kcm h ASP 20 Cb 1.24 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2kcm h ASP 20 CO 0.53 0.72 0.00 0.47 -2.88 0.00 0.00 179.24 178.08 2kcm n ASP 21 N -4.22 1.46 0.00 2.28 8.00 -1.26 -4.84 116.55 117.96 2kcm n ASP 21 Ca 0.02 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2kcm n ASP 21 Cb 0.30 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcm n GLY 22 N 0.96 0.59 3.60 0.44 0.00 -0.61 -5.03 105.19 105.13 2kcm n GLY 22 Ca 0.10 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 2kcm n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kcm s GLU 23 N -1.23 3.92 0.68 1.61 2.02 -1.25 -4.72 118.70 119.73 2kcm s GLU 23 Ca 0.00 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.10 2kcm s GLU 23 Cb 0.00 -3.71 0.01 0.00 0.10 0.00 0.00 34.13 30.53 2kcm s GLU 23 CO 0.00 -0.48 1.07 -1.54 0.02 0.00 0.00 175.26 174.33 2kcm s SER 24 N 1.62 5.56 0.01 -0.19 1.04 -1.26 -0.46 113.70 120.02 2kcm s SER 24 Ca 0.22 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.70 2kcm s SER 24 Cb -0.15 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2kcm s SER 24 CO 0.11 -1.25 0.14 -0.31 0.98 0.00 0.00 173.24 172.90 2kcm s TYR 25 N -3.30 0.06 -0.01 5.02 2.02 -1.13 -4.60 117.35 115.40 2kcm s TYR 25 Ca 0.57 -0.19 -0.07 0.00 -0.37 0.00 0.00 57.07 57.01 2kcm s TYR 25 Cb -0.11 -0.06 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 2kcm s TYR 25 CO 0.51 -0.31 0.26 -0.06 -1.57 0.00 0.00 175.55 174.38 2kcm s PHE 26 N -1.63 3.59 -0.17 2.71 0.40 -1.26 -3.79 117.98 117.84 2kcm s PHE 26 Ca -0.13 0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 2kcm s PHE 26 Cb -0.06 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2kcm s PHE 26 CO 0.00 0.64 -0.06 -0.51 0.70 0.00 0.00 175.22 176.00 2kcm s LEU 27 N -1.58 3.05 0.05 -0.37 1.43 -1.26 -2.94 118.68 117.06 2kcm s LEU 27 Ca 0.25 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2kcm s LEU 27 Cb -0.13 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2kcm s LEU 27 CO 0.14 0.12 -0.01 -1.00 0.23 0.00 0.00 176.35 175.83 2kcm s HIS 28 N 0.67 0.47 0.29 0.29 3.76 -1.26 -4.11 115.29 115.40 2kcm s HIS 28 Ca -0.03 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 53.91 2kcm s HIS 28 Cb -0.15 -0.34 0.45 0.00 1.11 0.00 0.00 32.58 33.65 2kcm s HIS 28 CO 0.02 -0.39 1.78 0.74 -0.85 0.00 0.00 174.74 176.05 2kcm h PHE 29 N 3.19 0.62 0.00 1.40 0.04 -1.94 -1.39 116.94 118.85 2kcm h PHE 29 Ca -0.34 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2kcm h PHE 29 Cb 1.15 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.13 2kcm h PHE 29 CO 0.53 0.66 0.00 1.03 -0.60 0.00 0.00 178.31 179.93 2kcm h SER 30 N 0.53 0.00 0.57 2.17 0.87 -1.99 -0.55 113.55 115.15 2kcm h SER 30 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kcm h SER 30 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2kcm h SER 30 CO 0.03 0.00 -1.29 -0.62 -0.53 0.00 0.00 176.83 174.42 2kcm n GLU 31 N -2.73 0.54 -2.93 2.24 1.02 -0.54 -4.88 120.64 113.36 2kcm n GLU 31 Ca -0.02 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 2kcm n GLU 31 Cb 0.10 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcm s LEU 32 N -4.74 4.55 0.19 -4.62 1.43 -0.22 -2.30 118.68 112.96 2kcm s LEU 32 Ca -0.01 1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 2kcm s LEU 32 Cb 0.12 -3.48 0.10 0.00 0.03 0.00 0.00 46.19 42.97 2kcm s LEU 32 CO 0.83 0.15 1.74 -0.07 0.23 0.00 0.00 176.35 179.23 2kcm h LEU 33 N 4.05 0.92 -8.16 1.79 3.38 -1.84 -3.44 115.31 112.00 2kcm h LEU 33 Ca -0.47 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.12 2kcm h LEU 33 Cb 1.20 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 2kcm h LEU 33 CO 0.66 0.84 -0.71 -0.62 0.09 0.00 0.00 178.44 178.70 2kcm s ASP 34 N -6.19 0.66 0.19 -0.43 2.15 -1.26 -5.04 116.67 106.74 2kcm s ASP 34 Ca -0.13 -0.66 -0.08 0.00 0.43 0.00 0.00 52.55 52.11 2kcm s ASP 34 Cb 0.14 0.09 0.09 0.00 -0.30 0.00 0.00 42.92 42.94 2kcm s ASP 34 CO 0.81 -0.33 1.63 0.11 -0.17 0.00 0.00 175.17 177.23 2kcm h LYS 35 N 4.14 1.01 -0.71 4.34 1.79 -1.92 -2.85 116.57 122.37 2kcm h LYS 35 Ca -0.34 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 57.72 2kcm h LYS 35 Cb 1.19 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 2kcm h LYS 35 CO 0.48 1.03 0.21 0.87 -1.08 0.00 0.00 179.45 180.96 2kcm h LYS 36 N 0.91 1.10 0.00 3.15 1.57 -2.00 -1.93 116.57 119.37 2kcm h LYS 36 Ca 0.15 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kcm h LYS 36 Cb 0.62 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2kcm h LYS 36 CO 0.04 0.94 0.21 -0.25 -0.57 0.00 0.00 179.45 179.82 2kcm n ASP 37 N -4.25 0.00 -0.02 0.86 8.00 -1.07 0.26 116.55 120.33 2kcm n ASP 37 Ca 0.06 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 2kcm n ASP 37 Cb 0.23 -0.26 0.07 0.00 -0.02 0.00 0.00 41.12 41.13 2kcm n ASP 37 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2kcm h GLU 38 N 0.00 0.61 -0.00 -1.24 4.11 -1.46 -2.62 114.58 113.97 2kcm h GLU 38 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2kcm h GLU 38 Cb 0.42 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kcm h GLU 38 CO 0.00 0.95 -0.14 0.41 0.07 0.00 0.00 179.01 180.30 2kcm n GLY 39 N 0.13 -1.34 0.69 1.06 0.00 0.14 -3.06 105.19 102.82 2kcm n GLY 39 Ca -0.02 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2kcm n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kcm n LYS 40 N -1.40 1.96 -2.00 1.61 5.02 -1.00 -4.93 118.16 117.42 2kcm n LYS 40 Ca 0.08 -1.40 -0.34 0.00 -2.02 0.00 0.00 58.31 54.64 2kcm n LYS 40 Cb 0.32 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kcm s LEU 41 N -1.97 3.54 -0.20 -0.35 1.43 -1.16 -5.01 118.68 114.95 2kcm s LEU 41 Ca 0.34 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.42 2kcm s LEU 41 Cb 0.21 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.87 2kcm s LEU 41 CO 0.32 -1.38 -0.08 0.54 0.23 0.00 0.00 176.35 175.98 2kcm s VAL 42 N -2.18 3.05 -0.01 -1.59 0.11 -1.26 -5.10 120.40 113.42 2kcm s VAL 42 Ca 0.68 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.94 2kcm s VAL 42 Cb -0.20 -2.36 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 2kcm s VAL 42 CO 0.35 0.46 0.50 -0.75 -3.33 0.00 0.00 175.10 172.33 2kcm s LYS 43 N 1.36 4.18 0.00 1.54 2.20 -1.26 -4.12 119.74 123.64 2kcm s LYS 43 Ca 0.04 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2kcm s LYS 43 Cb -0.14 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2kcm s LYS 43 CO -0.05 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 2kcm n GLY 44 N 2.29 0.63 0.00 5.54 0.00 -1.25 -5.04 105.19 107.37 2kcm n GLY 44 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2kcm n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kcm n SER 45 N 1.59 0.00 -4.83 1.61 7.64 -1.26 -5.04 113.62 113.33 2kcm n SER 45 Ca 0.00 -0.46 -0.35 0.00 1.01 0.00 0.00 58.87 59.07 2kcm n SER 45 Cb 0.26 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 2kcm n SER 45 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kcm s MET 46 N -0.39 4.11 0.13 1.43 -1.94 -1.26 -2.70 119.30 118.68 2kcm s MET 46 Ca 0.00 0.69 0.02 0.00 -1.71 0.00 0.00 55.69 54.69 2kcm s MET 46 Cb 0.00 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 2kcm s MET 46 CO 0.00 0.39 -0.06 0.14 -0.01 0.00 0.00 175.02 175.48 2kcm s VAL 47 N -1.58 0.82 -0.15 -6.03 -7.23 -1.22 -4.91 120.40 100.10 2kcm s VAL 47 Ca 0.43 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2kcm s VAL 47 Cb -0.15 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2kcm s VAL 47 CO 0.20 -0.74 -0.20 -2.28 -0.31 0.00 0.00 175.10 171.77 2kcm s HIS 48 N -3.55 2.71 0.07 2.82 5.65 -0.97 -4.17 115.29 117.85 2kcm s HIS 48 Ca 0.16 -1.28 -0.12 0.00 0.25 0.00 0.00 55.06 54.07 2kcm s HIS 48 Cb 0.05 -1.84 0.01 0.00 -1.18 0.00 0.00 32.58 29.62 2kcm s HIS 48 CO -0.01 -0.59 0.28 -0.59 -0.65 0.00 0.00 174.74 173.18 2kcm s PHE 49 N 0.85 -0.04 0.08 3.88 -0.71 -1.25 0.11 117.98 120.92 2kcm s PHE 49 Ca -0.06 -0.22 0.03 0.00 -1.04 0.00 0.00 56.93 55.64 2kcm s PHE 49 Cb -0.15 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 2kcm s PHE 49 CO -0.02 -0.54 0.12 -0.51 -1.34 0.00 0.00 175.22 172.93 2kcm s ASP 50 N -2.39 5.71 0.63 1.98 1.11 -0.96 -4.41 116.67 118.35 2kcm s ASP 50 Ca -0.01 0.04 -0.17 0.00 0.18 0.00 0.00 52.55 52.59 2kcm s ASP 50 Cb 0.01 -1.59 -0.01 0.00 1.07 0.00 0.00 42.92 42.40 2kcm s ASP 50 CO -0.07 0.16 1.15 -2.16 1.18 0.00 0.00 175.17 175.43 2kcm s PRO 51 N -2.50 2.86 -0.18 8.23 0.04 -1.26 -1.46 135.00 140.73 2kcm s PRO 51 Ca 0.31 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 2kcm s PRO 51 Cb -0.12 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.53 2kcm s PRO 51 CO 0.23 -1.24 0.44 0.99 0.04 0.00 0.00 177.00 177.47 2kcm s THR 52 N -2.02 -0.02 0.00 1.26 2.01 -0.32 -4.67 115.64 111.88 2kcm s THR 52 Ca 0.71 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.78 2kcm s THR 52 Cb -0.24 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.62 2kcm s THR 52 CO 0.37 0.03 0.32 -0.81 -0.69 0.00 0.00 174.62 173.84 2kcm n PRO 53 N 3.95 0.00 -1.58 4.92 -0.04 -1.26 -2.33 135.00 138.67 2kcm n PRO 53 Ca -0.21 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2kcm n PRO 53 Cb 0.56 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 2kcm n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kcm n THR 54 N -1.77 -2.94 -0.36 0.52 -2.24 -1.26 -1.76 114.28 104.47 2kcm n THR 54 Ca 0.00 1.45 0.27 0.00 -2.27 0.00 0.00 64.05 63.51 2kcm n THR 54 Cb 0.00 -2.37 0.55 0.00 -2.10 0.00 0.00 70.33 66.41 2kcm n THR 54 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2kcm h PRO 55 N 0.27 0.28 -0.65 -0.78 0.11 -1.99 0.22 132.00 129.46 2kcm h PRO 55 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2kcm h PRO 55 Cb 0.85 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 2kcm h PRO 55 CO 0.00 0.19 0.25 0.87 -0.21 0.00 0.00 178.00 179.09 2kcm h LYS 56 N 0.29 0.98 0.00 1.05 1.57 -1.99 -3.48 116.57 114.99 2kcm h LYS 56 Ca 0.68 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2kcm h LYS 56 Cb 1.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.01 2kcm h LYS 56 CO -0.36 0.84 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 2kcm n GLY 57 N -0.81 2.28 3.70 3.86 0.00 0.79 -5.04 105.19 109.97 2kcm n GLY 57 Ca 0.04 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 2kcm n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcm s LEU 58 N 0.00 4.20 -0.05 0.99 2.01 -1.25 -4.09 118.68 120.49 2kcm s LEU 58 Ca 0.00 0.49 -0.30 0.00 0.01 0.00 0.00 54.13 54.33 2kcm s LEU 58 Cb 0.00 -2.41 0.09 0.00 0.01 0.00 0.00 46.19 43.87 2kcm s LEU 58 CO 0.00 0.03 0.76 0.00 1.01 0.00 0.00 176.35 178.15 2kcm s ALA 59 N 0.81 -1.79 0.24 4.21 0.00 -0.98 -4.01 121.76 120.24 2kcm s ALA 59 Ca 0.17 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.47 2kcm s ALA 59 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 2kcm s ALA 59 CO 0.06 -0.42 0.32 0.00 0.00 0.00 0.00 175.76 175.72 2kcm s ALA 60 N -1.55 3.85 -0.13 0.00 0.00 -1.15 -1.18 121.76 121.60 2kcm s ALA 60 Ca -0.07 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 2kcm s ALA 60 Cb -0.00 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.52 2kcm s ALA 60 CO 0.04 0.24 0.35 0.21 0.00 0.00 0.00 175.76 176.61 2kcm s LYS 61 N -3.94 0.40 -0.79 0.00 2.20 -0.54 -4.83 119.74 112.23 2kcm s LYS 61 Ca 0.34 0.52 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 2kcm s LYS 61 Cb -0.09 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2kcm s LYS 61 CO 0.28 -0.06 0.72 0.00 -0.36 0.00 0.00 175.35 175.93 2kcm n ALA 62 N 3.07 -2.53 -1.82 3.13 0.00 -0.97 -2.25 120.51 119.14 2kcm n ALA 62 Ca -0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2kcm n ALA 62 Cb 0.57 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2kcm n ALA 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kcm s ILE 63 N -3.06 2.69 0.01 0.00 -1.09 -0.99 -4.32 121.20 114.43 2kcm s ILE 63 Ca 0.06 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.17 2kcm s ILE 63 Cb -0.01 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2kcm s ILE 63 CO 0.76 0.14 -0.10 -0.55 -1.23 0.00 0.00 174.94 173.96 2kcm s SER 64 N -0.17 1.21 -0.56 3.58 0.15 0.12 -4.53 113.70 113.50 2kcm s SER 64 Ca 0.53 -0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 2kcm s SER 64 Cb -0.41 -0.11 0.14 0.00 -1.71 0.00 0.00 66.02 63.94 2kcm s SER 64 CO 0.50 0.07 0.36 -1.48 1.20 0.00 0.00 173.24 173.89 2kcm s LEU 65 N -0.52 5.15 0.00 3.45 2.34 -1.26 -2.28 118.68 125.56 2kcm s LEU 65 Ca 0.02 -2.65 0.19 0.00 0.06 0.00 0.00 54.13 51.75 2kcm s LEU 65 Cb -0.05 -1.83 1.16 0.00 -0.56 0.00 0.00 46.19 44.92 2kcm s LEU 65 CO 0.00 -0.40 1.68 -0.81 -1.06 0.00 0.00 176.35 175.76 2kcm n PRO 66 N 3.74 0.89 -2.14 1.48 -0.04 -1.26 -4.85 135.00 132.81 2kcm n PRO 66 Ca 0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.18 2kcm n PRO 66 Cb 0.38 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2kcm n PRO 66 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kcm s LEU 67 N -1.69 3.55 0.20 1.53 2.01 -1.26 -4.93 118.68 118.09 2kcm s LEU 67 Ca 0.29 1.79 -0.29 0.00 0.01 0.00 0.00 54.13 55.94 2kcm s LEU 67 Cb 0.13 -4.53 -0.17 0.00 0.01 0.00 0.00 46.19 41.63 2kcm s LEU 67 CO 0.23 -1.05 0.65 -0.62 1.01 0.00 0.00 176.35 176.57 2kcm n GLU 68 N -1.87 0.24 -0.14 1.70 4.71 -1.26 -4.85 120.64 119.17 2kcm n GLU 68 Ca 0.08 0.09 -0.10 0.00 -0.01 0.00 0.00 57.16 57.22 2kcm n GLU 68 Cb 0.53 -1.19 -0.01 0.00 -1.01 0.00 0.00 31.44 29.76 2kcm n GLU 68 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kcm h HIS 69 N 1.37 0.78 -3.59 -0.32 3.86 -1.93 -3.38 115.15 111.93 2kcm h HIS 69 Ca -0.32 -0.13 -0.68 0.00 -1.16 0.00 0.00 60.37 58.08 2kcm h HIS 69 Cb 1.42 -0.21 -0.36 0.00 1.06 0.00 0.00 27.41 29.33 2kcm h HIS 69 CO 0.44 0.78 -0.63 -1.01 0.86 0.00 0.00 177.93 178.37 2kcm s HIS 70 N -5.05 3.59 0.15 2.45 3.76 -1.26 -4.95 115.29 113.98 2kcm s HIS 70 Ca -0.13 -2.52 -0.11 0.00 -0.15 0.00 0.00 55.06 52.15 2kcm s HIS 70 Cb 0.10 -2.96 -0.01 0.00 1.11 0.00 0.00 32.58 30.82 2kcm s HIS 70 CO 0.79 -0.94 1.52 0.45 -0.85 0.00 0.00 174.74 175.71 2kcm h HIS 71 N 7.90 1.13 -3.40 1.40 -0.00 -1.98 -3.42 115.15 116.78 2kcm h HIS 71 Ca -0.12 -0.29 -0.55 0.00 -0.00 0.00 0.00 60.37 59.41 2kcm h HIS 71 Cb 1.04 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 28.15 2kcm h HIS 71 CO 0.54 1.12 0.13 -1.58 -0.00 0.00 0.00 177.93 178.14 2kcm s HIS 72 N -4.59 3.71 0.06 2.45 2.46 -1.26 -5.06 115.29 113.06 2kcm s HIS 72 Ca -0.11 1.41 0.07 0.00 0.47 0.00 0.00 55.06 56.89 2kcm s HIS 72 Cb 0.12 -2.79 -0.04 0.00 -0.13 0.00 0.00 32.58 29.74 2kcm s HIS 72 CO 0.87 0.26 -0.13 -1.01 -2.47 0.00 0.00 174.74 172.26 2kcm s HIS 73 N 0.04 2.69 0.00 3.88 3.76 -1.26 -5.18 115.29 119.22 2kcm s HIS 73 Ca 0.37 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2kcm s HIS 73 Cb -0.20 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.02 2kcm s HIS 73 CO 0.22 0.35 0.00 -2.39 -0.85 0.00 0.00 174.74 172.07