#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 2.27 0.00 0.03 -2.85 -1.26 -4.03 119.74 113.90 2kcm s LYS 2 Ca 0.00 -1.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.04 2kcm s LYS 2 Cb 0.00 -2.21 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2kcm s LYS 2 CO 0.00 -0.65 0.00 0.41 0.10 0.00 0.00 175.35 175.21 2kcm n GLY 3 N -1.85 1.65 2.98 0.59 0.00 -1.20 -2.61 105.19 104.75 2kcm n GLY 3 Ca 0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 2kcm n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcm s LYS 4 N 1.01 0.94 -0.58 1.61 2.20 0.09 -2.46 119.74 122.55 2kcm s LYS 4 Ca 0.00 -0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 2kcm s LYS 4 Cb 0.00 -0.88 0.04 0.00 -1.51 0.00 0.00 37.83 35.48 2kcm s LYS 4 CO 0.00 0.08 1.10 0.54 -0.36 0.00 0.00 175.35 176.71 2kcm s VAL 5 N 0.31 4.14 0.21 4.02 0.11 -1.10 -0.71 120.40 127.38 2kcm s VAL 5 Ca -0.05 0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2kcm s VAL 5 Cb -0.09 -4.67 -0.02 0.00 -1.53 0.00 0.00 36.38 30.07 2kcm s VAL 5 CO 0.01 -1.29 1.56 1.62 -3.33 0.00 0.00 175.10 173.66 2kcm h VAL 6 N 6.09 1.30 -2.89 2.04 3.04 -1.89 -3.16 116.25 120.79 2kcm h VAL 6 Ca -0.26 -1.62 -0.12 0.00 -1.01 0.00 0.00 66.70 63.69 2kcm h VAL 6 Cb 1.06 1.58 -0.22 0.00 -2.01 0.00 0.00 31.29 31.70 2kcm h VAL 6 CO 1.16 0.51 -0.26 -0.55 -1.01 0.00 0.00 177.57 177.42 2kcm s SER 7 N -6.87 -0.31 0.02 3.17 0.15 -1.10 -4.69 113.70 104.07 2kcm s SER 7 Ca -0.08 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2kcm s SER 7 Cb 0.12 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2kcm s SER 7 CO 0.83 -0.28 0.00 0.00 1.20 0.00 0.00 173.24 174.99 2kcm n TYR 8 N 2.13 -0.10 -2.35 3.44 9.36 -1.26 -2.24 117.16 126.14 2kcm n TYR 8 Ca -0.17 0.02 -0.00 0.00 3.32 0.00 0.00 57.90 61.07 2kcm n TYR 8 Cb 0.57 0.13 -0.00 0.00 -0.63 0.00 0.00 39.34 39.41 2kcm n TYR 8 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2kcm n LEU 9 N -2.65 -6.03 0.11 2.98 4.77 -1.26 -3.84 117.00 111.07 2kcm n LEU 9 Ca 0.00 2.68 0.05 0.00 -0.03 0.00 0.00 56.01 58.71 2kcm n LEU 9 Cb 0.00 -3.11 0.00 0.00 -2.33 0.00 0.00 43.42 37.99 2kcm n LEU 9 CO 0.00 -2.89 0.16 0.00 -1.33 0.00 0.00 177.39 173.33 2kcm h ALA 10 N 4.29 0.67 -0.95 -1.18 0.00 -1.95 -2.84 119.26 117.31 2kcm h ALA 10 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kcm h ALA 10 Cb 0.06 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2kcm h ALA 10 CO 0.00 0.48 0.61 0.00 0.00 0.00 0.00 179.25 180.33 2kcm h ALA 11 N 1.67 1.20 -0.02 0.00 0.00 -1.95 -1.83 119.26 118.33 2kcm h ALA 11 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2kcm h ALA 11 Cb 1.30 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kcm h ALA 11 CO 0.03 0.62 -0.29 1.63 0.00 0.00 0.00 179.25 181.24 2kcm n LYS 12 N -4.40 1.47 -0.59 0.00 5.02 -1.25 -4.91 118.16 113.50 2kcm n LYS 12 Ca 0.11 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 2kcm n LYS 12 Cb 0.03 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kcm n LYS 13 N 0.24 -1.87 -4.19 1.97 5.02 -0.69 -4.87 118.16 113.78 2kcm n LYS 13 Ca 0.12 0.28 -0.17 0.00 -2.02 0.00 0.00 58.31 56.52 2kcm n LYS 13 Cb 0.48 -3.97 -0.12 0.00 -0.02 0.00 0.00 35.03 31.40 2kcm n LYS 13 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kcm s TYR 14 N -0.61 1.03 0.00 2.13 2.02 -1.24 -4.22 117.35 116.46 2kcm s TYR 14 Ca 0.00 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2kcm s TYR 14 Cb 0.00 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 2kcm s TYR 14 CO 0.00 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 2kcm n GLY 15 N 1.61 2.64 3.06 0.71 0.00 -1.23 -4.57 105.19 107.41 2kcm n GLY 15 Ca -0.20 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 2kcm n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcm s PHE 16 N -2.80 0.49 -0.03 1.61 0.08 -0.95 -3.25 117.98 113.13 2kcm s PHE 16 Ca 0.00 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.27 2kcm s PHE 16 Cb 0.00 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 2kcm s PHE 16 CO 0.00 -0.26 -0.10 0.42 -0.10 0.00 0.00 175.22 175.19 2kcm s ILE 17 N -2.78 0.84 -0.29 0.64 1.01 -0.88 -2.70 121.20 117.04 2kcm s ILE 17 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2kcm s ILE 17 Cb -0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2kcm s ILE 17 CO -0.05 0.26 0.18 -1.58 0.00 0.00 0.00 174.94 173.75 2kcm s GLN 18 N 0.25 3.76 0.68 2.79 2.00 0.11 -0.92 119.66 128.34 2kcm s GLN 18 Ca -0.04 -0.45 -0.14 0.00 -2.00 0.00 0.00 55.36 52.73 2kcm s GLN 18 Cb -0.10 -3.65 0.01 0.00 0.80 0.00 0.00 33.01 30.08 2kcm s GLN 18 CO 0.01 -0.26 1.09 0.20 -0.50 0.00 0.00 175.29 175.83 2kcm s GLY 19 N 1.72 1.99 0.43 2.59 0.00 0.99 -0.73 107.32 114.30 2kcm s GLY 19 Ca 0.07 0.42 0.19 0.00 0.00 0.00 0.00 44.72 45.39 2kcm s GLY 19 CO 0.10 0.76 1.90 1.29 0.00 0.00 0.00 173.10 177.14 2kcm h ASP 20 N -0.28 0.00 -0.32 1.64 2.03 -1.78 -1.81 116.42 115.90 2kcm h ASP 20 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2kcm h ASP 20 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kcm h ASP 20 CO 0.54 0.28 0.00 -0.90 -1.03 0.00 0.00 179.24 178.13 2kcm n ASP 21 N -3.86 1.84 0.00 4.15 5.75 -1.26 -4.85 116.55 118.31 2kcm n ASP 21 Ca -0.02 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2kcm n ASP 21 Cb 0.36 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kcm n GLY 22 N 1.07 0.66 3.54 6.12 0.00 -0.68 -5.03 105.19 110.89 2kcm n GLY 22 Ca 0.13 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.59 3.55 0.40 1.61 0.41 -1.25 -4.78 118.70 118.05 2kcm s GLU 23 Ca 0.00 -0.34 -0.23 0.00 -0.41 0.00 0.00 54.97 53.99 2kcm s GLU 23 Cb 0.00 -3.82 -0.10 0.00 -1.78 0.00 0.00 34.13 28.43 2kcm s GLU 23 CO 0.00 -0.60 0.97 0.45 -0.49 0.00 0.00 175.26 175.59 2kcm s SER 24 N 1.75 6.97 0.00 -0.19 0.15 -1.26 -0.00 113.70 121.12 2kcm s SER 24 Ca 0.15 1.81 0.03 0.00 0.70 0.00 0.00 55.95 58.64 2kcm s SER 24 Cb -0.16 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 2kcm s SER 24 CO 0.12 -0.34 -0.11 -0.31 1.20 0.00 0.00 173.24 173.81 2kcm s TYR 25 N -1.92 0.96 0.35 3.44 2.02 -0.09 -4.68 117.35 117.43 2kcm s TYR 25 Ca 0.58 -0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.80 2kcm s TYR 25 Cb -0.15 -0.60 -0.09 0.00 -0.40 0.00 0.00 41.96 40.72 2kcm s TYR 25 CO 0.19 -0.01 1.03 -0.06 -1.57 0.00 0.00 175.55 175.13 2kcm s PHE 26 N -0.42 3.46 -0.19 2.71 0.40 -1.21 -2.06 117.98 120.66 2kcm s PHE 26 Ca 0.03 1.70 -0.02 0.00 -0.60 0.00 0.00 56.93 58.04 2kcm s PHE 26 Cb -0.05 -3.10 -0.00 0.00 0.51 0.00 0.00 43.02 40.37 2kcm s PHE 26 CO -0.00 -0.36 -0.10 -1.17 0.70 0.00 0.00 175.22 174.29 2kcm s LEU 27 N -2.20 2.69 0.07 -0.37 0.20 -1.20 -3.56 118.68 114.31 2kcm s LEU 27 Ca 0.53 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.91 2kcm s LEU 27 Cb -0.23 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2kcm s LEU 27 CO 0.29 0.03 -0.03 -1.38 -0.29 0.00 0.00 176.35 174.97 2kcm s HIS 28 N 1.18 0.63 -0.94 5.38 -3.43 -1.26 -3.51 115.29 113.33 2kcm s HIS 28 Ca 0.02 -1.05 0.26 0.00 -0.80 0.00 0.00 55.06 53.49 2kcm s HIS 28 Cb -0.14 -0.43 0.75 0.00 -1.43 0.00 0.00 32.58 31.33 2kcm s HIS 28 CO -0.03 -0.35 1.59 1.19 -2.00 0.00 0.00 174.74 175.14 2kcm n PHE 29 N 0.06 0.11 0.35 0.38 3.01 -1.26 -3.52 117.46 116.59 2kcm n PHE 29 Ca -0.13 0.03 0.07 0.00 1.01 0.00 0.00 57.45 58.44 2kcm n PHE 29 Cb 0.61 -0.42 0.33 0.00 -0.01 0.00 0.00 39.48 40.00 2kcm n PHE 29 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2kcm n SER 30 N -1.61 0.24 -0.02 4.37 7.64 -1.26 -2.28 113.62 120.69 2kcm n SER 30 Ca 0.06 0.57 0.02 0.00 1.01 0.00 0.00 58.87 60.53 2kcm n SER 30 Cb 0.35 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 62.84 2kcm n SER 30 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kcm n GLU 31 N -1.77 0.94 -1.69 1.43 4.07 -1.23 -4.97 120.64 117.41 2kcm n GLU 31 Ca 0.02 -0.08 -0.44 0.00 -0.06 0.00 0.00 57.16 56.60 2kcm n GLU 31 Cb 0.14 -1.30 -0.04 0.00 -0.06 0.00 0.00 31.44 30.18 2kcm n GLU 31 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2kcm n LEU 32 N -2.10 3.60 -0.27 4.31 4.77 -0.96 -4.56 117.00 121.78 2kcm n LEU 32 Ca -0.08 1.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.89 2kcm n LEU 32 Cb 0.51 -1.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.17 2kcm n LEU 32 CO 0.26 -0.03 1.02 -0.07 -1.33 0.00 0.00 177.39 177.24 2kcm h LEU 33 N 6.96 1.06 -7.84 2.23 3.38 -1.88 -3.42 115.31 115.80 2kcm h LEU 33 Ca -0.45 -0.19 -0.45 0.00 0.09 0.00 0.00 57.88 56.88 2kcm h LEU 33 Cb 1.23 -0.27 -0.34 0.00 0.09 0.00 0.00 40.66 41.37 2kcm h LEU 33 CO 0.93 0.96 -0.79 -0.62 0.09 0.00 0.00 178.44 179.00 2kcm s ASP 34 N -6.33 1.30 0.29 -0.43 -1.08 -1.26 -5.02 116.67 104.14 2kcm s ASP 34 Ca -0.12 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 2kcm s ASP 34 Cb 0.15 -0.61 0.45 0.00 -1.46 0.00 0.00 42.92 41.45 2kcm s ASP 34 CO 0.83 -0.02 1.83 0.11 0.52 0.00 0.00 175.17 178.45 2kcm h LYS 35 N 7.11 0.74 -0.50 4.34 1.79 -1.94 -2.50 116.57 125.61 2kcm h LYS 35 Ca -0.35 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 57.93 2kcm h LYS 35 Cb 1.17 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2kcm h LYS 35 CO 0.47 0.70 0.18 0.87 -1.08 0.00 0.00 179.45 180.58 2kcm h LYS 36 N 0.71 0.73 0.00 3.15 1.57 -1.98 -1.49 116.57 119.25 2kcm h LYS 36 Ca 0.15 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2kcm h LYS 36 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2kcm h LYS 36 CO 0.00 0.62 0.00 -0.25 -0.57 0.00 0.00 179.45 179.25 2kcm n ASP 37 N -4.33 0.00 -0.11 0.86 8.00 -0.94 -2.11 116.55 117.91 2kcm n ASP 37 Ca 0.04 0.28 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 2kcm n ASP 37 Cb 0.17 -0.31 0.22 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.78 0.00 -1.24 4.11 -1.38 -1.18 114.58 115.67 2kcm h GLU 38 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2kcm h GLU 38 Cb 0.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2kcm h GLU 38 CO 0.00 0.70 0.00 0.41 0.07 0.00 0.00 179.01 180.19 2kcm n GLY 39 N -0.92 -1.11 0.75 1.06 0.00 -0.90 -2.17 105.19 101.91 2kcm n GLY 39 Ca 0.04 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.36 2.04 -1.37 1.61 5.02 -0.45 -4.94 118.16 118.72 2kcm n LYS 40 Ca 0.09 -1.51 -0.32 0.00 -2.02 0.00 0.00 58.31 54.56 2kcm n LYS 40 Cb 0.21 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.00 3.12 -0.03 -0.35 1.43 -0.92 -5.02 118.68 114.91 2kcm s LEU 41 Ca 0.32 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.37 2kcm s LEU 41 Cb 0.20 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.88 2kcm s LEU 41 CO 0.32 -1.97 -0.22 0.54 0.23 0.00 0.00 176.35 175.24 2kcm s VAL 42 N -2.74 1.75 -0.16 -1.59 0.11 -1.26 -5.11 120.40 111.40 2kcm s VAL 42 Ca 0.63 -0.93 -0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2kcm s VAL 42 Cb -0.18 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.17 2kcm s VAL 42 CO 0.52 0.50 -0.00 -0.75 -3.33 0.00 0.00 175.10 172.03 2kcm s LYS 43 N -0.36 3.77 0.00 1.54 2.20 -1.26 -4.43 119.74 121.21 2kcm s LYS 43 Ca 0.04 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2kcm s LYS 43 Cb -0.10 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2kcm s LYS 43 CO 0.01 0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 2kcm n GLY 44 N 3.52 0.60 3.24 5.54 0.00 -1.19 -5.05 105.19 111.85 2kcm n GLY 44 Ca -0.17 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcm s SER 45 N -2.80 0.68 0.34 1.61 0.01 -1.26 -5.01 113.70 107.27 2kcm s SER 45 Ca 0.00 -1.51 -0.26 0.00 1.31 0.00 0.00 55.95 55.49 2kcm s SER 45 Cb 0.00 0.45 -0.10 0.00 0.21 0.00 0.00 66.02 66.58 2kcm s SER 45 CO 0.00 -0.93 0.98 -0.04 0.41 0.00 0.00 173.24 173.67 2kcm s MET 46 N -3.90 4.46 0.18 12.44 -1.94 -1.26 -2.69 119.30 126.59 2kcm s MET 46 Ca 0.39 1.41 0.02 0.00 -1.71 0.00 0.00 55.69 55.80 2kcm s MET 46 Cb 0.05 -2.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 2kcm s MET 46 CO 0.17 0.15 0.01 0.14 -0.01 0.00 0.00 175.02 175.49 2kcm s VAL 47 N -1.61 0.67 -0.12 -6.03 -7.23 -1.03 -4.76 120.40 100.29 2kcm s VAL 47 Ca 0.52 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2kcm s VAL 47 Cb -0.20 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 2kcm s VAL 47 CO 0.26 -0.43 -0.18 -2.28 -0.31 0.00 0.00 175.10 172.16 2kcm s HIS 48 N -3.66 2.71 0.14 2.82 5.65 -1.07 -3.27 115.29 118.62 2kcm s HIS 48 Ca 0.25 -0.84 -0.10 0.00 0.25 0.00 0.00 55.06 54.62 2kcm s HIS 48 Cb 0.06 -1.79 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 2kcm s HIS 48 CO 0.05 -0.32 0.28 -0.59 -0.65 0.00 0.00 174.74 173.51 2kcm s PHE 49 N 0.39 0.23 -0.36 3.88 -0.12 -1.26 0.03 117.98 120.77 2kcm s PHE 49 Ca -0.14 -0.61 -0.11 0.00 -0.05 0.00 0.00 56.93 56.03 2kcm s PHE 49 Cb -0.17 0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.25 2kcm s PHE 49 CO 0.06 -0.68 0.19 -0.51 -0.05 0.00 0.00 175.22 174.24 2kcm s ASP 50 N -2.91 5.68 0.25 1.98 1.01 -1.05 -4.64 116.67 116.98 2kcm s ASP 50 Ca 0.11 -0.90 -0.30 0.00 0.71 0.00 0.00 52.55 52.18 2kcm s ASP 50 Cb 0.03 -2.01 -0.15 0.00 1.01 0.00 0.00 42.92 41.80 2kcm s ASP 50 CO -0.05 -0.34 1.06 -2.65 0.21 0.00 0.00 175.17 173.40 2kcm n PRO 51 N 4.99 1.28 -3.70 8.23 -0.02 -1.26 -2.88 135.00 141.64 2kcm n PRO 51 Ca -0.12 0.45 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2kcm n PRO 51 Cb 0.47 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 2kcm n PRO 51 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kcm s THR 52 N -0.72 -0.02 0.82 3.45 2.01 -0.72 -4.86 115.64 115.60 2kcm s THR 52 Ca 0.64 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 2kcm s THR 52 Cb -0.76 -0.66 0.08 0.00 0.01 0.00 0.00 72.50 71.18 2kcm s THR 52 CO 0.57 0.02 1.10 -2.16 -0.69 0.00 0.00 174.62 173.46 2kcm s PRO 53 N 1.07 1.87 -0.21 4.92 0.04 -1.26 0.57 135.00 142.00 2kcm s PRO 53 Ca -0.07 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 2kcm s PRO 53 Cb -0.06 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.74 2kcm s PRO 53 CO -0.09 -1.78 1.13 -0.08 0.04 0.00 0.00 177.00 176.21 2kcm s THR 54 N -3.10 0.00 0.50 1.26 -1.32 -1.05 -4.56 115.64 107.37 2kcm s THR 54 Ca 0.61 0.00 0.33 0.00 -1.21 0.00 0.00 61.69 61.42 2kcm s THR 54 Cb -0.15 -1.00 0.52 0.00 -1.51 0.00 0.00 72.50 70.36 2kcm s THR 54 CO 0.55 0.00 1.78 -0.65 -2.21 0.00 0.00 174.62 174.08 2kcm h PRO 55 N 2.42 0.09 0.00 7.08 0.11 -1.98 1.32 132.00 141.04 2kcm h PRO 55 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2kcm h PRO 55 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kcm h PRO 55 CO 0.27 0.06 0.00 1.63 -0.21 0.00 0.00 178.00 179.76 2kcm n LYS 56 N -4.30 0.90 0.00 1.05 5.02 -1.26 -4.94 118.16 114.62 2kcm n LYS 56 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2kcm n LYS 56 Cb 1.21 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kcm n GLY 57 N 0.70 1.85 3.18 0.72 0.00 0.45 -5.01 105.19 107.08 2kcm n GLY 57 Ca 0.16 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 2.26 0.02 0.99 1.43 -1.26 -2.54 118.68 119.58 2kcm s LEU 58 Ca 0.00 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2kcm s LEU 58 Cb 0.00 -0.57 -0.01 0.00 0.03 0.00 0.00 46.19 45.64 2kcm s LEU 58 CO 0.00 -0.04 -0.05 0.00 0.23 0.00 0.00 176.35 176.49 2kcm s ALA 59 N -1.19 0.37 -0.53 4.21 0.00 0.19 -3.33 121.76 121.49 2kcm s ALA 59 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 2kcm s ALA 59 Cb -0.10 -0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.15 2kcm s ALA 59 CO 0.02 0.01 0.44 0.00 0.00 0.00 0.00 175.76 176.23 2kcm s ALA 60 N -0.73 3.55 0.26 0.00 0.00 -1.23 -1.75 121.76 121.85 2kcm s ALA 60 Ca -0.05 -2.61 -0.24 0.00 0.00 0.00 0.00 51.96 49.05 2kcm s ALA 60 Cb -0.06 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 2kcm s ALA 60 CO -0.00 -1.98 0.86 0.21 0.00 0.00 0.00 175.76 174.84 2kcm s LYS 61 N 1.34 4.51 -0.94 0.00 2.47 -1.14 -4.42 119.74 121.56 2kcm s LYS 61 Ca 0.06 1.19 -0.11 0.00 -1.56 0.00 0.00 55.97 55.55 2kcm s LYS 61 Cb -0.27 -2.94 0.01 0.00 -1.46 0.00 0.00 37.83 33.18 2kcm s LYS 61 CO 0.00 0.38 0.64 0.00 0.16 0.00 0.00 175.35 176.53 2kcm n ALA 62 N 0.85 -2.73 -1.91 3.13 0.00 -1.26 -2.51 120.51 116.07 2kcm n ALA 62 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 2kcm n ALA 62 Cb 0.50 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.16 3.69 0.08 0.00 1.01 -1.26 -4.08 121.20 117.48 2kcm s ILE 63 Ca 0.16 1.57 0.08 0.00 0.00 0.00 0.00 60.65 62.46 2kcm s ILE 63 Cb -0.08 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2kcm s ILE 63 CO 0.91 0.32 -0.22 -0.55 0.00 0.00 0.00 174.94 175.40 2kcm s SER 64 N -0.49 2.68 -0.63 3.58 0.15 0.10 -4.83 113.70 114.26 2kcm s SER 64 Ca 0.47 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.53 2kcm s SER 64 Cb -0.31 -0.18 0.17 0.00 -1.71 0.00 0.00 66.02 63.99 2kcm s SER 64 CO 0.38 0.12 0.47 0.00 1.20 0.00 0.00 173.24 175.41 2kcm n LEU 65 N 1.36 2.18 0.04 3.45 -0.00 -1.26 -2.58 117.00 120.19 2kcm n LEU 65 Ca -0.18 -5.02 0.13 0.00 -0.00 0.00 0.00 56.01 50.94 2kcm n LEU 65 Cb 0.53 -0.43 0.48 0.00 -0.00 0.00 0.00 43.42 44.00 2kcm n LEU 65 CO 0.23 1.79 0.84 -0.81 -0.00 0.00 0.00 177.39 179.44 2kcm n PRO 66 N 2.13 0.11 0.00 1.47 -0.04 -1.26 -4.99 135.00 132.42 2kcm n PRO 66 Ca 0.23 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2kcm n PRO 66 Cb 0.38 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2kcm n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcm n LEU 67 N -1.81 0.00 -0.71 1.53 4.77 -1.26 -4.71 117.00 114.81 2kcm n LEU 67 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2kcm n LEU 67 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2kcm n LEU 67 CO 0.30 0.00 0.25 -1.84 -1.33 0.00 0.00 177.39 174.76 2kcm n GLU 68 N 0.00 0.00 -0.09 3.23 0.00 -1.26 -4.98 120.64 117.55 2kcm n GLU 68 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 57.16 56.57 2kcm n GLU 68 Cb 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 31.44 31.73 2kcm n GLU 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 2kcm h HIS 69 N 0.00 0.40 -2.73 -1.84 2.07 -2.02 -3.44 115.15 107.59 2kcm h HIS 69 Ca -0.28 -0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.12 2kcm h HIS 69 Cb 1.06 -0.13 -0.22 0.00 2.57 0.00 0.00 27.41 30.69 2kcm h HIS 69 CO -0.18 0.32 -0.20 -1.01 -3.07 0.00 0.00 177.93 173.79 2kcm s HIS 70 N -5.90 -0.41 -2.24 6.12 3.76 -1.26 -5.01 115.29 110.35 2kcm s HIS 70 Ca -0.13 0.90 0.21 0.00 -0.15 0.00 0.00 55.06 55.89 2kcm s HIS 70 Cb 0.09 0.16 0.87 0.00 1.11 0.00 0.00 32.58 34.81 2kcm s HIS 70 CO 0.72 -0.31 1.61 -2.39 -0.85 0.00 0.00 174.74 173.52 2kcm n HIS 71 N 2.24 0.15 -2.56 1.40 1.44 -1.26 -4.73 115.22 111.90 2kcm n HIS 71 Ca -0.16 -0.07 -0.36 0.00 -2.01 0.00 0.00 57.72 55.12 2kcm n HIS 71 Cb 0.57 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.64 2kcm n HIS 71 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kcm s HIS 72 N -1.85 3.23 -0.02 -1.40 3.76 -1.26 -2.87 115.29 114.87 2kcm s HIS 72 Ca 0.32 1.63 0.00 0.00 -0.15 0.00 0.00 55.06 56.87 2kcm s HIS 72 Cb 0.17 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.76 2kcm s HIS 72 CO 0.26 -0.62 0.00 1.58 -0.85 0.00 0.00 174.74 175.12 2kcm n HIS 73 N -0.23 -0.01 0.00 1.40 -0.00 -1.26 -5.17 115.22 109.95 2kcm n HIS 73 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2kcm n HIS 73 Cb 0.50 -1.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.98 2kcm n HIS 73 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92