#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 2.68 0.02 0.03 1.02 -1.26 -2.22 119.74 120.01 2kcm s LYS 2 Ca 0.00 -0.85 -0.06 0.00 0.02 0.00 0.00 55.97 55.08 2kcm s LYS 2 Cb 0.00 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 2kcm s LYS 2 CO 0.00 0.52 0.29 0.41 -0.92 0.00 0.00 175.35 175.65 2kcm n GLY 3 N 0.23 0.86 2.91 -3.33 0.00 -1.19 -3.34 105.19 101.32 2kcm n GLY 3 Ca -0.09 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.01 0.57 -0.54 1.61 2.20 0.12 -2.52 119.74 119.18 2kcm s LYS 4 Ca 0.07 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 2kcm s LYS 4 Cb -0.00 -0.60 0.02 0.00 -1.51 0.00 0.00 37.83 35.74 2kcm s LYS 4 CO 0.01 -0.00 1.29 0.54 -0.36 0.00 0.00 175.35 176.83 2kcm s VAL 5 N 0.48 3.94 0.13 4.02 0.11 -1.10 0.45 120.40 128.43 2kcm s VAL 5 Ca -0.06 0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 59.76 2kcm s VAL 5 Cb -0.09 -4.54 -0.11 0.00 -1.53 0.00 0.00 36.38 30.11 2kcm s VAL 5 CO -0.00 -1.16 1.39 1.62 -3.33 0.00 0.00 175.10 173.61 2kcm h VAL 6 N 6.29 1.29 -2.75 2.04 3.04 -1.88 -3.12 116.25 121.16 2kcm h VAL 6 Ca -0.26 -1.85 -0.04 0.00 -1.01 0.00 0.00 66.70 63.54 2kcm h VAL 6 Cb 1.08 1.80 -0.14 0.00 -2.01 0.00 0.00 31.29 32.01 2kcm h VAL 6 CO 1.16 0.59 0.16 -0.55 -1.01 0.00 0.00 177.57 177.93 2kcm s SER 7 N -7.00 -0.55 -0.27 3.17 0.15 -1.06 -4.73 113.70 103.40 2kcm s SER 7 Ca -0.10 0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 2kcm s SER 7 Cb 0.10 0.56 0.16 0.00 -1.71 0.00 0.00 66.02 65.13 2kcm s SER 7 CO 0.89 -0.84 0.47 -0.47 1.20 0.00 0.00 173.24 174.49 2kcm s TYR 8 N -2.94 -1.17 -0.25 3.44 5.04 -1.26 -2.39 117.35 117.83 2kcm s TYR 8 Ca -0.03 1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2kcm s TYR 8 Cb -0.01 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.56 2kcm s TYR 8 CO -0.06 -0.80 -0.03 -0.51 -1.34 0.00 0.00 175.55 172.81 2kcm s LEU 9 N 2.68 3.20 0.44 6.97 1.43 -1.26 -4.96 118.68 127.18 2kcm s LEU 9 Ca 0.16 -0.70 0.22 0.00 -1.03 0.00 0.00 54.13 52.78 2kcm s LEU 9 Cb -0.15 -1.72 0.99 0.00 0.03 0.00 0.00 46.19 45.34 2kcm s LEU 9 CO -0.18 -0.11 1.87 0.00 0.23 0.00 0.00 176.35 178.16 2kcm h ALA 10 N 8.08 1.13 -0.47 4.21 0.00 -1.92 -2.73 119.26 127.55 2kcm h ALA 10 Ca -0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2kcm h ALA 10 Cb 1.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kcm h ALA 10 CO 0.59 0.32 0.12 0.00 0.00 0.00 0.00 179.25 180.28 2kcm h ALA 11 N 1.75 1.33 -0.29 0.00 0.00 -1.93 -0.42 119.26 119.70 2kcm h ALA 11 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kcm h ALA 11 Cb 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kcm h ALA 11 CO 0.03 0.48 0.00 1.63 0.00 0.00 0.00 179.25 181.39 2kcm n LYS 12 N -4.31 1.88 -0.16 0.00 4.01 -1.04 -4.87 118.16 113.68 2kcm n LYS 12 Ca 0.03 -1.34 0.00 0.00 -0.51 0.00 0.00 58.31 56.49 2kcm n LYS 12 Cb 0.20 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kcm n LYS 13 N 0.57 0.00 -3.59 1.97 5.02 -0.17 -4.79 118.16 117.18 2kcm n LYS 13 Ca 0.15 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2kcm n LYS 13 Cb 0.35 -3.98 -0.02 0.00 -0.02 0.00 0.00 35.03 31.37 2kcm n LYS 13 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2kcm s TYR 14 N -1.17 -0.38 0.00 2.13 -0.85 -1.17 -4.11 117.35 111.81 2kcm s TYR 14 Ca 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 2kcm s TYR 14 Cb 0.00 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.95 2kcm s TYR 14 CO 0.00 -0.92 0.00 0.41 -1.52 0.00 0.00 175.55 173.52 2kcm n GLY 15 N -0.39 4.93 3.09 5.49 0.00 -1.25 -4.12 105.19 112.93 2kcm n GLY 15 Ca -0.11 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 3.28 0.16 -0.04 1.61 0.08 -1.00 -4.37 117.98 117.71 2kcm s PHE 16 Ca 0.00 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.68 2kcm s PHE 16 Cb 0.00 -0.12 0.01 0.00 -0.57 0.00 0.00 43.02 42.34 2kcm s PHE 16 CO 0.00 -0.31 -0.07 0.42 -0.10 0.00 0.00 175.22 175.16 2kcm s ILE 17 N -1.98 0.70 -0.48 0.64 1.01 -1.19 -2.56 121.20 117.35 2kcm s ILE 17 Ca -0.10 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.09 2kcm s ILE 17 Cb -0.05 -0.66 0.05 0.00 0.01 0.00 0.00 42.46 41.81 2kcm s ILE 17 CO -0.02 0.24 0.54 -1.58 0.00 0.00 0.00 174.94 174.13 2kcm s GLN 18 N 0.49 3.10 0.79 2.79 0.74 0.17 -3.21 119.66 124.54 2kcm s GLN 18 Ca -0.07 -0.91 -0.11 0.00 0.05 0.00 0.00 55.36 54.31 2kcm s GLN 18 Cb -0.11 -4.07 0.06 0.00 1.10 0.00 0.00 33.01 30.00 2kcm s GLN 18 CO 0.01 -1.09 1.09 0.20 -0.55 0.00 0.00 175.29 174.94 2kcm s GLY 19 N 2.44 1.63 0.22 2.59 0.00 -1.09 0.13 107.32 113.24 2kcm s GLY 19 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.65 2kcm s GLY 19 CO 0.12 0.28 1.77 -0.55 0.00 0.00 0.00 173.10 174.72 2kcm h ASP 20 N -1.07 1.04 -0.01 1.64 3.32 -1.88 -1.27 116.42 118.18 2kcm h ASP 20 Ca -0.47 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.40 2kcm h ASP 20 Cb 1.26 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2kcm h ASP 20 CO 0.58 0.95 0.00 0.47 -1.72 0.00 0.00 179.24 179.52 2kcm n ASP 21 N -4.26 0.36 0.00 6.45 8.00 -1.26 -4.85 116.55 120.98 2kcm n ASP 21 Ca 0.06 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2kcm n ASP 21 Cb 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.00 0.64 3.63 0.44 0.00 -0.48 -5.03 105.19 105.39 2kcm n GLY 22 Ca 0.21 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.87 4.09 0.42 1.61 0.41 -1.26 -4.74 118.70 118.37 2kcm s GLU 23 Ca 0.00 0.60 -0.23 0.00 -0.41 0.00 0.00 54.97 54.94 2kcm s GLU 23 Cb 0.00 -3.66 -0.09 0.00 -1.78 0.00 0.00 34.13 28.59 2kcm s GLU 23 CO 0.00 -0.47 1.02 -1.54 -0.49 0.00 0.00 175.26 173.78 2kcm s SER 24 N 1.48 6.71 -0.01 -0.19 1.04 -1.26 -2.68 113.70 118.79 2kcm s SER 24 Ca 0.28 1.93 0.01 0.00 0.48 0.00 0.00 55.95 58.66 2kcm s SER 24 Cb -0.15 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2kcm s SER 24 CO 0.09 -0.52 -0.04 -0.31 0.98 0.00 0.00 173.24 173.44 2kcm s TYR 25 N -1.84 0.44 0.20 5.02 2.02 -1.20 -4.57 117.35 117.43 2kcm s TYR 25 Ca 0.61 -0.08 -0.25 0.00 -0.37 0.00 0.00 57.07 56.97 2kcm s TYR 25 Cb -0.18 -0.33 -0.08 0.00 -0.40 0.00 0.00 41.96 40.97 2kcm s TYR 25 CO 0.22 -0.04 0.82 -0.06 -1.57 0.00 0.00 175.55 174.92 2kcm s PHE 26 N 0.15 3.86 -0.25 2.71 0.08 -1.26 -3.16 117.98 120.11 2kcm s PHE 26 Ca -0.01 1.67 -0.03 0.00 0.12 0.00 0.00 56.93 58.67 2kcm s PHE 26 Cb -0.05 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.61 2kcm s PHE 26 CO -0.00 0.45 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.37 2kcm s LEU 27 N -1.37 3.20 0.08 -0.37 0.20 -1.26 -3.57 118.68 115.60 2kcm s LEU 27 Ca 0.39 -0.68 0.10 0.00 0.69 0.00 0.00 54.13 54.64 2kcm s LEU 27 Cb -0.22 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.78 2kcm s LEU 27 CO 0.26 -0.10 -0.26 -1.00 -0.29 0.00 0.00 176.35 174.96 2kcm s HIS 28 N 1.41 2.33 0.23 5.38 3.76 -1.26 -3.93 115.29 123.21 2kcm s HIS 28 Ca 0.03 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.48 2kcm s HIS 28 Cb -0.16 -1.33 0.22 0.00 1.11 0.00 0.00 32.58 32.41 2kcm s HIS 28 CO -0.03 0.22 1.78 0.74 -0.85 0.00 0.00 174.74 176.60 2kcm h PHE 29 N 4.39 1.13 0.00 1.40 0.04 -1.98 -1.82 116.94 120.10 2kcm h PHE 29 Ca -0.48 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.19 2kcm h PHE 29 Cb 1.15 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.97 2kcm h PHE 29 CO 0.53 0.88 0.11 1.03 -0.60 0.00 0.00 178.31 180.26 2kcm h SER 30 N 1.06 0.00 0.33 2.17 0.87 -1.95 0.21 113.55 116.24 2kcm h SER 30 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2kcm h SER 30 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2kcm h SER 30 CO -0.01 0.00 -0.41 -0.62 -0.53 0.00 0.00 176.83 175.26 2kcm n GLU 31 N -2.78 0.44 -2.66 2.24 -0.58 -0.68 -4.88 120.64 111.73 2kcm n GLU 31 Ca -0.02 -0.27 -0.40 0.00 -0.42 0.00 0.00 57.16 56.04 2kcm n GLU 31 Cb 0.16 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.49 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcm s LEU 32 N -2.75 4.57 0.19 -4.62 1.43 0.72 -3.89 118.68 114.33 2kcm s LEU 32 Ca 0.17 1.99 -0.10 0.00 -1.03 0.00 0.00 54.13 55.17 2kcm s LEU 32 Cb 0.18 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.90 2kcm s LEU 32 CO 0.62 -0.01 1.73 -0.07 0.23 0.00 0.00 176.35 178.85 2kcm h LEU 33 N 4.59 0.95 -7.59 1.79 3.38 -1.87 -3.42 115.31 113.15 2kcm h LEU 33 Ca -0.45 -0.20 -0.40 0.00 0.09 0.00 0.00 57.88 56.93 2kcm h LEU 33 Cb 1.21 -0.25 -0.36 0.00 0.09 0.00 0.00 40.66 41.35 2kcm h LEU 33 CO 0.69 0.89 -0.76 -1.81 0.09 0.00 0.00 178.44 177.55 2kcm s ASP 34 N -6.26 1.07 0.09 -0.43 1.01 -1.26 -4.99 116.67 105.90 2kcm s ASP 34 Ca -0.13 -0.08 0.11 0.00 0.71 0.00 0.00 52.55 53.17 2kcm s ASP 34 Cb 0.14 -0.37 0.50 0.00 1.01 0.00 0.00 42.92 44.19 2kcm s ASP 34 CO 0.82 -0.13 1.33 0.29 0.21 0.00 0.00 175.17 177.69 2kcm n LYS 35 N 4.55 0.05 0.10 8.23 4.76 -1.26 -0.55 118.16 134.04 2kcm n LYS 35 Ca -0.17 0.45 0.13 0.00 -2.87 0.00 0.00 58.31 55.84 2kcm n LYS 35 Cb 0.50 -1.63 0.36 0.00 -1.84 0.00 0.00 35.03 32.43 2kcm n LYS 35 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kcm n LYS 36 N -1.73 0.27 0.00 1.97 4.76 -1.26 -3.00 118.16 119.18 2kcm n LYS 36 Ca 0.01 0.20 0.13 0.00 -2.87 0.00 0.00 58.31 55.77 2kcm n LYS 36 Cb 0.08 -1.79 0.66 0.00 -1.84 0.00 0.00 35.03 32.14 2kcm n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kcm n ASP 37 N -2.26 0.00 -0.18 4.39 8.00 0.29 -3.60 116.55 123.20 2kcm n ASP 37 Ca 0.05 -0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.34 2kcm n ASP 37 Cb 0.43 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 2kcm n ASP 37 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2kcm h GLU 38 N 0.00 0.40 0.00 -1.24 4.81 -1.69 0.27 114.58 117.13 2kcm h GLU 38 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kcm h GLU 38 Cb 0.20 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2kcm h GLU 38 CO 0.00 0.27 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 2kcm n GLY 39 N -1.27 -1.09 0.44 1.92 0.00 -1.24 -2.43 105.19 101.53 2kcm n GLY 39 Ca 0.06 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2kcm n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kcm n LYS 40 N -1.22 1.24 -2.29 1.61 4.81 0.91 -4.93 118.16 118.29 2kcm n LYS 40 Ca 0.14 -0.89 -0.35 0.00 -0.87 0.00 0.00 58.31 56.34 2kcm n LYS 40 Cb 0.18 -1.48 -0.00 0.00 0.02 0.00 0.00 35.03 33.75 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kcm s LEU 41 N -2.38 3.82 -0.04 3.14 1.43 -0.94 -4.96 118.68 118.75 2kcm s LEU 41 Ca 0.24 2.19 0.04 0.00 -1.03 0.00 0.00 54.13 55.56 2kcm s LEU 41 Cb 0.19 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.91 2kcm s LEU 41 CO 0.49 -1.11 -0.15 0.54 0.23 0.00 0.00 176.35 176.35 2kcm s VAL 42 N -1.73 1.30 -0.13 -1.59 0.11 -1.26 -5.03 120.40 112.07 2kcm s VAL 42 Ca 0.70 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 2kcm s VAL 42 Cb -0.24 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2kcm s VAL 42 CO 0.28 0.38 0.24 -0.75 -3.33 0.00 0.00 175.10 171.92 2kcm s LYS 43 N 0.15 4.00 0.00 1.54 2.20 -1.26 -4.23 119.74 122.14 2kcm s LYS 43 Ca -0.05 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 2kcm s LYS 43 Cb -0.12 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2kcm s LYS 43 CO 0.02 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 2kcm n GLY 44 N 2.84 2.27 4.02 5.54 0.00 -1.18 -5.02 105.19 113.66 2kcm n GLY 44 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcm s SER 45 N -2.85 4.90 0.36 1.61 0.15 -1.26 -4.82 113.70 111.78 2kcm s SER 45 Ca 0.00 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 2kcm s SER 45 Cb 0.00 0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.26 2kcm s SER 45 CO 0.00 -1.46 0.91 -0.04 1.20 0.00 0.00 173.24 173.84 2kcm s MET 46 N -4.81 4.33 0.08 5.44 -1.94 -1.26 -2.72 119.30 118.42 2kcm s MET 46 Ca 0.63 1.12 0.02 0.00 -1.71 0.00 0.00 55.69 55.74 2kcm s MET 46 Cb -0.06 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 2kcm s MET 46 CO 0.40 0.13 -0.07 0.14 -0.01 0.00 0.00 175.02 175.62 2kcm s VAL 47 N -1.91 0.63 -0.11 -6.03 -7.23 -1.05 -4.71 120.40 99.99 2kcm s VAL 47 Ca 0.56 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 2kcm s VAL 47 Cb -0.13 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2kcm s VAL 47 CO 0.18 -0.78 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.06 2kcm s HIS 48 N -3.17 2.80 0.09 2.82 3.76 -0.57 -3.16 115.29 117.86 2kcm s HIS 48 Ca 0.07 -0.50 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 2kcm s HIS 48 Cb 0.02 -1.79 0.04 0.00 1.11 0.00 0.00 32.58 31.96 2kcm s HIS 48 CO -0.04 -0.10 0.44 -0.59 -0.85 0.00 0.00 174.74 173.60 2kcm s PHE 49 N 0.06 -0.28 0.08 1.40 -0.12 -0.94 0.51 117.98 118.70 2kcm s PHE 49 Ca -0.05 0.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.96 2kcm s PHE 49 Cb -0.14 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 2kcm s PHE 49 CO 0.04 -0.67 0.16 -0.51 -0.05 0.00 0.00 175.22 174.19 2kcm s ASP 50 N -2.44 5.96 0.83 1.98 1.11 -1.20 -3.52 116.67 119.40 2kcm s ASP 50 Ca -0.01 0.12 -0.11 0.00 0.18 0.00 0.00 52.55 52.73 2kcm s ASP 50 Cb 0.01 -1.73 0.09 0.00 1.07 0.00 0.00 42.92 42.36 2kcm s ASP 50 CO -0.08 0.15 1.09 -2.16 1.18 0.00 0.00 175.17 175.36 2kcm s PRO 51 N -2.56 1.77 0.10 8.23 0.04 -1.26 -3.43 135.00 137.89 2kcm s PRO 51 Ca 0.32 0.85 0.09 0.00 0.04 0.00 0.00 61.00 62.30 2kcm s PRO 51 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2kcm s PRO 51 CO 0.25 -1.89 -0.23 0.95 0.04 0.00 0.00 177.00 176.12 2kcm s THR 52 N -2.99 1.86 0.18 1.26 -4.23 -1.24 -4.80 115.64 105.68 2kcm s THR 52 Ca 0.62 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 59.42 2kcm s THR 52 Cb -0.17 -1.67 0.14 0.00 1.34 0.00 0.00 72.50 72.14 2kcm s THR 52 CO 0.56 0.02 1.66 -0.65 -0.54 0.00 0.00 174.62 175.67 2kcm h PRO 53 N 4.13 0.03 -3.91 3.99 0.11 -1.98 -3.41 132.00 130.95 2kcm h PRO 53 Ca -0.47 -0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.25 2kcm h PRO 53 Cb 1.17 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 2kcm h PRO 53 CO 0.40 0.02 1.39 -2.37 -0.21 0.00 0.00 178.00 177.23 2kcm n THR 54 N -5.31 0.00 0.52 -1.15 5.66 -1.26 -4.71 114.28 108.02 2kcm n THR 54 Ca 0.04 -0.02 0.13 0.00 -3.05 0.00 0.00 64.05 61.15 2kcm n THR 54 Cb 0.26 -0.37 0.38 0.00 -1.55 0.00 0.00 70.33 69.05 2kcm n THR 54 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2kcm h PRO 55 N 9.35 0.00 -3.84 1.09 0.13 -2.00 -3.28 132.00 133.45 2kcm h PRO 55 Ca -0.04 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.46 2kcm h PRO 55 Cb 1.02 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.74 2kcm h PRO 55 CO 1.10 0.00 -0.69 0.21 -0.23 0.00 0.00 178.00 178.39 2kcm s LYS 56 N -3.16 1.59 0.00 0.86 2.47 -1.26 -4.65 119.74 115.59 2kcm s LYS 56 Ca 0.09 -2.12 0.00 0.00 -1.56 0.00 0.00 55.97 52.38 2kcm s LYS 56 Cb 0.11 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.45 2kcm s LYS 56 CO 0.59 -1.04 0.00 0.41 0.16 0.00 0.00 175.35 175.47 2kcm n GLY 57 N 3.75 1.88 1.63 5.54 0.00 -1.26 -5.08 105.19 111.65 2kcm n GLY 57 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2kcm n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcm n LEU 58 N 0.00 -1.85 -3.44 0.99 4.77 -1.24 -4.72 117.00 111.51 2kcm n LEU 58 Ca 0.00 2.91 -0.13 0.00 -0.03 0.00 0.00 56.01 58.77 2kcm n LEU 58 Cb 0.00 -3.21 -0.03 0.00 -2.33 0.00 0.00 43.42 37.86 2kcm n LEU 58 CO 0.00 -0.33 0.42 0.00 -1.33 0.00 0.00 177.39 176.14 2kcm s ALA 59 N -4.70 -1.63 -0.09 -1.18 0.00 -1.26 -4.19 121.76 108.71 2kcm s ALA 59 Ca 0.00 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.62 2kcm s ALA 59 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2kcm s ALA 59 CO 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 175.76 174.82 2kcm s ALA 60 N -3.38 2.03 0.08 0.00 0.00 -1.23 -3.74 121.76 115.53 2kcm s ALA 60 Ca -0.00 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2kcm s ALA 60 Cb -0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2kcm s ALA 60 CO -0.10 0.28 -0.18 0.15 0.00 0.00 0.00 175.76 175.91 2kcm s LYS 61 N 0.34 0.99 -1.17 0.00 1.02 -1.22 -4.81 119.74 114.89 2kcm s LYS 61 Ca -0.17 -1.04 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 2kcm s LYS 61 Cb -0.17 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.98 2kcm s LYS 61 CO 0.08 0.26 0.83 0.00 -0.92 0.00 0.00 175.35 175.60 2kcm n ALA 62 N 1.24 -2.30 -2.03 5.17 0.00 -1.25 -3.21 120.51 118.12 2kcm n ALA 62 Ca -0.20 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 2kcm n ALA 62 Cb 0.54 -3.80 -0.04 0.00 0.00 0.00 0.00 19.45 16.15 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 -3.49 3.84 0.11 0.00 1.01 -1.26 -4.28 121.20 117.12 2kcm s ILE 63 Ca 0.27 1.61 0.07 0.00 0.00 0.00 0.00 60.65 62.60 2kcm s ILE 63 Cb -0.06 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2kcm s ILE 63 CO 0.79 0.29 -0.17 -0.44 0.00 0.00 0.00 174.94 175.41 2kcm s SER 64 N -0.19 2.22 -0.44 3.58 0.01 0.18 -4.63 113.70 114.43 2kcm s SER 64 Ca 0.49 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2kcm s SER 64 Cb -0.30 -0.10 0.15 0.00 0.21 0.00 0.00 66.02 65.98 2kcm s SER 64 CO 0.35 -0.04 0.29 -1.48 0.41 0.00 0.00 173.24 172.78 2kcm s LEU 65 N -2.11 2.12 0.00 2.44 0.05 -1.26 -1.52 118.68 118.41 2kcm s LEU 65 Ca 0.06 -2.81 0.28 0.00 0.05 0.00 0.00 54.13 51.72 2kcm s LEU 65 Cb -0.08 -0.76 1.50 0.00 -2.05 0.00 0.00 46.19 44.80 2kcm s LEU 65 CO 0.04 -0.22 1.99 -0.81 -0.55 0.00 0.00 176.35 176.79 2kcm n PRO 66 N 3.26 1.21 -3.63 1.48 -0.04 -1.26 -4.79 135.00 131.23 2kcm n PRO 66 Ca 0.17 -0.31 -0.37 0.00 -0.04 0.00 0.00 63.50 62.96 2kcm n PRO 66 Cb 0.39 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.91 4.14 0.11 1.53 1.02 -1.26 -5.08 118.68 117.23 2kcm s LEU 67 Ca 0.41 0.20 -0.07 0.00 0.02 0.00 0.00 54.13 54.69 2kcm s LEU 67 Cb 0.20 -2.17 -0.06 0.00 0.02 0.00 0.00 46.19 44.18 2kcm s LEU 67 CO 0.33 0.06 0.39 -1.83 0.02 0.00 0.00 176.35 175.32 2kcm s GLU 68 N 0.98 3.68 0.14 1.70 -1.05 -1.26 -4.89 118.70 118.01 2kcm s GLU 68 Ca 0.10 0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.65 2kcm s GLU 68 Cb -0.13 -2.92 -0.08 0.00 -0.44 0.00 0.00 34.13 30.56 2kcm s GLU 68 CO 0.04 0.51 1.25 -1.58 0.95 0.00 0.00 175.26 176.43 2kcm s HIS 69 N -1.53 3.37 0.00 4.83 5.65 -1.26 -4.95 115.29 121.40 2kcm s HIS 69 Ca 0.37 1.28 0.00 0.00 0.25 0.00 0.00 55.06 56.96 2kcm s HIS 69 Cb -0.13 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 2kcm s HIS 69 CO 0.21 -1.53 0.00 1.58 -0.65 0.00 0.00 174.74 174.35 2kcm n HIS 70 N 3.12 0.00 -3.18 3.88 -0.00 -1.26 -5.06 115.22 112.71 2kcm n HIS 70 Ca 0.07 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.01 2kcm n HIS 70 Cb 0.44 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.34 2kcm n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcm n HIS 71 N 0.00 -3.09 -2.77 1.57 -0.00 -1.26 -4.90 115.22 104.76 2kcm n HIS 71 Ca 0.00 1.27 -0.40 0.00 0.46 0.00 0.00 57.72 59.04 2kcm n HIS 71 Cb 0.00 -2.94 -0.05 0.00 -0.12 0.00 0.00 29.99 26.88 2kcm n HIS 71 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcm s HIS 72 N -2.05 3.87 0.13 1.57 3.76 -1.26 -4.96 115.29 116.36 2kcm s HIS 72 Ca 0.32 1.81 -0.13 0.00 -0.15 0.00 0.00 55.06 56.90 2kcm s HIS 72 Cb -0.05 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.62 2kcm s HIS 72 CO 0.82 0.32 1.54 0.45 -0.85 0.00 0.00 174.74 177.02 2kcm h HIS 73 N 5.00 0.91 -0.01 1.40 3.86 -2.07 -3.58 115.15 120.67 2kcm h HIS 73 Ca -0.44 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 2kcm h HIS 73 Cb 1.21 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2kcm h HIS 73 CO 0.63 0.93 0.00 -2.39 0.86 0.00 0.00 177.93 177.97