#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 2.24 0.00 0.03 -2.85 -1.26 -4.52 119.74 113.37 2kcm s LYS 2 Ca 0.00 -1.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.01 2kcm s LYS 2 Cb 0.00 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 2kcm s LYS 2 CO 0.00 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.12 2kcm n GLY 3 N -1.94 2.82 3.10 0.59 0.00 -1.22 -2.56 105.19 105.98 2kcm n GLY 3 Ca 0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 1.10 0.64 -0.16 1.61 1.02 -0.05 -2.84 119.74 121.06 2kcm s LYS 4 Ca 0.00 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 2kcm s LYS 4 Cb 0.00 -0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2kcm s LYS 4 CO 0.00 0.10 0.99 0.54 -0.92 0.00 0.00 175.35 176.06 2kcm s VAL 5 N -1.32 4.77 -0.10 3.17 0.11 -1.13 0.32 120.40 126.21 2kcm s VAL 5 Ca -0.07 1.97 0.12 0.00 -2.93 0.00 0.00 61.98 61.07 2kcm s VAL 5 Cb -0.10 -4.28 -0.24 0.00 -1.53 0.00 0.00 36.38 30.23 2kcm s VAL 5 CO 0.01 -0.05 0.45 0.55 -3.33 0.00 0.00 175.10 172.73 2kcm n VAL 6 N 4.83 1.56 -3.59 2.04 3.14 -1.15 -3.83 118.33 121.33 2kcm n VAL 6 Ca 0.09 -0.79 -0.17 0.00 -2.96 0.00 0.00 64.34 60.51 2kcm n VAL 6 Cb 0.48 -0.95 -0.07 0.00 -1.06 0.00 0.00 33.84 32.24 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 -6.02 -0.54 -0.29 6.55 0.15 -1.03 -4.85 113.70 107.67 2kcm s SER 7 Ca -0.09 0.60 0.01 0.00 0.70 0.00 0.00 55.95 57.18 2kcm s SER 7 Cb 0.07 0.53 0.19 0.00 -1.71 0.00 0.00 66.02 65.11 2kcm s SER 7 CO 0.81 -0.54 0.57 -0.47 1.20 0.00 0.00 173.24 174.81 2kcm s TYR 8 N -1.12 -1.59 -0.39 3.44 5.04 -1.26 -2.18 117.35 119.29 2kcm s TYR 8 Ca -0.11 1.35 -0.14 0.00 -2.44 0.00 0.00 57.07 55.74 2kcm s TYR 8 Cb -0.02 0.40 0.02 0.00 0.35 0.00 0.00 41.96 42.71 2kcm s TYR 8 CO 0.08 -0.94 0.27 -0.51 -1.34 0.00 0.00 175.55 173.10 2kcm s LEU 9 N 2.80 4.91 0.24 6.97 1.02 -1.13 -4.94 118.68 128.55 2kcm s LEU 9 Ca 0.16 -0.85 -0.03 0.00 0.02 0.00 0.00 54.13 53.43 2kcm s LEU 9 Cb -0.13 -2.12 0.26 0.00 0.02 0.00 0.00 46.19 44.21 2kcm s LEU 9 CO -0.23 -0.40 1.69 0.00 0.02 0.00 0.00 176.35 177.43 2kcm h ALA 10 N 8.56 0.99 -0.80 4.21 0.00 -1.95 0.37 119.26 130.64 2kcm h ALA 10 Ca -0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2kcm h ALA 10 Cb 1.12 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2kcm h ALA 10 CO 0.70 0.60 0.38 0.00 0.00 0.00 0.00 179.25 180.94 2kcm h ALA 11 N 1.16 1.17 -0.54 0.00 0.00 -1.96 -1.93 119.26 117.16 2kcm h ALA 11 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kcm h ALA 11 Cb 0.60 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kcm h ALA 11 CO 0.04 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.55 2kcm n LYS 12 N -4.31 2.55 -2.18 0.00 5.02 -1.07 -4.92 118.16 113.24 2kcm n LYS 12 Ca 0.08 -2.37 -0.03 0.00 -2.02 0.00 0.00 58.31 53.97 2kcm n LYS 12 Cb 0.14 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.49 -2.34 -3.91 1.97 2.85 0.13 -4.82 118.16 113.53 2kcm n LYS 13 Ca 0.21 0.01 -0.12 0.00 -1.05 0.00 0.00 58.31 57.36 2kcm n LYS 13 Cb 0.59 -3.40 -0.14 0.00 -0.65 0.00 0.00 35.03 31.43 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 -1.62 0.07 0.00 5.58 5.04 -1.08 -4.52 117.35 120.82 2kcm s TYR 14 Ca 0.06 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.64 2kcm s TYR 14 Cb -0.04 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.23 2kcm s TYR 14 CO 0.08 -0.02 0.00 0.41 -1.34 0.00 0.00 175.55 174.68 2kcm n GLY 15 N 2.94 2.36 3.08 8.97 0.00 -1.26 -2.83 105.19 118.46 2kcm n GLY 15 Ca -0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.61 0.53 -0.05 1.61 0.08 -0.93 -4.04 117.98 111.58 2kcm s PHE 16 Ca 0.00 -0.93 0.03 0.00 0.12 0.00 0.00 56.93 56.15 2kcm s PHE 16 Cb 0.00 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.09 2kcm s PHE 16 CO 0.00 -0.30 -0.13 0.42 -0.10 0.00 0.00 175.22 175.11 2kcm s ILE 17 N -3.35 1.13 -0.59 0.64 1.01 -1.24 -2.47 121.20 116.33 2kcm s ILE 17 Ca 0.03 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2kcm s ILE 17 Cb 0.04 -1.01 0.05 0.00 0.01 0.00 0.00 42.46 41.55 2kcm s ILE 17 CO -0.07 0.34 1.00 -1.58 0.00 0.00 0.00 174.94 174.63 2kcm s GLN 18 N 0.40 3.29 0.76 2.79 0.74 0.15 -3.37 119.66 124.42 2kcm s GLN 18 Ca -0.09 -0.34 -0.12 0.00 0.05 0.00 0.00 55.36 54.86 2kcm s GLN 18 Cb -0.13 -4.10 0.05 0.00 1.10 0.00 0.00 33.01 29.93 2kcm s GLN 18 CO 0.03 -1.63 1.11 0.20 -0.55 0.00 0.00 175.29 174.45 2kcm s GLY 19 N 3.10 1.83 0.33 2.59 0.00 -1.06 -0.87 107.32 113.25 2kcm s GLY 19 Ca 0.30 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.48 2kcm s GLY 19 CO 0.17 0.77 1.85 1.29 0.00 0.00 0.00 173.10 177.19 2kcm h ASP 20 N -0.88 0.44 -0.17 1.64 2.03 -1.81 -0.69 116.42 116.98 2kcm h ASP 20 Ca -0.44 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 2kcm h ASP 20 Cb 1.24 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2kcm h ASP 20 CO 0.51 0.56 0.00 -0.67 -1.03 0.00 0.00 179.24 178.61 2kcm n ASP 21 N -4.25 1.25 0.00 4.15 2.03 -1.26 -4.86 116.55 113.62 2kcm n ASP 21 Ca 0.01 -1.77 0.00 0.00 0.52 0.00 0.00 54.79 53.55 2kcm n ASP 21 Cb 0.28 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcm n GLY 22 N 0.98 0.48 3.59 0.27 0.00 -0.27 -5.02 105.19 105.23 2kcm n GLY 22 Ca 0.13 -0.68 -0.40 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 -1.27 3.88 0.49 1.61 0.41 -1.26 -4.75 118.70 117.81 2kcm s GLU 23 Ca 0.00 0.07 -0.20 0.00 -0.41 0.00 0.00 54.97 54.42 2kcm s GLU 23 Cb 0.00 -3.72 -0.08 0.00 -1.78 0.00 0.00 34.13 28.55 2kcm s GLU 23 CO 0.00 -0.45 1.05 -1.12 -0.49 0.00 0.00 175.26 174.25 2kcm s SER 24 N 1.65 6.29 -0.01 -0.19 0.01 -1.26 -2.57 113.70 117.62 2kcm s SER 24 Ca 0.19 1.96 0.04 0.00 1.31 0.00 0.00 55.95 59.45 2kcm s SER 24 Cb -0.16 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 2kcm s SER 24 CO 0.11 -0.82 -0.14 -0.31 0.41 0.00 0.00 173.24 172.49 2kcm s TYR 25 N -1.94 1.26 0.36 2.43 2.02 -1.22 -4.69 117.35 115.58 2kcm s TYR 25 Ca 0.67 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.87 2kcm s TYR 25 Cb -0.17 -0.82 -0.09 0.00 -0.40 0.00 0.00 41.96 40.47 2kcm s TYR 25 CO 0.21 -0.04 1.08 -0.06 -1.57 0.00 0.00 175.55 175.17 2kcm s PHE 26 N -0.27 3.34 -0.18 2.71 0.08 -1.26 -3.61 117.98 118.78 2kcm s PHE 26 Ca 0.04 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.75 2kcm s PHE 26 Cb -0.06 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.22 2kcm s PHE 26 CO -0.00 -0.68 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.15 2kcm s LEU 27 N -2.28 2.02 0.21 -0.37 0.20 -1.26 -3.97 118.68 113.23 2kcm s LEU 27 Ca 0.54 -0.72 -0.01 0.00 0.69 0.00 0.00 54.13 54.63 2kcm s LEU 27 Cb -0.26 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 2kcm s LEU 27 CO 0.33 -0.11 0.15 -2.28 -0.29 0.00 0.00 176.35 174.15 2kcm s HIS 28 N 1.44 1.14 0.16 5.38 2.46 -1.26 -4.07 115.29 120.54 2kcm s HIS 28 Ca 0.01 -1.36 -0.14 0.00 0.47 0.00 0.00 55.06 54.05 2kcm s HIS 28 Cb -0.15 -0.53 0.05 0.00 -0.13 0.00 0.00 32.58 31.82 2kcm s HIS 28 CO -0.09 -0.66 1.75 0.74 -2.47 0.00 0.00 174.74 174.00 2kcm h PHE 29 N 2.59 0.73 -0.01 3.88 -1.00 -1.96 -1.61 116.94 119.56 2kcm h PHE 29 Ca -0.35 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2kcm h PHE 29 Cb 1.25 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 2kcm h PHE 29 CO 0.39 0.57 0.22 0.77 -1.61 0.00 0.00 178.31 178.65 2kcm h SER 30 N 0.68 0.00 0.28 2.17 0.02 -1.99 0.56 113.55 115.27 2kcm h SER 30 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2kcm h SER 30 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2kcm h SER 30 CO -0.02 0.00 -0.36 -0.62 -1.14 0.00 0.00 176.83 174.68 2kcm n GLU 31 N -2.98 0.62 -3.26 3.45 1.02 -0.61 -4.85 120.64 114.02 2kcm n GLU 31 Ca -0.02 -0.38 -0.38 0.00 -0.02 0.00 0.00 57.16 56.35 2kcm n GLU 31 Cb 0.28 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.65 4.30 0.19 -4.62 1.43 0.19 -2.67 118.68 114.86 2kcm s LEU 32 Ca 0.20 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 2kcm s LEU 32 Cb 0.19 -2.78 0.12 0.00 0.03 0.00 0.00 46.19 43.74 2kcm s LEU 32 CO 0.58 0.00 1.77 -0.07 0.23 0.00 0.00 176.35 178.86 2kcm h LEU 33 N 6.54 0.93 -7.49 1.79 3.38 -1.85 -3.43 115.31 115.18 2kcm h LEU 33 Ca -0.42 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.14 2kcm h LEU 33 Cb 1.19 -0.24 -0.32 0.00 0.09 0.00 0.00 40.66 41.38 2kcm h LEU 33 CO 0.74 0.82 -0.65 -0.62 0.09 0.00 0.00 178.44 178.83 2kcm s ASP 34 N -6.16 -0.04 0.45 -0.43 -1.08 -1.26 -5.02 116.67 103.13 2kcm s ASP 34 Ca -0.13 0.19 0.12 0.00 -0.52 0.00 0.00 52.55 52.22 2kcm s ASP 34 Cb 0.14 0.09 1.02 0.00 -1.46 0.00 0.00 42.92 42.71 2kcm s ASP 34 CO 0.81 -0.13 2.04 0.11 0.52 0.00 0.00 175.17 178.52 2kcm h LYS 35 N 7.10 0.15 -0.67 4.34 6.56 -1.93 -1.43 116.57 130.68 2kcm h LYS 35 Ca -0.42 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.18 2kcm h LYS 35 Cb 1.14 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.74 2kcm h LYS 35 CO 0.45 0.20 0.44 0.87 -2.06 0.00 0.00 179.45 179.35 2kcm h LYS 36 N 0.15 0.81 0.00 3.15 1.57 -1.99 0.29 116.57 120.55 2kcm h LYS 36 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kcm h LYS 36 Cb 0.16 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2kcm h LYS 36 CO 0.01 0.54 0.00 -0.25 -0.57 0.00 0.00 179.45 179.17 2kcm n ASP 37 N -4.45 0.00 -0.29 0.86 8.00 -0.54 -2.71 116.55 117.43 2kcm n ASP 37 Ca 0.08 0.35 -0.04 0.00 0.71 0.00 0.00 54.79 55.88 2kcm n ASP 37 Cb 0.10 -0.41 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 1.04 0.00 -1.24 4.81 -0.47 -0.71 114.58 118.01 2kcm h GLU 38 Ca 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2kcm h GLU 38 Cb 0.16 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kcm h GLU 38 CO 0.00 0.71 -0.03 0.78 -0.73 0.00 0.00 179.01 179.74 2kcm h GLY 39 N 1.07 0.00 0.33 1.92 0.00 -1.67 -1.61 103.07 103.10 2kcm h GLY 39 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2kcm h GLY 39 CO -0.06 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.76 2kcm n LYS 40 N -3.18 1.29 -2.13 4.80 5.02 -0.28 -4.88 118.16 118.79 2kcm n LYS 40 Ca -0.01 -0.45 -0.37 0.00 -2.02 0.00 0.00 58.31 55.47 2kcm n LYS 40 Cb 0.25 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.02 3.86 -0.03 -0.35 1.43 -0.61 -4.97 118.68 115.98 2kcm s LEU 41 Ca 0.43 2.37 0.04 0.00 -1.03 0.00 0.00 54.13 55.94 2kcm s LEU 41 Cb 0.21 -4.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 2kcm s LEU 41 CO 0.36 -1.23 -0.16 0.54 0.23 0.00 0.00 176.35 176.09 2kcm s VAL 42 N -1.56 1.32 -0.13 -1.59 0.11 -1.26 -5.10 120.40 112.18 2kcm s VAL 42 Ca 0.70 -0.67 -0.07 0.00 -2.93 0.00 0.00 61.98 59.01 2kcm s VAL 42 Cb -0.30 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.39 2kcm s VAL 42 CO 0.35 0.38 0.11 -0.75 -3.33 0.00 0.00 175.10 171.86 2kcm s LYS 43 N -0.06 3.48 0.00 1.54 2.20 -1.26 -4.34 119.74 121.30 2kcm s LYS 43 Ca -0.01 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 2kcm s LYS 43 Cb -0.10 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2kcm s LYS 43 CO 0.01 0.69 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 2kcm n GLY 44 N 2.26 3.02 3.98 5.54 0.00 -1.25 -5.01 105.19 113.73 2kcm n GLY 44 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.48 3.93 0.33 1.61 0.01 -1.26 -4.84 113.70 113.00 2kcm s SER 45 Ca 0.00 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 56.90 2kcm s SER 45 Cb 0.00 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 2kcm s SER 45 CO 0.00 -2.16 0.75 -0.04 0.41 0.00 0.00 173.24 172.20 2kcm s MET 46 N -5.38 4.02 0.19 12.44 -1.94 -1.26 -2.86 119.30 124.52 2kcm s MET 46 Ca 0.69 0.70 0.02 0.00 -1.71 0.00 0.00 55.69 55.40 2kcm s MET 46 Cb -0.04 -2.42 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 2kcm s MET 46 CO 0.47 0.15 -0.00 0.14 -0.01 0.00 0.00 175.02 175.77 2kcm s VAL 47 N -1.99 0.80 -0.04 -6.03 -7.23 -1.13 -4.75 120.40 100.03 2kcm s VAL 47 Ca 0.55 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.77 2kcm s VAL 47 Cb -0.10 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 2kcm s VAL 47 CO 0.17 -0.42 -0.20 -2.28 -0.31 0.00 0.00 175.10 172.06 2kcm s HIS 48 N -3.58 1.91 0.06 2.82 2.46 -1.05 -3.45 115.29 114.46 2kcm s HIS 48 Ca 0.25 -0.52 -0.09 0.00 0.47 0.00 0.00 55.06 55.17 2kcm s HIS 48 Cb 0.06 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 31.25 2kcm s HIS 48 CO 0.06 -0.15 0.20 -0.59 -2.47 0.00 0.00 174.74 171.78 2kcm s PHE 49 N -0.10 0.09 0.23 3.88 -0.12 -1.26 0.26 117.98 120.96 2kcm s PHE 49 Ca -0.02 -0.40 -0.04 0.00 -0.05 0.00 0.00 56.93 56.42 2kcm s PHE 49 Cb -0.11 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 2kcm s PHE 49 CO 0.02 -0.49 0.48 -0.51 -0.05 0.00 0.00 175.22 174.67 2kcm s ASP 50 N -2.46 6.46 0.38 1.98 1.11 -1.26 -4.64 116.67 118.24 2kcm s ASP 50 Ca -0.00 0.63 -0.27 0.00 0.18 0.00 0.00 52.55 53.09 2kcm s ASP 50 Cb 0.02 -2.11 -0.09 0.00 1.07 0.00 0.00 42.92 41.81 2kcm s ASP 50 CO -0.07 -0.10 1.27 -2.16 1.18 0.00 0.00 175.17 175.29 2kcm s PRO 51 N -3.24 4.10 -0.40 8.23 0.04 -1.26 -4.78 135.00 137.68 2kcm s PRO 51 Ca 0.42 2.10 0.06 0.00 0.04 0.00 0.00 61.00 63.62 2kcm s PRO 51 Cb -0.11 -2.83 0.17 0.00 0.04 0.00 0.00 34.50 31.77 2kcm s PRO 51 CO 0.28 -0.36 0.52 0.95 0.04 0.00 0.00 177.00 178.43 2kcm s THR 52 N -1.25 -0.67 0.19 1.26 -4.23 -1.26 -5.03 115.64 104.65 2kcm s THR 52 Ca 0.55 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 2kcm s THR 52 Cb -0.37 -0.32 0.12 0.00 1.34 0.00 0.00 72.50 73.27 2kcm s THR 52 CO 0.48 -0.29 1.71 -0.65 -0.54 0.00 0.00 174.62 175.33 2kcm h PRO 53 N 6.78 0.24 -2.79 3.99 0.11 -1.88 -2.84 132.00 135.60 2kcm h PRO 53 Ca 0.06 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.32 2kcm h PRO 53 Cb 1.11 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 2kcm h PRO 53 CO 0.14 0.16 -0.78 0.25 -0.21 0.00 0.00 178.00 177.56 2kcm n THR 54 N -5.12 -0.98 -0.32 -1.15 -2.24 -1.26 -1.14 114.28 102.08 2kcm n THR 54 Ca 0.06 0.72 0.13 0.00 -2.27 0.00 0.00 64.05 62.69 2kcm n THR 54 Cb 0.26 -1.12 0.35 0.00 -2.10 0.00 0.00 70.33 67.72 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 -0.90 0.71 -0.58 -0.78 0.11 -1.98 -0.91 132.00 127.67 2kcm h PRO 55 Ca -0.09 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 2kcm h PRO 55 Cb 0.82 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 2kcm h PRO 55 CO 0.04 0.47 0.22 0.87 -0.21 0.00 0.00 178.00 179.39 2kcm h LYS 56 N 0.73 0.87 0.00 1.05 1.57 -1.97 -3.48 116.57 115.34 2kcm h LYS 56 Ca 0.52 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2kcm h LYS 56 Cb 0.84 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2kcm h LYS 56 CO -0.29 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 2kcm n GLY 57 N -0.79 2.63 3.54 3.86 0.00 -0.29 -5.07 105.19 109.08 2kcm n GLY 57 Ca 0.03 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 3.33 0.03 0.99 1.43 -1.21 -4.14 118.68 119.11 2kcm s LEU 58 Ca 0.00 -0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 2kcm s LEU 58 Cb 0.00 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.47 2kcm s LEU 58 CO 0.00 0.22 0.43 0.00 0.23 0.00 0.00 176.35 177.23 2kcm s ALA 59 N 0.07 -1.06 0.00 4.21 0.00 -1.07 -4.46 121.76 119.44 2kcm s ALA 59 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2kcm s ALA 59 Cb -0.13 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kcm s ALA 59 CO 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.35 2kcm n ALA 60 N 0.60 0.00 -1.66 0.00 0.00 -1.25 -3.98 120.51 114.22 2kcm n ALA 60 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kcm n ALA 60 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2kcm n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kcm n LYS 61 N -1.04 -4.58 -3.87 0.00 4.81 -1.26 -4.48 118.16 107.74 2kcm n LYS 61 Ca 0.00 3.48 -0.28 0.00 -0.87 0.00 0.00 58.31 60.64 2kcm n LYS 61 Cb 0.00 -4.11 0.02 0.00 0.02 0.00 0.00 35.03 30.96 2kcm n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kcm n ALA 62 N -1.72 -1.50 -1.77 3.14 0.00 -1.09 -4.13 120.51 113.44 2kcm n ALA 62 Ca 0.00 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.12 2kcm n ALA 62 Cb 0.24 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 15.97 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 -3.43 3.06 0.17 0.00 1.01 -1.25 -4.14 121.20 116.62 2kcm s ILE 63 Ca 0.47 1.05 0.11 0.00 0.00 0.00 0.00 60.65 62.28 2kcm s ILE 63 Cb -0.23 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2kcm s ILE 63 CO 0.83 0.24 -0.23 -0.44 0.00 0.00 0.00 174.94 175.34 2kcm s SER 64 N -0.69 3.21 -0.48 3.58 0.01 0.14 -4.75 113.70 114.71 2kcm s SER 64 Ca 0.48 -0.83 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2kcm s SER 64 Cb -0.36 -0.22 0.16 0.00 0.21 0.00 0.00 66.02 65.81 2kcm s SER 64 CO 0.47 0.10 0.35 -1.48 0.41 0.00 0.00 173.24 173.09 2kcm s LEU 65 N -2.49 2.44 0.00 2.44 0.05 -1.26 -2.54 118.68 117.33 2kcm s LEU 65 Ca 0.17 -3.10 0.26 0.00 0.05 0.00 0.00 54.13 51.52 2kcm s LEU 65 Cb -0.08 -0.84 1.58 0.00 -2.05 0.00 0.00 46.19 44.80 2kcm s LEU 65 CO 0.08 -0.18 1.97 -0.81 -0.55 0.00 0.00 176.35 176.86 2kcm n PRO 66 N 2.87 0.91 -3.21 1.48 -0.04 -1.26 -4.73 135.00 131.02 2kcm n PRO 66 Ca 0.22 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 2kcm n PRO 66 Cb 0.41 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 4.10 0.00 1.53 2.01 -1.26 -4.84 118.68 118.31 2kcm s LEU 67 Ca 0.40 0.65 0.00 0.00 0.01 0.00 0.00 54.13 55.19 2kcm s LEU 67 Cb 0.18 -2.74 0.00 0.00 0.01 0.00 0.00 46.19 43.64 2kcm s LEU 67 CO 0.31 -0.25 0.41 -0.62 1.01 0.00 0.00 176.35 177.20 2kcm n GLU 68 N 5.18 0.00 -3.02 1.70 1.02 -1.26 -4.94 120.64 119.33 2kcm n GLU 68 Ca -0.04 -0.40 -0.43 0.00 -0.02 0.00 0.00 57.16 56.27 2kcm n GLU 68 Cb 0.50 -0.39 -0.06 0.00 -0.02 0.00 0.00 31.44 31.47 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kcm s HIS 69 N 0.00 3.00 0.21 -0.32 3.76 -1.26 -4.91 115.29 115.77 2kcm s HIS 69 Ca 0.00 0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 54.88 2kcm s HIS 69 Cb 0.00 -3.59 0.19 0.00 1.11 0.00 0.00 32.58 30.29 2kcm s HIS 69 CO 0.00 -0.99 1.65 1.25 -0.85 0.00 0.00 174.74 175.80 2kcm h HIS 70 N 8.98 0.92 -3.35 1.40 2.76 -2.04 -3.45 115.15 120.37 2kcm h HIS 70 Ca -0.25 -0.19 -0.34 0.00 -2.20 0.00 0.00 60.37 57.39 2kcm h HIS 70 Cb 1.09 -0.23 -0.15 0.00 1.55 0.00 0.00 27.41 29.68 2kcm h HIS 70 CO 0.78 0.92 -0.71 -3.38 -1.30 0.00 0.00 177.93 174.25 2kcm s HIS 71 N -4.71 1.31 -0.01 5.26 -3.43 -1.26 -5.15 115.29 107.30 2kcm s HIS 71 Ca -0.10 -0.76 -0.00 0.00 -0.80 0.00 0.00 55.06 53.40 2kcm s HIS 71 Cb 0.13 -0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 30.57 2kcm s HIS 71 CO 0.84 0.09 0.05 -1.01 -2.00 0.00 0.00 174.74 172.71 2kcm s HIS 72 N -3.32 3.22 -0.10 0.38 0.09 -1.26 -5.11 115.29 109.19 2kcm s HIS 72 Ca 0.18 0.18 -0.08 0.00 -0.00 0.00 0.00 55.06 55.33 2kcm s HIS 72 Cb 0.03 -1.72 0.03 0.00 -0.00 0.00 0.00 32.58 30.91 2kcm s HIS 72 CO 0.02 0.52 0.27 -1.58 -0.00 0.00 0.00 174.74 173.97 2kcm s HIS 73 N -1.14 -0.31 -2.88 1.40 5.04 -1.26 -5.28 115.29 110.86 2kcm s HIS 73 Ca 0.21 0.75 0.25 0.00 -1.54 0.00 0.00 55.06 54.73 2kcm s HIS 73 Cb -0.12 0.09 0.39 0.00 0.04 0.00 0.00 32.58 32.99 2kcm s HIS 73 CO 0.12 -0.17 1.38 0.72 -2.34 0.00 0.00 174.74 174.44