#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcm n LYS 2 N 0.00 1.71 -3.12 3.17 4.01 -1.22 -4.97 118.16 117.73 2kcm n LYS 2 Ca 0.00 -1.04 0.00 0.00 -0.51 0.00 0.00 58.31 56.76 2kcm n LYS 2 Cb 0.00 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 2kcm n LYS 2 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kcm n GLY 3 N 1.18 -0.71 3.04 0.72 0.00 -1.23 -3.61 105.19 104.58 2kcm n GLY 3 Ca 0.18 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 1.06 -0.57 1.61 1.02 0.35 -2.49 119.74 118.72 2kcm s LYS 4 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 2kcm s LYS 4 Cb 0.00 -0.99 0.03 0.00 -0.52 0.00 0.00 37.83 36.35 2kcm s LYS 4 CO 0.00 0.18 1.12 0.54 -0.92 0.00 0.00 175.35 176.27 2kcm s VAL 5 N 0.01 4.12 0.15 3.17 0.11 -1.05 0.62 120.40 127.53 2kcm s VAL 5 Ca -0.01 0.71 -0.09 0.00 -2.93 0.00 0.00 61.98 59.67 2kcm s VAL 5 Cb -0.08 -4.68 -0.07 0.00 -1.53 0.00 0.00 36.38 30.03 2kcm s VAL 5 CO 0.00 -1.28 1.45 1.62 -3.33 0.00 0.00 175.10 173.56 2kcm h VAL 6 N 6.12 1.29 -3.24 2.04 3.04 -1.86 -3.31 116.25 120.31 2kcm h VAL 6 Ca -0.25 -1.72 -0.05 0.00 -1.01 0.00 0.00 66.70 63.66 2kcm h VAL 6 Cb 1.06 1.63 -0.14 0.00 -2.01 0.00 0.00 31.29 31.83 2kcm h VAL 6 CO 1.16 0.56 -0.04 -0.94 -1.01 0.00 0.00 177.57 177.30 2kcm s SER 7 N -6.93 -0.29 -0.28 3.17 1.04 -1.08 -4.82 113.70 104.50 2kcm s SER 7 Ca -0.10 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 2kcm s SER 7 Cb 0.11 0.48 0.15 0.00 0.10 0.00 0.00 66.02 66.86 2kcm s SER 7 CO 0.88 -0.82 0.58 -0.47 0.98 0.00 0.00 173.24 174.38 2kcm s TYR 8 N -3.48 -1.35 -0.41 5.02 5.04 -1.26 -2.35 117.35 118.56 2kcm s TYR 8 Ca 0.01 1.86 -0.04 0.00 -2.44 0.00 0.00 57.07 56.46 2kcm s TYR 8 Cb 0.01 0.59 0.11 0.00 0.35 0.00 0.00 41.96 43.01 2kcm s TYR 8 CO -0.10 -0.74 0.22 -0.51 -1.34 0.00 0.00 175.55 173.08 2kcm s LEU 9 N 2.82 5.27 0.37 6.97 1.43 -1.15 -4.93 118.68 129.45 2kcm s LEU 9 Ca 0.07 -1.98 0.10 0.00 -1.03 0.00 0.00 54.13 51.29 2kcm s LEU 9 Cb -0.14 -1.85 0.71 0.00 0.03 0.00 0.00 46.19 44.94 2kcm s LEU 9 CO -0.19 -0.56 1.85 0.00 0.23 0.00 0.00 176.35 177.69 2kcm h ALA 10 N 8.11 1.40 -0.67 4.21 0.00 -1.94 -2.33 119.26 128.03 2kcm h ALA 10 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kcm h ALA 10 Cb 1.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2kcm h ALA 10 CO 0.72 0.42 0.42 0.00 0.00 0.00 0.00 179.25 180.81 2kcm h ALA 11 N 1.59 1.48 -0.24 0.00 0.00 -1.91 -0.41 119.26 119.77 2kcm h ALA 11 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kcm h ALA 11 Cb 0.52 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2kcm h ALA 11 CO 0.04 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.38 2kcm n LYS 12 N -4.42 2.07 -0.59 0.00 5.02 -0.99 -4.89 118.16 114.37 2kcm n LYS 12 Ca 0.07 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 2kcm n LYS 12 Cb 0.05 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 0.84 -0.90 -4.21 1.97 5.02 -0.16 -4.87 118.16 115.84 2kcm n LYS 13 Ca 0.17 0.18 -0.17 0.00 -2.02 0.00 0.00 58.31 56.48 2kcm n LYS 13 Cb 0.46 -4.16 -0.11 0.00 -0.02 0.00 0.00 35.03 31.19 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 -0.81 1.26 0.00 2.13 2.02 -1.15 -4.23 117.35 116.57 2kcm s TYR 14 Ca 0.00 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 2kcm s TYR 14 Cb 0.00 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.89 2kcm s TYR 14 CO 0.00 0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 2kcm n GLY 15 N 0.65 2.09 3.13 0.71 0.00 -1.22 -2.95 105.19 107.60 2kcm n GLY 15 Ca -0.16 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -8.39 0.96 0.11 1.61 0.08 -0.99 -3.73 117.98 107.62 2kcm s PHE 16 Ca 0.00 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2kcm s PHE 16 Cb 0.00 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2kcm s PHE 16 CO 0.00 -0.02 -0.08 0.42 -0.10 0.00 0.00 175.22 175.44 2kcm s ILE 17 N -1.58 0.87 -0.33 0.64 1.01 -1.13 -2.63 121.20 118.04 2kcm s ILE 17 Ca -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 60.65 58.65 2kcm s ILE 17 Cb -0.08 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.76 2kcm s ILE 17 CO 0.01 -0.79 0.07 -1.58 0.00 0.00 0.00 174.94 172.65 2kcm s GLN 18 N -3.66 2.39 0.81 2.79 0.74 0.20 -3.47 119.66 119.46 2kcm s GLN 18 Ca 0.12 -1.36 -0.11 0.00 0.05 0.00 0.00 55.36 54.06 2kcm s GLN 18 Cb 0.03 -3.34 0.08 0.00 1.10 0.00 0.00 33.01 30.88 2kcm s GLN 18 CO -0.02 -0.73 1.09 0.20 -0.55 0.00 0.00 175.29 175.28 2kcm s GLY 19 N 1.42 1.65 0.33 2.59 0.00 -0.32 -0.50 107.32 112.49 2kcm s GLY 19 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 44.72 44.87 2kcm s GLY 19 CO -0.01 0.51 1.84 1.29 0.00 0.00 0.00 173.10 176.74 2kcm h ASP 20 N -1.23 0.42 -0.28 1.64 2.03 -1.84 -1.26 116.42 115.91 2kcm h ASP 20 Ca -0.46 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 2kcm h ASP 20 Cb 1.25 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2kcm h ASP 20 CO 0.53 0.57 0.00 0.47 -1.03 0.00 0.00 179.24 179.78 2kcm n ASP 21 N -4.23 1.88 0.00 4.15 8.00 -1.26 -4.86 116.55 120.24 2kcm n ASP 21 Ca 0.00 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2kcm n ASP 21 Cb 0.30 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.12 0.63 3.61 0.44 0.00 -0.47 -5.03 105.19 105.49 2kcm n GLY 22 Ca 0.14 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.82 4.01 0.50 1.61 2.02 -1.26 -4.69 118.70 120.08 2kcm s GLU 23 Ca 0.00 0.28 -0.18 0.00 0.02 0.00 0.00 54.97 55.09 2kcm s GLU 23 Cb 0.00 -3.67 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 2kcm s GLU 23 CO 0.00 -0.40 0.99 -1.54 0.02 0.00 0.00 175.26 174.33 2kcm s SER 24 N 1.57 6.54 -0.01 -0.19 1.04 -1.26 -1.17 113.70 120.22 2kcm s SER 24 Ca 0.21 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.34 2kcm s SER 24 Cb -0.16 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.45 2kcm s SER 24 CO 0.10 -0.64 -0.00 -0.31 0.98 0.00 0.00 173.24 173.36 2kcm s TYR 25 N -2.39 0.16 0.33 5.02 2.02 -1.23 -4.59 117.35 116.68 2kcm s TYR 25 Ca 0.62 0.01 -0.26 0.00 -0.37 0.00 0.00 57.07 57.07 2kcm s TYR 25 Cb -0.11 -0.20 -0.10 0.00 -0.40 0.00 0.00 41.96 41.14 2kcm s TYR 25 CO 0.26 -0.05 0.97 -0.06 -1.57 0.00 0.00 175.55 175.10 2kcm s PHE 26 N 0.46 3.62 -0.21 2.71 0.08 -1.24 -2.85 117.98 120.56 2kcm s PHE 26 Ca -0.04 1.76 -0.03 0.00 0.12 0.00 0.00 56.93 58.74 2kcm s PHE 26 Cb -0.07 -2.98 -0.00 0.00 -0.57 0.00 0.00 43.02 39.40 2kcm s PHE 26 CO -0.01 0.02 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.88 2kcm s LEU 27 N -2.10 2.72 0.26 -0.37 0.20 -1.24 -3.27 118.68 114.88 2kcm s LEU 27 Ca 0.51 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.90 2kcm s LEU 27 Cb -0.20 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 2kcm s LEU 27 CO 0.26 -0.01 0.13 -2.28 -0.29 0.00 0.00 176.35 174.15 2kcm s HIS 28 N 1.42 1.49 0.25 5.38 2.46 -1.26 -3.42 115.29 121.60 2kcm s HIS 28 Ca 0.05 -1.30 -0.06 0.00 0.47 0.00 0.00 55.06 54.23 2kcm s HIS 28 Cb -0.14 -0.81 0.26 0.00 -0.13 0.00 0.00 32.58 31.76 2kcm s HIS 28 CO -0.05 -0.47 1.88 0.74 -2.47 0.00 0.00 174.74 174.36 2kcm h PHE 29 N 2.37 1.19 -0.00 3.88 -1.00 -1.94 -1.40 116.94 120.04 2kcm h PHE 29 Ca -0.36 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2kcm h PHE 29 Cb 1.25 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 40.42 2kcm h PHE 29 CO 0.66 0.82 0.02 0.66 -1.61 0.00 0.00 178.31 178.86 2kcm h SER 30 N 1.22 0.00 0.28 2.17 4.64 -1.96 0.14 113.55 120.05 2kcm h SER 30 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2kcm h SER 30 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2kcm h SER 30 CO -0.05 0.00 -0.67 -0.62 -0.87 0.00 0.00 176.83 174.62 2kcm n GLU 31 N -3.11 0.09 -3.40 4.77 1.02 -0.54 -4.84 120.64 114.64 2kcm n GLU 31 Ca -0.03 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 2kcm n GLU 31 Cb 0.09 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.95 4.13 0.17 -4.62 1.43 0.49 -2.02 118.68 115.31 2kcm s LEU 32 Ca 0.11 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2kcm s LEU 32 Cb 0.17 -2.48 0.07 0.00 0.03 0.00 0.00 46.19 43.98 2kcm s LEU 32 CO 0.75 -0.10 1.69 -0.07 0.23 0.00 0.00 176.35 178.85 2kcm h LEU 33 N 7.87 0.91 -7.55 1.79 3.38 -1.85 -3.40 115.31 116.46 2kcm h LEU 33 Ca -0.35 -0.22 -0.55 0.00 0.09 0.00 0.00 57.88 56.85 2kcm h LEU 33 Cb 1.16 -0.24 -0.38 0.00 0.09 0.00 0.00 40.66 41.29 2kcm h LEU 33 CO 0.70 0.90 -0.78 -1.81 0.09 0.00 0.00 178.44 177.53 2kcm s ASP 34 N -6.27 2.87 0.57 -0.43 1.01 -1.26 -4.98 116.67 108.18 2kcm s ASP 34 Ca -0.12 -0.71 0.31 0.00 0.71 0.00 0.00 52.55 52.74 2kcm s ASP 34 Cb 0.13 -0.85 1.44 0.00 1.01 0.00 0.00 42.92 44.64 2kcm s ASP 34 CO 0.82 -0.21 1.81 0.11 0.21 0.00 0.00 175.17 177.90 2kcm h LYS 35 N 8.14 0.00 -0.53 8.23 6.56 -1.92 0.69 116.57 137.73 2kcm h LYS 35 Ca -0.22 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.32 2kcm h LYS 35 Cb 1.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.75 2kcm h LYS 35 CO 0.38 0.00 0.11 0.87 -2.06 0.00 0.00 179.45 178.75 2kcm h LYS 36 N 0.00 0.82 0.00 3.15 1.57 -1.97 -0.84 116.57 119.30 2kcm h LYS 36 Ca 0.37 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2kcm h LYS 36 Cb 1.74 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2kcm h LYS 36 CO -0.00 0.76 0.00 -0.25 -0.57 0.00 0.00 179.45 179.38 2kcm n ASP 37 N -4.26 0.00 0.05 0.86 8.00 0.24 -2.20 116.55 119.24 2kcm n ASP 37 Ca 0.04 0.24 -0.01 0.00 0.71 0.00 0.00 54.79 55.77 2kcm n ASP 37 Cb 0.24 -0.35 0.28 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.38 -0.00 -1.24 4.22 -1.16 -1.44 114.58 115.34 2kcm h GLU 38 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 2kcm h GLU 38 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2kcm h GLU 38 CO 0.00 0.56 -0.15 0.41 -2.18 0.00 0.00 179.01 177.65 2kcm n GLY 39 N -0.60 -1.23 0.68 1.92 0.00 -0.94 -3.06 105.19 101.96 2kcm n GLY 39 Ca -0.00 -0.22 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 -1.29 1.94 -2.20 1.61 4.01 -0.55 -4.93 118.16 116.74 2kcm n LYS 40 Ca 0.10 -1.37 -0.35 0.00 -0.51 0.00 0.00 58.31 56.18 2kcm n LYS 40 Cb 0.31 -1.47 0.01 0.00 -0.51 0.00 0.00 35.03 33.37 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kcm s LEU 41 N -1.94 3.72 -0.12 -0.35 1.43 -1.14 -4.89 118.68 115.39 2kcm s LEU 41 Ca 0.34 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 2kcm s LEU 41 Cb 0.20 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.85 2kcm s LEU 41 CO 0.32 -1.29 -0.21 0.54 0.23 0.00 0.00 176.35 175.94 2kcm s VAL 42 N -1.78 1.89 -0.00 -1.59 0.11 -1.26 -5.10 120.40 112.67 2kcm s VAL 42 Ca 0.73 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 58.73 2kcm s VAL 42 Cb -0.25 -1.67 -0.06 0.00 -1.53 0.00 0.00 36.38 32.88 2kcm s VAL 42 CO 0.28 0.52 0.42 -0.75 -3.33 0.00 0.00 175.10 172.25 2kcm s LYS 43 N 0.70 3.97 0.00 1.54 2.20 -1.26 -4.18 119.74 122.71 2kcm s LYS 43 Ca -0.11 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2kcm s LYS 43 Cb -0.16 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 2kcm s LYS 43 CO 0.02 0.65 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 2kcm n GLY 44 N 1.91 0.51 0.00 5.54 0.00 -1.25 -5.03 105.19 106.87 2kcm n GLY 44 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.76 0.00 -4.81 1.61 7.64 -1.26 -5.03 113.62 113.54 2kcm n SER 45 Ca 0.00 -0.49 -0.37 0.00 1.01 0.00 0.00 58.87 59.02 2kcm n SER 45 Cb 0.24 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.46 4.29 -0.02 1.43 -1.94 -1.26 -2.52 119.30 118.82 2kcm s MET 46 Ca 0.00 0.88 0.02 0.00 -1.71 0.00 0.00 55.69 54.88 2kcm s MET 46 Cb 0.00 -3.03 0.01 0.00 2.01 0.00 0.00 34.83 33.81 2kcm s MET 46 CO 0.00 0.49 -0.06 0.14 -0.01 0.00 0.00 175.02 175.58 2kcm s VAL 47 N -1.36 0.52 -0.19 -6.03 -7.23 -1.04 -4.54 120.40 100.53 2kcm s VAL 47 Ca 0.38 -0.21 -0.15 0.00 -1.81 0.00 0.00 61.98 60.19 2kcm s VAL 47 Cb -0.18 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 2kcm s VAL 47 CO 0.22 0.18 0.36 -1.00 -0.31 0.00 0.00 175.10 174.54 2kcm s HIS 48 N 0.27 3.40 -0.02 2.82 3.76 -0.42 -3.41 115.29 121.70 2kcm s HIS 48 Ca -0.03 0.61 -0.15 0.00 -0.15 0.00 0.00 55.06 55.33 2kcm s HIS 48 Cb -0.07 -2.46 0.03 0.00 1.11 0.00 0.00 32.58 31.18 2kcm s HIS 48 CO -0.00 0.08 0.33 -0.59 -0.85 0.00 0.00 174.74 173.70 2kcm s PHE 49 N 1.01 -0.21 0.10 1.40 -0.12 -1.26 0.08 117.98 118.98 2kcm s PHE 49 Ca 0.18 0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 57.39 2kcm s PHE 49 Cb -0.14 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 2kcm s PHE 49 CO 0.07 -0.39 0.28 -0.51 -0.05 0.00 0.00 175.22 174.62 2kcm s ASP 50 N -1.24 6.40 1.22 1.98 1.11 0.26 -4.81 116.67 121.59 2kcm s ASP 50 Ca -0.13 0.36 -0.20 0.00 0.18 0.00 0.00 52.55 52.76 2kcm s ASP 50 Cb -0.05 -2.00 0.30 0.00 1.07 0.00 0.00 42.92 42.24 2kcm s ASP 50 CO 0.04 0.11 1.15 -2.16 1.18 0.00 0.00 175.17 175.49 2kcm s PRO 51 N -2.67 -1.36 0.02 8.23 0.04 -1.26 -0.14 135.00 137.87 2kcm s PRO 51 Ca 0.37 -0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.14 2kcm s PRO 51 Cb -0.12 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2kcm s PRO 51 CO 0.27 -3.77 -0.00 0.95 0.04 0.00 0.00 177.00 174.49 2kcm s THR 52 N -3.15 0.12 0.31 1.26 -4.23 -1.19 -4.51 115.64 104.26 2kcm s THR 52 Ca 0.73 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 60.33 2kcm s THR 52 Cb -0.07 -0.44 0.31 0.00 1.34 0.00 0.00 72.50 73.64 2kcm s THR 52 CO 0.55 -0.54 1.76 -0.65 -0.54 0.00 0.00 174.62 175.20 2kcm h PRO 53 N 4.40 0.67 -3.84 3.99 0.11 -1.99 -3.42 132.00 131.92 2kcm h PRO 53 Ca -0.32 -0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.37 2kcm h PRO 53 Cb 1.20 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.09 2kcm h PRO 53 CO 0.44 0.44 1.36 2.41 -0.21 0.00 0.00 178.00 182.45 2kcm n THR 54 N -4.81 0.00 0.35 -1.15 -1.04 -1.26 -4.72 114.28 101.65 2kcm n THR 54 Ca 0.25 -0.02 0.13 0.00 -2.04 0.00 0.00 64.05 62.37 2kcm n THR 54 Cb 0.64 -0.36 0.34 0.00 -1.82 0.00 0.00 70.33 69.13 2kcm n THR 54 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2kcm h PRO 55 N 9.18 0.00 -4.58 -2.82 0.13 -2.01 -3.36 132.00 128.54 2kcm h PRO 55 Ca -0.03 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.50 2kcm h PRO 55 Cb 1.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.76 2kcm h PRO 55 CO 1.08 0.00 -0.82 0.15 -0.23 0.00 0.00 178.00 178.18 2kcm s LYS 56 N -3.26 2.12 0.00 0.86 1.02 -1.26 -4.68 119.74 114.53 2kcm s LYS 56 Ca 0.07 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2kcm s LYS 56 Cb 0.08 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2kcm s LYS 56 CO 0.61 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2kcm n GLY 57 N 4.76 1.34 1.94 -3.33 0.00 -1.26 -4.97 105.19 103.67 2kcm n GLY 57 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.07 -3.81 0.99 4.77 -1.26 -4.71 117.00 106.92 2kcm n LEU 58 Ca 0.00 3.22 -0.12 0.00 -0.03 0.00 0.00 56.01 59.08 2kcm n LEU 58 Cb 0.00 -3.17 -0.11 0.00 -2.33 0.00 0.00 43.42 37.81 2kcm n LEU 58 CO 0.00 -0.80 -0.10 0.00 -1.33 0.00 0.00 177.39 175.16 2kcm s ALA 59 N -1.73 -0.55 0.54 -1.18 0.00 -1.26 -3.61 121.76 113.97 2kcm s ALA 59 Ca 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 2kcm s ALA 59 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2kcm s ALA 59 CO 0.00 -0.15 0.79 0.00 0.00 0.00 0.00 175.76 176.40 2kcm s ALA 60 N -0.43 3.65 -0.10 0.00 0.00 -1.20 -3.16 121.76 120.52 2kcm s ALA 60 Ca -0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 2kcm s ALA 60 Cb -0.04 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.86 2kcm s ALA 60 CO 0.01 -0.69 0.33 0.21 0.00 0.00 0.00 175.76 175.62 2kcm s LYS 61 N -4.79 0.48 -0.62 0.00 2.20 0.80 -4.80 119.74 113.01 2kcm s LYS 61 Ca 0.54 0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 56.31 2kcm s LYS 61 Cb -0.10 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2kcm s LYS 61 CO 0.40 -0.09 0.64 0.00 -0.36 0.00 0.00 175.35 175.95 2kcm n ALA 62 N 2.44 -2.67 -2.05 3.13 0.00 -0.85 -0.57 120.51 119.93 2kcm n ALA 62 Ca -0.15 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 2kcm n ALA 62 Cb 0.57 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.58 3.27 -0.00 0.00 -1.09 -1.02 -4.15 121.20 115.63 2kcm s ILE 63 Ca 0.15 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 59.58 2kcm s ILE 63 Cb -0.03 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2kcm s ILE 63 CO 0.81 0.13 -0.02 -0.55 -1.23 0.00 0.00 174.94 174.09 2kcm s SER 64 N 0.50 0.29 -0.14 3.58 0.15 0.11 -4.73 113.70 113.47 2kcm s SER 64 Ca 0.58 -0.04 -0.20 0.00 0.70 0.00 0.00 55.95 56.99 2kcm s SER 64 Cb -0.36 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.86 2kcm s SER 64 CO 0.36 0.01 0.58 -1.48 1.20 0.00 0.00 173.24 173.92 2kcm s LEU 65 N 0.07 4.22 0.00 3.45 2.34 -1.26 -1.30 118.68 126.20 2kcm s LEU 65 Ca -0.00 0.88 0.19 0.00 0.06 0.00 0.00 54.13 55.26 2kcm s LEU 65 Cb -0.02 -2.84 0.85 0.00 -0.56 0.00 0.00 46.19 43.61 2kcm s LEU 65 CO -0.00 -0.14 1.62 -0.81 -1.06 0.00 0.00 176.35 175.96 2kcm n PRO 66 N 4.29 0.04 -2.86 1.48 -0.04 -1.26 -4.74 135.00 131.90 2kcm n PRO 66 Ca -0.04 0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 2kcm n PRO 66 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.95 4.55 1.04 1.53 1.43 -1.26 -5.05 118.68 117.97 2kcm s LEU 67 Ca 0.11 1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 2kcm s LEU 67 Cb 0.13 -3.43 0.23 0.00 0.03 0.00 0.00 46.19 43.14 2kcm s LEU 67 CO 0.35 0.09 1.25 -1.61 0.23 0.00 0.00 176.35 176.65 2kcm s GLU 68 N -0.62 0.04 0.39 1.70 2.02 -1.26 -4.99 118.70 115.98 2kcm s GLU 68 Ca 0.40 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.85 2kcm s GLU 68 Cb -0.23 -1.76 -0.09 0.00 0.10 0.00 0.00 34.13 32.14 2kcm s GLU 68 CO 0.28 -2.83 1.28 -1.58 0.02 0.00 0.00 175.26 172.42 2kcm s HIS 69 N -3.59 2.90 0.07 1.61 5.65 -1.26 -4.95 115.29 115.72 2kcm s HIS 69 Ca 0.73 1.44 -0.31 0.00 0.25 0.00 0.00 55.06 57.17 2kcm s HIS 69 Cb -0.06 -3.62 -0.06 0.00 -1.18 0.00 0.00 32.58 27.65 2kcm s HIS 69 CO 0.54 -1.92 1.31 -1.58 -0.65 0.00 0.00 174.74 172.44 2kcm s HIS 70 N -1.27 3.25 0.00 3.88 2.46 -1.26 -4.75 115.29 117.60 2kcm s HIS 70 Ca 0.56 1.07 0.00 0.00 0.47 0.00 0.00 55.06 57.16 2kcm s HIS 70 Cb -0.37 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 2kcm s HIS 70 CO 0.48 -1.94 0.00 1.58 -2.47 0.00 0.00 174.74 172.39 2kcm n HIS 71 N 4.24 0.00 -2.51 3.88 -0.00 -1.26 -5.10 115.22 114.47 2kcm n HIS 71 Ca 0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.42 2kcm n HIS 71 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.39 2kcm n HIS 71 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcm s HIS 72 N -1.00 3.62 0.18 1.57 3.76 -1.26 -4.94 115.29 117.23 2kcm s HIS 72 Ca 0.00 1.71 -0.08 0.00 -0.15 0.00 0.00 55.06 56.53 2kcm s HIS 72 Cb 0.00 -3.25 0.08 0.00 1.11 0.00 0.00 32.58 30.52 2kcm s HIS 72 CO 0.00 -0.46 1.61 0.45 -0.85 0.00 0.00 174.74 175.49 2kcm h HIS 73 N 4.04 1.10 0.00 1.40 3.86 -2.03 -3.55 115.15 119.97 2kcm h HIS 73 Ca -0.46 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.52 2kcm h HIS 73 Cb 1.21 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2kcm h HIS 73 CO 0.60 1.03 0.00 1.58 0.86 0.00 0.00 177.93 182.00