#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 1.40 0.00 2.12 1.02 -1.26 -4.63 119.74 118.38 2kcm s LYS 2 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.84 2kcm s LYS 2 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2kcm s LYS 2 CO 0.00 -1.68 0.00 0.41 -0.92 0.00 0.00 175.35 173.16 2kcm n GLY 3 N -3.01 1.50 2.96 -3.33 0.00 -1.24 -1.90 105.19 100.18 2kcm n GLY 3 Ca 0.17 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.93 0.55 -0.02 1.61 2.20 0.76 -3.18 119.74 120.73 2kcm s LYS 4 Ca 0.00 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.11 2kcm s LYS 4 Cb 0.00 -0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 2kcm s LYS 4 CO 0.00 0.10 1.24 0.54 -0.36 0.00 0.00 175.35 176.87 2kcm s VAL 5 N 0.04 4.09 -0.20 4.02 0.11 -1.14 -0.76 120.40 126.56 2kcm s VAL 5 Ca 0.00 1.45 -0.07 0.00 -2.93 0.00 0.00 61.98 60.42 2kcm s VAL 5 Cb -0.04 -3.93 -0.21 0.00 -1.53 0.00 0.00 36.38 30.67 2kcm s VAL 5 CO -0.00 0.02 0.07 0.55 -3.33 0.00 0.00 175.10 172.41 2kcm n VAL 6 N 4.48 1.63 -3.68 2.04 3.14 -1.19 -3.97 118.33 120.78 2kcm n VAL 6 Ca 0.11 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.86 2kcm n VAL 6 Cb 0.46 -1.70 -0.07 0.00 -1.06 0.00 0.00 33.84 31.47 2kcm n VAL 6 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2kcm s SER 7 N -6.91 -0.28 -0.30 6.55 0.01 -1.11 -4.83 113.70 106.82 2kcm s SER 7 Ca -0.29 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 2kcm s SER 7 Cb 0.08 0.41 0.15 0.00 0.21 0.00 0.00 66.02 66.87 2kcm s SER 7 CO 0.66 -0.63 0.67 -0.47 0.41 0.00 0.00 173.24 173.88 2kcm s TYR 8 N -2.23 -1.35 -0.27 2.43 5.04 -1.26 -0.75 117.35 118.95 2kcm s TYR 8 Ca -0.07 2.05 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 2kcm s TYR 8 Cb -0.01 0.70 0.06 0.00 0.35 0.00 0.00 41.96 43.06 2kcm s TYR 8 CO -0.01 -0.69 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.91 2kcm s LEU 9 N 2.86 3.50 0.28 6.97 1.43 -0.82 -4.97 118.68 127.92 2kcm s LEU 9 Ca 0.01 -1.35 0.03 0.00 -1.03 0.00 0.00 54.13 51.79 2kcm s LEU 9 Cb -0.12 -1.58 0.40 0.00 0.03 0.00 0.00 46.19 44.91 2kcm s LEU 9 CO -0.19 -0.20 1.71 0.00 0.23 0.00 0.00 176.35 177.90 2kcm h ALA 10 N 7.82 1.08 -0.39 4.21 0.00 -1.95 -1.65 119.26 128.38 2kcm h ALA 10 Ca -0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2kcm h ALA 10 Cb 1.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kcm h ALA 10 CO 0.48 0.57 0.17 0.00 0.00 0.00 0.00 179.25 180.46 2kcm h ALA 11 N 1.30 1.56 -0.02 0.00 0.00 -1.93 -1.30 119.26 118.87 2kcm h ALA 11 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2kcm h ALA 11 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kcm h ALA 11 CO 0.05 0.35 -0.12 1.63 0.00 0.00 0.00 179.25 181.16 2kcm n LYS 12 N -4.39 1.72 -0.73 0.00 4.76 -1.04 -4.91 118.16 113.57 2kcm n LYS 12 Ca 0.03 -1.27 0.00 0.00 -2.87 0.00 0.00 58.31 54.19 2kcm n LYS 12 Cb 0.13 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kcm n LYS 13 N 0.47 -1.31 -4.41 1.97 5.02 -0.49 -4.89 118.16 114.52 2kcm n LYS 13 Ca 0.14 0.29 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 2kcm n LYS 13 Cb 0.47 -4.50 -0.10 0.00 -0.02 0.00 0.00 35.03 30.88 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 -0.88 2.03 0.00 2.13 2.02 -1.13 -4.54 117.35 116.98 2kcm s TYR 14 Ca 0.00 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2kcm s TYR 14 Cb 0.00 -0.91 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2kcm s TYR 14 CO 0.00 0.55 0.01 0.41 -1.57 0.00 0.00 175.55 174.95 2kcm n GLY 15 N -0.51 1.66 3.11 0.71 0.00 -1.23 -1.95 105.19 106.98 2kcm n GLY 15 Ca -0.06 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -7.55 -0.01 -0.03 1.61 0.08 0.07 -3.54 117.98 108.61 2kcm s PHE 16 Ca 0.00 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.06 2kcm s PHE 16 Cb -0.00 -0.02 0.01 0.00 -0.57 0.00 0.00 43.02 42.44 2kcm s PHE 16 CO 0.00 -0.26 -0.06 0.42 -0.10 0.00 0.00 175.22 175.22 2kcm s ILE 17 N -1.15 0.62 -0.37 0.64 1.01 -0.99 -2.74 121.20 118.22 2kcm s ILE 17 Ca -0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 2kcm s ILE 17 Cb -0.06 -0.59 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 2kcm s ILE 17 CO 0.02 0.22 0.38 -1.58 0.00 0.00 0.00 174.94 173.98 2kcm s GLN 18 N 0.55 3.41 0.71 2.79 2.00 0.06 -2.11 119.66 127.07 2kcm s GLN 18 Ca -0.08 -0.53 -0.11 0.00 -2.00 0.00 0.00 55.36 52.64 2kcm s GLN 18 Cb -0.11 -3.86 0.02 0.00 0.80 0.00 0.00 33.01 29.86 2kcm s GLN 18 CO 0.00 -0.63 1.07 0.20 -0.50 0.00 0.00 175.29 175.44 2kcm s GLY 19 N 1.75 1.65 0.30 2.59 0.00 -0.70 -0.17 107.32 112.74 2kcm s GLY 19 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.81 2kcm s GLY 19 CO 0.12 0.30 1.81 -1.80 0.00 0.00 0.00 173.10 173.54 2kcm h ASP 20 N -0.76 0.63 -0.13 1.64 3.58 -1.69 -1.39 116.42 118.31 2kcm h ASP 20 Ca -0.45 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2kcm h ASP 20 Cb 1.22 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2kcm h ASP 20 CO 0.58 0.70 0.00 -0.67 -2.88 0.00 0.00 179.24 176.97 2kcm n ASP 21 N -4.24 0.69 -0.03 2.28 2.03 -1.26 -4.82 116.55 111.19 2kcm n ASP 21 Ca 0.02 -1.96 -0.00 0.00 0.52 0.00 0.00 54.79 53.37 2kcm n ASP 21 Cb 0.27 -0.08 -0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 0.73 0.40 3.55 0.27 0.00 -0.52 -5.01 105.19 104.61 2kcm n GLY 22 Ca 0.05 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.38 3.59 0.40 1.61 0.41 -1.25 -4.79 118.70 116.28 2kcm s GLU 23 Ca 0.00 -0.32 -0.23 0.00 -0.41 0.00 0.00 54.97 54.00 2kcm s GLU 23 Cb 0.00 -3.80 -0.09 0.00 -1.78 0.00 0.00 34.13 28.45 2kcm s GLU 23 CO 0.00 -0.56 1.01 0.45 -0.49 0.00 0.00 175.26 175.66 2kcm s SER 24 N 1.74 6.86 -0.02 -0.19 0.15 -1.26 -1.71 113.70 119.27 2kcm s SER 24 Ca 0.14 1.91 0.01 0.00 0.70 0.00 0.00 55.95 58.72 2kcm s SER 24 Cb -0.16 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 2kcm s SER 24 CO 0.12 -0.41 -0.04 -0.31 1.20 0.00 0.00 173.24 173.80 2kcm s TYR 25 N -1.79 0.49 0.27 3.44 2.02 -0.90 -4.60 117.35 116.28 2kcm s TYR 25 Ca 0.58 -0.09 -0.26 0.00 -0.37 0.00 0.00 57.07 56.93 2kcm s TYR 25 Cb -0.18 -0.38 -0.09 0.00 -0.40 0.00 0.00 41.96 40.91 2kcm s TYR 25 CO 0.23 -0.06 0.89 -0.06 -1.57 0.00 0.00 175.55 174.98 2kcm s PHE 26 N 0.24 3.77 -0.21 2.71 0.08 -1.25 -2.35 117.98 120.97 2kcm s PHE 26 Ca -0.02 1.73 -0.04 0.00 0.12 0.00 0.00 56.93 58.72 2kcm s PHE 26 Cb -0.06 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.51 2kcm s PHE 26 CO -0.00 0.31 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.21 2kcm s LEU 27 N -1.77 2.93 0.18 -0.37 0.20 -1.23 -2.74 118.68 115.87 2kcm s LEU 27 Ca 0.46 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2kcm s LEU 27 Cb -0.20 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2kcm s LEU 27 CO 0.25 0.01 0.09 -2.28 -0.29 0.00 0.00 176.35 174.13 2kcm s HIS 28 N 1.27 1.09 0.28 5.38 2.46 -1.26 -3.50 115.29 121.00 2kcm s HIS 28 Ca 0.03 -1.28 -0.03 0.00 0.47 0.00 0.00 55.06 54.26 2kcm s HIS 28 Cb -0.14 -0.58 0.37 0.00 -0.13 0.00 0.00 32.58 32.10 2kcm s HIS 28 CO -0.02 -0.53 1.88 0.74 -2.47 0.00 0.00 174.74 174.34 2kcm h PHE 29 N 2.70 1.00 0.00 3.88 -1.00 -1.94 -1.31 116.94 120.26 2kcm h PHE 29 Ca -0.36 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.38 2kcm h PHE 29 Cb 1.23 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 40.47 2kcm h PHE 29 CO 0.41 0.73 -0.01 0.77 -1.61 0.00 0.00 178.31 178.60 2kcm h SER 30 N 1.01 0.00 0.53 2.17 0.02 -1.98 -0.22 113.55 115.08 2kcm h SER 30 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 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 -0.03 0.01 -0.63 -0.62 -1.14 0.00 0.00 176.83 174.41 2kcm n GLU 31 N -3.20 0.10 -3.24 3.45 1.02 -0.50 -4.74 120.64 113.53 2kcm n GLU 31 Ca -0.02 0.02 -0.44 0.00 -0.02 0.00 0.00 57.16 56.69 2kcm n GLU 31 Cb 0.11 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.38 5.13 0.16 -4.62 1.43 -0.09 -2.86 118.68 114.44 2kcm s LEU 32 Ca 0.09 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 2kcm s LEU 32 Cb 0.16 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 44.06 2kcm s LEU 32 CO 0.73 -0.78 1.66 -0.07 0.23 0.00 0.00 176.35 178.12 2kcm h LEU 33 N 9.35 0.85 -7.59 1.79 -0.00 -1.85 -3.35 115.31 114.52 2kcm h LEU 33 Ca -0.28 -0.25 -0.71 0.00 -0.00 0.00 0.00 57.88 56.65 2kcm h LEU 33 Cb 1.10 -0.22 -0.34 0.00 -0.00 0.00 0.00 40.66 41.20 2kcm h LEU 33 CO 0.92 0.87 -0.30 -1.81 -0.00 0.00 0.00 178.44 178.12 2kcm s ASP 34 N -6.25 5.44 0.63 -0.43 1.01 -1.26 -4.91 116.67 110.90 2kcm s ASP 34 Ca -0.13 -2.86 0.19 0.00 0.71 0.00 0.00 52.55 50.46 2kcm s ASP 34 Cb 0.12 -1.90 1.05 0.00 1.01 0.00 0.00 42.92 43.20 2kcm s ASP 34 CO 0.81 -0.39 1.58 0.11 0.21 0.00 0.00 175.17 177.49 2kcm h LYS 35 N 7.09 0.00 -0.37 8.23 1.79 -1.94 0.85 116.57 132.22 2kcm h LYS 35 Ca 0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2kcm h LYS 35 Cb 0.96 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 2kcm h LYS 35 CO 0.72 0.00 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.74 2kcm h LYS 36 N 0.00 0.64 0.00 3.15 3.64 -1.94 -1.94 116.57 120.13 2kcm h LYS 36 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2kcm h LYS 36 Cb 1.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2kcm h LYS 36 CO 0.00 0.75 0.00 -0.25 -2.27 0.00 0.00 179.45 177.68 2kcm n ASP 37 N -4.18 0.34 -0.00 4.20 8.00 0.29 -2.63 116.55 122.57 2kcm n ASP 37 Ca 0.01 0.59 -0.03 0.00 0.71 0.00 0.00 54.79 56.07 2kcm n ASP 37 Cb 0.35 -0.66 0.22 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.53 -0.00 -1.24 4.81 -1.41 -2.17 114.58 115.10 2kcm h GLU 38 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2kcm h GLU 38 Cb 0.29 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2kcm h GLU 38 CO 0.00 0.68 -0.16 0.41 -0.73 0.00 0.00 179.01 179.21 2kcm n GLY 39 N -0.53 -1.22 1.00 1.92 0.00 -1.08 -3.39 105.19 101.90 2kcm n GLY 39 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.28 3.17 -2.06 1.61 5.02 -0.83 -5.01 118.16 118.78 2kcm n LYS 40 Ca 0.10 -2.60 -0.35 0.00 -2.02 0.00 0.00 58.31 53.44 2kcm n LYS 40 Cb 0.31 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.99 3.63 -0.07 -0.35 1.43 -1.10 -4.91 118.68 115.32 2kcm s LEU 41 Ca 0.38 2.18 0.05 0.00 -1.03 0.00 0.00 54.13 55.71 2kcm s LEU 41 Cb 0.27 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.91 2kcm s LEU 41 CO 0.15 -1.43 -0.21 0.54 0.23 0.00 0.00 176.35 175.63 2kcm s VAL 42 N -1.88 1.79 -0.17 -1.59 0.11 -1.26 -5.12 120.40 112.28 2kcm s VAL 42 Ca 0.72 -0.90 -0.09 0.00 -2.93 0.00 0.00 61.98 58.79 2kcm s VAL 42 Cb -0.24 -1.54 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 2kcm s VAL 42 CO 0.32 0.50 0.13 -0.75 -3.33 0.00 0.00 175.10 171.97 2kcm s LYS 43 N 0.12 3.91 0.00 1.54 2.20 -1.26 -4.30 119.74 121.95 2kcm s LYS 43 Ca -0.09 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2kcm s LYS 43 Cb -0.15 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2kcm s LYS 43 CO 0.05 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 2kcm n GLY 44 N 2.98 3.13 3.54 5.54 0.00 -1.25 -5.03 105.19 114.10 2kcm n GLY 44 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 1.08 -4.82 1.61 7.64 -1.26 -4.81 113.62 113.19 2kcm n SER 45 Ca 0.00 -1.96 -0.34 0.00 1.01 0.00 0.00 58.87 57.58 2kcm n SER 45 Cb 0.00 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.50 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 -4.98 4.21 0.13 1.43 -1.94 -1.26 -2.88 119.30 114.00 2kcm s MET 46 Ca 0.62 0.96 0.03 0.00 -1.71 0.00 0.00 55.69 55.59 2kcm s MET 46 Cb -0.03 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2kcm s MET 46 CO 0.41 0.14 -0.09 0.14 -0.01 0.00 0.00 175.02 175.62 2kcm s VAL 47 N -1.94 0.97 -0.13 -6.03 -7.23 -1.19 -4.64 120.40 100.21 2kcm s VAL 47 Ca 0.55 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2kcm s VAL 47 Cb -0.12 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kcm s VAL 47 CO 0.17 -0.80 -0.20 -2.28 -0.31 0.00 0.00 175.10 171.68 2kcm s HIS 48 N -3.45 2.50 0.03 2.82 2.46 -1.07 -3.66 115.29 114.92 2kcm s HIS 48 Ca 0.15 -1.24 0.01 0.00 0.47 0.00 0.00 55.06 54.45 2kcm s HIS 48 Cb 0.04 -1.72 -0.02 0.00 -0.13 0.00 0.00 32.58 30.74 2kcm s HIS 48 CO -0.02 -0.58 -0.05 -0.59 -2.47 0.00 0.00 174.74 171.04 2kcm s PHE 49 N 0.84 0.45 -0.17 3.88 -0.12 -1.26 -1.30 117.98 120.29 2kcm s PHE 49 Ca -0.07 -0.57 -0.07 0.00 -0.05 0.00 0.00 56.93 56.17 2kcm s PHE 49 Cb -0.15 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 2kcm s PHE 49 CO -0.01 -0.16 0.07 -0.51 -0.05 0.00 0.00 175.22 174.55 2kcm s ASP 50 N -1.65 5.68 0.32 1.98 1.11 0.45 -4.87 116.67 119.69 2kcm s ASP 50 Ca -0.11 0.12 -0.26 0.00 0.18 0.00 0.00 52.55 52.47 2kcm s ASP 50 Cb -0.08 -1.95 -0.14 0.00 1.07 0.00 0.00 42.92 41.82 2kcm s ASP 50 CO -0.01 0.20 0.86 -2.65 1.18 0.00 0.00 175.17 174.75 2kcm n PRO 51 N 3.36 1.03 -4.13 8.23 -0.02 -1.26 -3.00 135.00 139.21 2kcm n PRO 51 Ca -0.17 0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2kcm n PRO 51 Cb 0.52 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2kcm n PRO 51 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2kcm s THR 52 N -1.17 0.84 0.12 3.45 -1.32 -1.25 -4.88 115.64 111.42 2kcm s THR 52 Ca 0.61 -1.28 -0.31 0.00 -1.21 0.00 0.00 61.69 59.50 2kcm s THR 52 Cb -0.69 -0.94 -0.07 0.00 -1.51 0.00 0.00 72.50 69.30 2kcm s THR 52 CO 0.59 -0.36 1.29 -2.16 -2.21 0.00 0.00 174.62 171.77 2kcm s PRO 53 N -1.88 4.39 -0.02 7.08 0.04 -1.26 -4.59 135.00 138.76 2kcm s PRO 53 Ca -0.04 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 2kcm s PRO 53 Cb -0.09 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.21 2kcm s PRO 53 CO 0.01 -0.30 0.33 0.95 0.04 0.00 0.00 177.00 178.02 2kcm s THR 54 N 0.81 0.05 0.04 1.26 -4.23 -1.26 -4.95 115.64 107.36 2kcm s THR 54 Ca 0.60 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 2kcm s THR 54 Cb -0.34 -0.62 -0.14 0.00 1.34 0.00 0.00 72.50 72.74 2kcm s THR 54 CO 0.32 -0.24 1.41 1.55 -0.54 0.00 0.00 174.62 177.12 2kcm h PRO 55 N 3.93 0.27 -0.48 3.99 0.13 -1.97 -3.46 132.00 134.41 2kcm h PRO 55 Ca -0.29 -0.11 0.21 0.00 -0.87 0.00 0.00 66.00 64.94 2kcm h PRO 55 Cb 1.18 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 2kcm h PRO 55 CO 0.39 0.59 0.11 0.21 -0.23 0.00 0.00 178.00 179.08 2kcm s LYS 56 N -4.63 0.24 0.00 0.86 2.20 -1.26 -4.97 119.74 112.18 2kcm s LYS 56 Ca -0.14 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2kcm s LYS 56 Cb 0.05 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2kcm s LYS 56 CO 0.73 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 2kcm n GLY 57 N 5.38 0.85 1.42 5.54 0.00 -1.26 -5.10 105.19 112.02 2kcm n GLY 57 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.98 -3.49 0.99 4.77 -1.26 -4.49 117.00 112.55 2kcm n LEU 58 Ca 0.00 2.27 -0.15 0.00 -0.03 0.00 0.00 56.01 58.10 2kcm n LEU 58 Cb 0.00 -3.48 -0.04 0.00 -2.33 0.00 0.00 43.42 37.56 2kcm n LEU 58 CO 0.00 -2.36 0.45 0.00 -1.33 0.00 0.00 177.39 174.15 2kcm s ALA 59 N -3.98 -1.72 0.11 -1.18 0.00 -1.26 -3.86 121.76 109.86 2kcm s ALA 59 Ca 0.00 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 2kcm s ALA 59 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2kcm s ALA 59 CO 0.00 -0.51 0.28 0.00 0.00 0.00 0.00 175.76 175.53 2kcm s ALA 60 N -2.11 3.93 -0.01 0.00 0.00 -1.11 -3.96 121.76 118.51 2kcm s ALA 60 Ca -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 2kcm s ALA 60 Cb -0.00 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2kcm s ALA 60 CO 0.01 0.71 0.02 0.21 0.00 0.00 0.00 175.76 176.71 2kcm s LYS 61 N -2.72 0.01 -0.88 0.00 2.20 -1.16 -4.70 119.74 112.49 2kcm s LYS 61 Ca 0.37 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2kcm s LYS 61 Cb -0.12 -0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 2kcm s LYS 61 CO 0.27 -0.02 0.75 0.00 -0.36 0.00 0.00 175.35 175.99 2kcm n ALA 62 N 3.22 -2.55 -2.68 3.13 0.00 -1.13 -0.41 120.51 120.08 2kcm n ALA 62 Ca -0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2kcm n ALA 62 Cb 0.59 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 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 -3.15 4.87 0.22 0.00 1.01 -1.26 -4.23 121.20 118.65 2kcm s ILE 63 Ca 0.17 1.98 0.04 0.00 0.00 0.00 0.00 60.65 62.83 2kcm s ILE 63 Cb -0.04 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 2kcm s ILE 63 CO 0.79 0.18 -0.02 -0.44 0.00 0.00 0.00 174.94 175.45 2kcm s SER 64 N 0.92 1.80 -0.71 3.58 0.01 -0.42 -4.93 113.70 113.93 2kcm s SER 64 Ca 0.50 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.62 2kcm s SER 64 Cb -0.21 0.01 0.17 0.00 0.21 0.00 0.00 66.02 66.21 2kcm s SER 64 CO 0.27 -0.49 0.52 0.00 0.41 0.00 0.00 173.24 173.94 2kcm n LEU 65 N -0.38 3.11 -0.35 2.44 -0.00 -1.26 -2.61 117.00 117.95 2kcm n LEU 65 Ca -0.06 -5.23 0.00 0.00 -0.00 0.00 0.00 56.01 50.73 2kcm n LEU 65 Cb 0.63 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2kcm n LEU 65 CO 0.36 1.77 0.32 -0.81 -0.00 0.00 0.00 177.39 179.03 2kcm n PRO 66 N 1.91 0.98 -2.25 1.47 -0.04 -1.26 -4.85 135.00 130.96 2kcm n PRO 66 Ca 0.20 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 2kcm n PRO 66 Cb 0.35 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2kcm n PRO 66 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kcm s LEU 67 N -0.30 4.09 0.15 1.53 1.98 -1.26 -4.97 118.68 119.89 2kcm s LEU 67 Ca 0.00 1.72 -0.30 0.00 -2.89 0.00 0.00 54.13 52.66 2kcm s LEU 67 Cb 0.00 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.24 2kcm s LEU 67 CO 0.00 -0.98 1.17 -1.61 -1.89 0.00 0.00 176.35 173.04 2kcm s GLU 68 N 4.03 4.50 -0.17 1.98 2.02 -1.26 -5.02 118.70 124.79 2kcm s GLU 68 Ca 0.63 1.80 -0.04 0.00 0.02 0.00 0.00 54.97 57.39 2kcm s GLU 68 Cb -0.24 -3.28 0.08 0.00 0.10 0.00 0.00 34.13 30.79 2kcm s GLU 68 CO 0.23 -0.09 0.24 -1.58 0.02 0.00 0.00 175.26 174.08 2kcm s HIS 69 N 0.19 -0.34 0.16 1.61 2.46 -1.26 -5.15 115.29 112.96 2kcm s HIS 69 Ca 0.53 0.53 -0.10 0.00 0.47 0.00 0.00 55.06 56.49 2kcm s HIS 69 Cb -0.31 -0.23 -0.00 0.00 -0.13 0.00 0.00 32.58 31.91 2kcm s HIS 69 CO 0.34 -0.49 0.31 -1.01 -2.47 0.00 0.00 174.74 171.42 2kcm s HIS 70 N 2.36 0.28 0.23 3.88 3.76 -1.26 -5.05 115.29 119.50 2kcm s HIS 70 Ca 0.05 -0.65 -0.04 0.00 -0.15 0.00 0.00 55.06 54.27 2kcm s HIS 70 Cb -0.14 0.02 0.23 0.00 1.11 0.00 0.00 32.58 33.79 2kcm s HIS 70 CO -0.10 -0.73 1.69 0.45 -0.85 0.00 0.00 174.74 175.20 2kcm h HIS 71 N 2.51 0.93 0.00 1.40 3.86 -2.05 -2.96 115.15 118.85 2kcm h HIS 71 Ca -0.32 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 58.70 2kcm h HIS 71 Cb 1.23 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 2kcm h HIS 71 CO 0.39 0.88 -0.05 1.58 0.86 0.00 0.00 177.93 181.59 2kcm n HIS 72 N -4.17 0.00 -0.17 2.45 -0.00 -1.26 -4.30 115.22 107.77 2kcm n HIS 72 Ca 0.02 -0.93 -0.09 0.00 -0.00 0.00 0.00 57.72 56.72 2kcm n HIS 72 Cb 0.35 -0.66 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 2kcm n HIS 72 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kcm h HIS 73 N 1.88 0.81 0.00 1.57 2.76 -1.95 -3.53 115.15 116.68 2kcm h HIS 73 Ca 0.03 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2kcm h HIS 73 Cb 0.94 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.67 2kcm h HIS 73 CO 0.56 0.74 0.00 1.58 -1.30 0.00 0.00 177.93 179.51