#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 0.00 -1.48 0.03 2.85 -1.26 -4.48 118.16 113.82 2kcm n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kcm n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2kcm n LYS 2 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kcm n GLY 3 N 0.00 0.76 3.02 2.58 0.00 -1.15 -3.40 105.19 106.99 2kcm n GLY 3 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.43 1.26 -0.43 1.61 2.20 -0.22 -1.67 119.74 121.06 2kcm s LYS 4 Ca 0.00 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 2kcm s LYS 4 Cb 0.00 -1.12 0.02 0.00 -1.51 0.00 0.00 37.83 35.23 2kcm s LYS 4 CO 0.00 0.10 1.14 0.54 -0.36 0.00 0.00 175.35 176.77 2kcm s VAL 5 N 0.34 4.27 0.19 4.02 0.11 -1.10 -0.63 120.40 127.61 2kcm s VAL 5 Ca -0.07 1.35 0.02 0.00 -2.93 0.00 0.00 61.98 60.35 2kcm s VAL 5 Cb -0.11 -4.53 -0.10 0.00 -1.53 0.00 0.00 36.38 30.11 2kcm s VAL 5 CO 0.01 -0.85 1.46 1.62 -3.33 0.00 0.00 175.10 174.01 2kcm h VAL 6 N 6.11 1.42 -2.28 2.04 3.04 -1.86 -3.22 116.25 121.50 2kcm h VAL 6 Ca -0.23 -2.23 -0.02 0.00 -1.01 0.00 0.00 66.70 63.22 2kcm h VAL 6 Cb 1.06 2.18 -0.17 0.00 -2.01 0.00 0.00 31.29 32.35 2kcm h VAL 6 CO 1.10 0.66 0.26 -0.55 -1.01 0.00 0.00 177.57 178.03 2kcm s SER 7 N -6.93 -0.57 -0.28 3.17 0.15 -1.08 -4.71 113.70 103.45 2kcm s SER 7 Ca -0.04 0.40 0.01 0.00 0.70 0.00 0.00 55.95 57.02 2kcm s SER 7 Cb 0.11 0.52 0.16 0.00 -1.71 0.00 0.00 66.02 65.10 2kcm s SER 7 CO 0.82 -0.69 0.43 -0.47 1.20 0.00 0.00 173.24 174.53 2kcm s TYR 8 N -2.13 -1.09 -0.39 3.44 5.04 -1.26 -2.34 117.35 118.62 2kcm s TYR 8 Ca -0.05 0.56 -0.17 0.00 -2.44 0.00 0.00 57.07 54.98 2kcm s TYR 8 Cb -0.00 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.27 2kcm s TYR 8 CO 0.00 -0.94 0.42 -0.51 -1.34 0.00 0.00 175.55 173.18 2kcm s LEU 9 N 2.59 4.68 0.24 6.97 2.01 -1.12 -4.93 118.68 129.13 2kcm s LEU 9 Ca 0.11 -0.48 -0.01 0.00 0.01 0.00 0.00 54.13 53.76 2kcm s LEU 9 Cb -0.13 -2.39 0.28 0.00 0.01 0.00 0.00 46.19 43.96 2kcm s LEU 9 CO -0.27 -0.50 1.66 0.00 1.01 0.00 0.00 176.35 178.25 2kcm h ALA 10 N 8.63 0.96 -0.81 4.21 0.00 -1.94 0.12 119.26 130.42 2kcm h ALA 10 Ca -0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 2kcm h ALA 10 Cb 1.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2kcm h ALA 10 CO 0.76 0.61 0.49 0.00 0.00 0.00 0.00 179.25 181.11 2kcm h ALA 11 N 1.17 1.33 -0.18 0.00 0.00 -1.93 -0.12 119.26 119.53 2kcm h ALA 11 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kcm h ALA 11 Cb 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kcm h ALA 11 CO 0.06 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.52 2kcm n LYS 12 N -4.37 2.02 -0.85 0.00 5.02 -1.08 -4.90 118.16 114.00 2kcm n LYS 12 Ca 0.09 -1.52 -0.04 0.00 -2.02 0.00 0.00 58.31 54.81 2kcm n LYS 12 Cb 0.06 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 0.77 -1.52 -3.92 1.97 5.02 -0.00 -4.83 118.16 115.65 2kcm n LYS 13 Ca 0.17 0.33 -0.08 0.00 -2.02 0.00 0.00 58.31 56.70 2kcm n LYS 13 Cb 0.45 -4.07 -0.08 0.00 -0.02 0.00 0.00 35.03 31.31 2kcm n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2kcm s TYR 14 N -1.09 0.24 0.00 2.13 5.04 -1.00 -4.53 117.35 118.15 2kcm s TYR 14 Ca 0.00 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 2kcm s TYR 14 Cb 0.00 -0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.16 2kcm s TYR 14 CO 0.00 -0.48 0.00 0.41 -1.34 0.00 0.00 175.55 174.14 2kcm n GLY 15 N 0.08 3.10 3.05 8.97 0.00 -1.26 -2.77 105.19 116.36 2kcm n GLY 15 Ca -0.15 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.49 0.48 0.05 1.61 0.08 -0.99 -4.42 117.98 113.30 2kcm s PHE 16 Ca 0.00 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.35 2kcm s PHE 16 Cb 0.00 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 42.10 2kcm s PHE 16 CO 0.00 -0.22 -0.09 0.42 -0.10 0.00 0.00 175.22 175.22 2kcm s ILE 17 N -2.42 0.67 -0.25 0.64 1.01 -1.18 -2.62 121.20 117.04 2kcm s ILE 17 Ca -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 2kcm s ILE 17 Cb -0.03 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2kcm s ILE 17 CO -0.04 -0.35 -0.02 -1.58 0.00 0.00 0.00 174.94 172.96 2kcm s GLN 18 N -1.62 3.05 0.66 2.79 2.00 0.20 -3.00 119.66 123.74 2kcm s GLN 18 Ca -0.08 -0.85 -0.11 0.00 -2.00 0.00 0.00 55.36 52.32 2kcm s GLN 18 Cb -0.10 -3.10 -0.01 0.00 0.80 0.00 0.00 33.01 30.60 2kcm s GLN 18 CO 0.01 -0.36 1.05 0.20 -0.50 0.00 0.00 175.29 175.69 2kcm s GLY 19 N 1.41 1.65 0.28 2.59 0.00 -0.32 -1.06 107.32 111.88 2kcm s GLY 19 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.64 2kcm s GLY 19 CO -0.02 0.20 1.79 -0.55 0.00 0.00 0.00 173.10 174.52 2kcm h ASP 20 N -0.50 0.67 -0.24 1.64 3.32 -1.83 -1.38 116.42 118.10 2kcm h ASP 20 Ca -0.44 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2kcm h ASP 20 Cb 1.21 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.58 2kcm h ASP 20 CO 0.61 0.75 0.00 -0.67 -1.72 0.00 0.00 179.24 178.21 2kcm n ASP 21 N -4.23 1.33 0.00 6.45 2.03 -1.26 -4.83 116.55 116.04 2kcm n ASP 21 Ca 0.02 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.38 2kcm n ASP 21 Cb 0.29 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.92 0.70 3.63 0.27 0.00 -0.52 -5.01 105.19 105.17 2kcm n GLY 22 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.28 4.10 0.54 1.61 0.41 -1.26 -4.67 118.70 119.16 2kcm s GLU 23 Ca 0.00 0.68 -0.17 0.00 -0.41 0.00 0.00 54.97 55.07 2kcm s GLU 23 Cb 0.00 -3.67 -0.06 0.00 -1.78 0.00 0.00 34.13 28.62 2kcm s GLU 23 CO 0.00 -0.51 1.04 -1.12 -0.49 0.00 0.00 175.26 174.18 2kcm s SER 24 N 1.46 6.11 -0.03 -0.19 0.01 -1.26 -1.18 113.70 118.62 2kcm s SER 24 Ca 0.30 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.39 2kcm s SER 24 Cb -0.15 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.56 2kcm s SER 24 CO 0.09 -0.94 -0.04 -0.31 0.41 0.00 0.00 173.24 172.45 2kcm s TYR 25 N -2.33 0.61 0.28 2.43 2.02 -1.16 -4.57 117.35 114.62 2kcm s TYR 25 Ca 0.64 -0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 2kcm s TYR 25 Cb -0.15 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 40.79 2kcm s TYR 25 CO 0.30 -0.13 1.02 -0.06 -1.57 0.00 0.00 175.55 175.11 2kcm s PHE 26 N 0.64 3.73 -0.23 2.71 0.40 -1.25 -3.09 117.98 120.89 2kcm s PHE 26 Ca -0.08 1.79 -0.02 0.00 -0.60 0.00 0.00 56.93 58.03 2kcm s PHE 26 Cb -0.11 -3.12 0.02 0.00 0.51 0.00 0.00 43.02 40.32 2kcm s PHE 26 CO -0.00 -0.08 -0.09 -1.17 0.70 0.00 0.00 175.22 174.58 2kcm s LEU 27 N -1.48 2.88 0.15 -0.37 0.20 -1.26 -2.62 118.68 116.18 2kcm s LEU 27 Ca 0.45 -0.70 -0.01 0.00 0.69 0.00 0.00 54.13 54.55 2kcm s LEU 27 Cb -0.28 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 2kcm s LEU 27 CO 0.35 -0.07 0.07 -2.28 -0.29 0.00 0.00 176.35 174.13 2kcm s HIS 28 N 1.35 0.98 0.21 5.38 2.46 -1.26 -4.02 115.29 120.39 2kcm s HIS 28 Ca 0.03 -1.26 -0.09 0.00 0.47 0.00 0.00 55.06 54.21 2kcm s HIS 28 Cb -0.15 -0.53 0.16 0.00 -0.13 0.00 0.00 32.58 31.93 2kcm s HIS 28 CO -0.06 -0.52 1.80 0.74 -2.47 0.00 0.00 174.74 174.23 2kcm h PHE 29 N 2.78 1.13 0.00 3.88 -1.00 -1.96 -1.58 116.94 120.19 2kcm h PHE 29 Ca -0.36 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.37 2kcm h PHE 29 Cb 1.21 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2kcm h PHE 29 CO 0.42 0.82 0.00 1.03 -1.61 0.00 0.00 178.31 178.98 2kcm h SER 30 N 1.11 0.00 0.26 2.17 0.87 -1.98 0.23 113.55 116.21 2kcm h SER 30 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2kcm h SER 30 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2kcm h SER 30 CO -0.03 0.00 -0.46 -0.62 -0.53 0.00 0.00 176.83 175.18 2kcm n GLU 31 N -2.72 0.51 -3.08 2.24 1.02 -0.60 -4.85 120.64 113.16 2kcm n GLU 31 Ca -0.02 -0.34 -0.40 0.00 -0.02 0.00 0.00 57.16 56.38 2kcm n GLU 31 Cb 0.06 -1.49 -0.05 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 -2.72 4.19 0.18 -4.62 1.43 0.80 -3.51 118.68 114.42 2kcm s LEU 32 Ca 0.17 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 2kcm s LEU 32 Cb 0.18 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.50 2kcm s LEU 32 CO 0.63 -0.24 1.70 -0.07 0.23 0.00 0.00 176.35 178.60 2kcm h LEU 33 N 7.82 0.90 -8.10 1.79 3.38 -1.84 -3.42 115.31 115.84 2kcm h LEU 33 Ca -0.34 -0.21 -0.55 0.00 0.09 0.00 0.00 57.88 56.87 2kcm h LEU 33 Cb 1.15 -0.24 -0.33 0.00 0.09 0.00 0.00 40.66 41.34 2kcm h LEU 33 CO 0.78 0.87 -0.83 -0.62 0.09 0.00 0.00 178.44 178.73 2kcm s ASP 34 N -6.24 2.08 0.31 -0.43 -1.08 -1.26 -5.02 116.67 105.03 2kcm s ASP 34 Ca -0.13 -0.36 0.02 0.00 -0.52 0.00 0.00 52.55 51.57 2kcm s ASP 34 Cb 0.13 -0.88 0.51 0.00 -1.46 0.00 0.00 42.92 41.23 2kcm s ASP 34 CO 0.81 0.08 1.86 0.11 0.52 0.00 0.00 175.17 178.56 2kcm h LYS 35 N 6.77 0.68 -0.63 4.34 1.79 -1.94 -2.34 116.57 125.24 2kcm h LYS 35 Ca -0.29 -0.13 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2kcm h LYS 35 Cb 1.19 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 2kcm h LYS 35 CO 0.47 0.64 0.39 0.87 -1.08 0.00 0.00 179.45 180.75 2kcm h LYS 36 N 0.66 0.85 0.00 3.15 1.57 -1.98 -0.06 116.57 120.75 2kcm h LYS 36 Ca 0.15 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kcm h LYS 36 Cb 0.28 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kcm h LYS 36 CO 0.00 0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 179.22 2kcm n ASP 37 N -4.42 0.02 -0.14 0.86 8.00 -0.88 -2.03 116.55 117.96 2kcm n ASP 37 Ca 0.06 0.51 -0.09 0.00 0.71 0.00 0.00 54.79 55.98 2kcm n ASP 37 Cb 0.06 -0.51 0.06 0.00 -0.02 0.00 0.00 41.12 40.71 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 0.90 -0.00 -1.24 4.22 -1.08 -2.49 114.58 114.90 2kcm h GLU 38 Ca 0.00 -0.34 0.00 0.00 0.08 0.00 0.00 59.36 59.10 2kcm h GLU 38 Cb 0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kcm h GLU 38 CO 0.00 0.99 -0.09 0.41 -2.18 0.00 0.00 179.01 178.14 2kcm n GLY 39 N -0.29 -1.38 1.10 1.92 0.00 -0.86 -3.09 105.19 102.59 2kcm n GLY 39 Ca 0.01 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.42 2.44 -1.27 1.61 5.02 -0.95 -4.97 118.16 118.61 2kcm n LYS 40 Ca 0.08 -2.17 -0.33 0.00 -2.02 0.00 0.00 58.31 53.87 2kcm n LYS 40 Cb 0.32 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.49 3.19 -0.08 -0.35 1.43 -1.12 -5.00 118.68 115.26 2kcm s LEU 41 Ca 0.38 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.76 2kcm s LEU 41 Cb 0.22 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.87 2kcm s LEU 41 CO 0.31 -2.39 -0.18 0.54 0.23 0.00 0.00 176.35 174.86 2kcm s VAL 42 N -2.25 1.60 -0.12 -1.59 0.11 -1.26 -5.11 120.40 111.78 2kcm s VAL 42 Ca 0.71 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 2kcm s VAL 42 Cb -0.26 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.13 2kcm s VAL 42 CO 0.49 0.46 0.22 -0.75 -3.33 0.00 0.00 175.10 172.18 2kcm s LYS 43 N 0.47 3.84 0.00 1.54 2.20 -1.26 -4.28 119.74 122.25 2kcm s LYS 43 Ca -0.16 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2kcm s LYS 43 Cb -0.17 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2kcm s LYS 43 CO 0.06 0.56 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 2kcm n GLY 44 N 2.55 0.44 3.33 5.54 0.00 -1.21 -5.05 105.19 110.79 2kcm n GLY 44 Ca -0.16 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.93 1.49 0.29 1.61 0.01 -1.26 -5.00 113.70 107.91 2kcm s SER 45 Ca 0.00 -1.53 -0.28 0.00 1.31 0.00 0.00 55.95 55.45 2kcm s SER 45 Cb 0.00 0.35 -0.09 0.00 0.21 0.00 0.00 66.02 66.49 2kcm s SER 45 CO 0.00 -0.86 0.98 -0.04 0.41 0.00 0.00 173.24 173.73 2kcm s MET 46 N -3.85 4.65 0.18 12.44 -1.94 -1.26 -2.69 119.30 126.83 2kcm s MET 46 Ca 0.36 1.50 0.03 0.00 -1.71 0.00 0.00 55.69 55.86 2kcm s MET 46 Cb 0.05 -3.02 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 2kcm s MET 46 CO 0.17 0.31 -0.03 0.14 -0.01 0.00 0.00 175.02 175.59 2kcm s VAL 47 N -1.38 0.93 -0.06 -6.03 -7.23 -0.67 -4.83 120.40 101.14 2kcm s VAL 47 Ca 0.47 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2kcm s VAL 47 Cb -0.24 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2kcm s VAL 47 CO 0.30 -0.51 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.35 2kcm s HIS 48 N -3.49 2.32 0.07 2.82 3.76 -1.11 -2.94 115.29 116.72 2kcm s HIS 48 Ca 0.23 -0.69 -0.16 0.00 -0.15 0.00 0.00 55.06 54.29 2kcm s HIS 48 Cb 0.05 -1.52 0.03 0.00 1.11 0.00 0.00 32.58 32.25 2kcm s HIS 48 CO 0.04 -0.21 0.37 -0.59 -0.85 0.00 0.00 174.74 173.51 2kcm s PHE 49 N -0.13 -0.19 0.26 1.40 -0.12 -1.26 -0.14 117.98 117.79 2kcm s PHE 49 Ca -0.04 0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 56.87 2kcm s PHE 49 Cb -0.13 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2kcm s PHE 49 CO 0.03 -0.59 0.45 -0.51 -0.05 0.00 0.00 175.22 174.56 2kcm s ASP 50 N -2.29 6.36 0.60 1.98 1.11 0.30 -4.69 116.67 120.05 2kcm s ASP 50 Ca -0.02 0.42 -0.19 0.00 0.18 0.00 0.00 52.55 52.94 2kcm s ASP 50 Cb 0.00 -2.02 -0.04 0.00 1.07 0.00 0.00 42.92 41.93 2kcm s ASP 50 CO -0.06 -0.14 1.11 -2.65 1.18 0.00 0.00 175.17 174.61 2kcm n PRO 51 N -1.09 1.08 -3.73 8.23 -0.02 -1.26 -1.63 135.00 136.58 2kcm n PRO 51 Ca -0.05 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 2kcm n PRO 51 Cb 0.55 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.44 1.17 0.30 3.45 2.01 -1.25 -4.49 115.64 115.39 2kcm s THR 52 Ca 0.77 -2.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 2kcm s THR 52 Cb -0.41 -1.85 -0.13 0.00 0.01 0.00 0.00 72.50 70.11 2kcm s THR 52 CO 0.46 -0.79 1.18 -2.65 -0.69 0.00 0.00 174.62 172.13 2kcm n PRO 53 N 4.18 1.74 -3.64 4.92 -0.02 -1.26 -4.45 135.00 136.47 2kcm n PRO 53 Ca 0.04 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2kcm n PRO 53 Cb 0.38 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 2kcm n PRO 53 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2kcm s THR 54 N -0.91 0.00 0.32 3.45 -1.32 -1.26 -5.01 115.64 110.90 2kcm s THR 54 Ca 0.59 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.12 2kcm s THR 54 Cb -0.65 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.46 2kcm s THR 54 CO 0.59 0.00 1.81 1.55 -2.21 0.00 0.00 174.62 176.36 2kcm h PRO 55 N 2.62 0.44 -1.34 7.08 0.13 -2.03 -3.45 132.00 135.44 2kcm h PRO 55 Ca -0.18 -0.13 0.15 0.00 -0.87 0.00 0.00 66.00 64.97 2kcm h PRO 55 Cb 1.19 -0.05 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 2kcm h PRO 55 CO 0.20 0.58 0.56 0.21 -0.23 0.00 0.00 178.00 179.32 2kcm s LYS 56 N -4.69 0.25 0.00 0.86 2.20 -1.26 -5.00 119.74 112.10 2kcm s LYS 56 Ca -0.07 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2kcm s LYS 56 Cb 0.15 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 2kcm s LYS 56 CO 0.77 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 2kcm n GLY 57 N 3.18 2.06 1.64 5.54 0.00 -1.26 -5.08 105.19 111.27 2kcm n GLY 57 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.90 -3.50 0.99 7.99 -1.26 -4.67 117.00 114.65 2kcm n LEU 58 Ca 0.00 2.98 -0.10 0.00 -0.01 0.00 0.00 56.01 58.87 2kcm n LEU 58 Cb 0.00 -3.24 -0.03 0.00 -0.11 0.00 0.00 43.42 40.04 2kcm n LEU 58 CO 0.00 -0.32 0.63 0.00 -1.51 0.00 0.00 177.39 176.19 2kcm s ALA 59 N -4.69 -1.80 -0.16 -1.18 0.00 -1.26 -3.81 121.76 108.86 2kcm s ALA 59 Ca 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 2kcm s ALA 59 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2kcm s ALA 59 CO 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 175.76 175.25 2kcm s ALA 60 N -2.69 3.58 -0.08 0.00 0.00 -1.08 -3.86 121.76 117.63 2kcm s ALA 60 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2kcm s ALA 60 Cb -0.01 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2kcm s ALA 60 CO -0.06 0.33 -0.15 0.21 0.00 0.00 0.00 175.76 176.10 2kcm s LYS 61 N -0.13 2.86 -0.89 0.00 2.20 -0.65 -4.75 119.74 118.38 2kcm s LYS 61 Ca 0.08 -0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2kcm s LYS 61 Cb -0.12 -2.46 -0.01 0.00 -1.51 0.00 0.00 37.83 33.73 2kcm s LYS 61 CO 0.01 0.44 0.72 0.00 -0.36 0.00 0.00 175.35 176.15 2kcm n ALA 62 N 2.85 -2.60 -1.93 3.13 0.00 -1.25 0.11 120.51 120.83 2kcm n ALA 62 Ca -0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 2kcm n ALA 62 Cb 0.52 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 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 -3.14 3.49 0.07 0.00 1.01 -1.23 -3.83 121.20 117.57 2kcm s ILE 63 Ca 0.16 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.21 2kcm s ILE 63 Cb -0.05 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 2kcm s ILE 63 CO 0.82 0.27 -0.12 -0.94 0.00 0.00 0.00 174.94 174.96 2kcm s SER 64 N -0.30 1.47 -0.64 3.58 1.04 0.80 -4.63 113.70 115.02 2kcm s SER 64 Ca 0.49 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.36 2kcm s SER 64 Cb -0.33 -0.03 0.16 0.00 0.10 0.00 0.00 66.02 65.93 2kcm s SER 64 CO 0.39 -0.12 0.43 -1.48 0.98 0.00 0.00 173.24 173.44 2kcm s LEU 65 N -1.74 4.54 0.00 2.42 2.34 -1.26 -2.75 118.68 122.23 2kcm s LEU 65 Ca -0.03 -3.60 0.20 0.00 0.06 0.00 0.00 54.13 50.76 2kcm s LEU 65 Cb -0.10 -1.58 1.21 0.00 -0.56 0.00 0.00 46.19 45.15 2kcm s LEU 65 CO 0.02 -0.13 1.78 -0.81 -1.06 0.00 0.00 176.35 176.15 2kcm n PRO 66 N 2.31 1.00 0.00 1.48 -0.04 -1.26 -3.22 135.00 135.27 2kcm n PRO 66 Ca 0.16 -0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2kcm n PRO 66 Cb 0.35 -1.32 0.66 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.81 0.57 0.00 1.53 4.32 -1.26 -4.82 117.00 116.53 2kcm n LEU 67 Ca 0.15 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2kcm n LEU 67 Cb 0.07 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2kcm n LEU 67 CO 0.11 0.10 0.00 -1.84 -1.22 0.00 0.00 177.39 174.54 2kcm n GLU 68 N -0.76 2.43 -3.02 3.23 0.28 -1.20 -4.80 120.64 116.80 2kcm n GLU 68 Ca 0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.13 2kcm n GLU 68 Cb 0.26 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.13 2kcm n GLU 68 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kcm n HIS 69 N -0.04 -3.13 -2.73 -1.84 -0.00 -1.26 -5.01 115.22 101.20 2kcm n HIS 69 Ca 0.00 1.22 -0.05 0.00 0.46 0.00 0.00 57.72 59.35 2kcm n HIS 69 Cb 0.00 -4.04 0.03 0.00 -0.12 0.00 0.00 29.99 25.86 2kcm n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcm n HIS 70 N -1.29 -2.91 -3.88 1.57 -0.00 -1.26 -5.15 115.22 102.29 2kcm n HIS 70 Ca 0.03 -1.30 -0.09 0.00 -0.00 0.00 0.00 57.72 56.36 2kcm n HIS 70 Cb 0.50 1.41 -0.05 0.00 -0.00 0.00 0.00 29.99 31.85 2kcm n HIS 70 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcm s HIS 71 N 0.77 0.18 -0.30 1.57 -3.43 -1.26 -5.16 115.29 107.65 2kcm s HIS 71 Ca 0.29 -0.53 -0.12 0.00 -0.80 0.00 0.00 55.06 53.89 2kcm s HIS 71 Cb 0.11 0.20 0.15 0.00 -1.43 0.00 0.00 32.58 31.61 2kcm s HIS 71 CO -0.12 -0.89 0.85 -1.58 -2.00 0.00 0.00 174.74 171.01 2kcm s HIS 72 N -3.95 -0.95 -0.19 0.38 2.46 -1.26 -5.16 115.29 106.62 2kcm s HIS 72 Ca 0.15 1.59 -0.19 0.00 0.47 0.00 0.00 55.06 57.09 2kcm s HIS 72 Cb 0.00 0.55 0.05 0.00 -0.13 0.00 0.00 32.58 33.05 2kcm s HIS 72 CO 0.02 -0.48 0.53 -1.58 -2.47 0.00 0.00 174.74 170.76 2kcm s HIS 73 N 2.65 -0.57 0.00 3.88 5.04 -1.26 -5.36 115.29 119.66 2kcm s HIS 73 Ca -0.03 1.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.88 2kcm s HIS 73 Cb -0.09 0.20 0.00 0.00 0.04 0.00 0.00 32.58 32.74 2kcm s HIS 73 CO -0.18 -0.29 0.00 1.58 -2.34 0.00 0.00 174.74 173.51