#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 1.21 0.02 0.03 1.02 -1.26 -3.21 119.74 117.54 2kcm s LYS 2 Ca 0.00 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 54.93 2kcm s LYS 2 Cb 0.00 -1.33 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2kcm s LYS 2 CO 0.00 0.33 0.53 0.41 -0.92 0.00 0.00 175.35 175.70 2kcm n GLY 3 N 1.69 0.60 2.91 -3.33 0.00 -1.21 -2.25 105.19 103.60 2kcm n GLY 3 Ca -0.18 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 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 0.52 -0.17 1.61 2.20 -0.73 -1.89 119.74 119.27 2kcm s LYS 4 Ca 0.12 -0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 2kcm s LYS 4 Cb -0.01 -0.56 -0.01 0.00 -1.51 0.00 0.00 37.83 35.75 2kcm s LYS 4 CO 0.00 -0.00 1.23 0.54 -0.36 0.00 0.00 175.35 176.77 2kcm s VAL 5 N 0.45 4.33 -0.13 4.02 0.11 -1.07 -1.02 120.40 127.09 2kcm s VAL 5 Ca -0.05 1.61 -0.04 0.00 -2.93 0.00 0.00 61.98 60.57 2kcm s VAL 5 Cb -0.09 -4.04 -0.25 0.00 -1.53 0.00 0.00 36.38 30.48 2kcm s VAL 5 CO -0.00 -0.14 0.34 0.55 -3.33 0.00 0.00 175.10 172.51 2kcm n VAL 6 N 5.36 1.74 -4.14 2.04 3.14 -1.14 -3.83 118.33 121.50 2kcm n VAL 6 Ca 0.14 -0.66 -0.15 0.00 -2.96 0.00 0.00 64.34 60.70 2kcm n VAL 6 Cb 0.45 -1.63 -0.12 0.00 -1.06 0.00 0.00 33.84 31.48 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 -6.89 1.06 -0.30 6.55 0.01 -0.94 -4.89 113.70 108.30 2kcm s SER 7 Ca -0.22 -0.47 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 2kcm s SER 7 Cb 0.07 -0.02 0.15 0.00 0.21 0.00 0.00 66.02 66.43 2kcm s SER 7 CO 0.76 -0.10 0.67 -0.47 0.41 0.00 0.00 173.24 174.51 2kcm s TYR 8 N -1.07 -1.34 -0.27 2.43 5.04 -1.26 -2.16 117.35 118.72 2kcm s TYR 8 Ca -0.05 2.08 0.02 0.00 -2.44 0.00 0.00 57.07 56.67 2kcm s TYR 8 Cb -0.08 0.71 0.06 0.00 0.35 0.00 0.00 41.96 43.00 2kcm s TYR 8 CO 0.01 -0.68 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.94 2kcm s LEU 9 N 2.86 3.53 0.21 6.97 1.43 -0.27 -4.98 118.68 128.43 2kcm s LEU 9 Ca 0.00 -1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 51.70 2kcm s LEU 9 Cb -0.12 -1.59 0.17 0.00 0.03 0.00 0.00 46.19 44.68 2kcm s LEU 9 CO -0.19 -0.20 1.65 0.00 0.23 0.00 0.00 176.35 177.83 2kcm h ALA 10 N 7.83 0.89 -0.81 4.21 0.00 -1.95 0.77 119.26 130.20 2kcm h ALA 10 Ca -0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2kcm h ALA 10 Cb 1.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2kcm h ALA 10 CO 0.48 0.63 0.42 0.00 0.00 0.00 0.00 179.25 180.79 2kcm h ALA 11 N 1.07 1.22 -0.18 0.00 0.00 -1.95 -2.13 119.26 117.29 2kcm h ALA 11 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kcm h ALA 11 Cb 0.66 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kcm h ALA 11 CO 0.05 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.54 2kcm n LYS 12 N -4.33 2.30 -4.26 0.00 5.02 -1.11 -4.95 118.16 110.83 2kcm n LYS 12 Ca 0.08 -2.03 -0.37 0.00 -2.02 0.00 0.00 58.31 53.97 2kcm n LYS 12 Cb 0.11 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.35 -1.88 -3.83 1.97 5.02 0.26 -4.89 118.16 116.16 2kcm n LYS 13 Ca 0.16 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.59 2kcm n LYS 13 Cb 0.58 -4.88 -0.07 0.00 -0.02 0.00 0.00 35.03 30.64 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 -3.17 0.07 0.00 2.13 5.04 -0.82 -4.03 117.35 116.57 2kcm s TYR 14 Ca 0.74 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.96 2kcm s TYR 14 Cb -0.42 -0.01 0.00 0.00 0.35 0.00 0.00 41.96 41.88 2kcm s TYR 14 CO 0.91 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 2kcm n GLY 15 N 0.21 0.96 3.17 8.97 0.00 -1.25 -1.11 105.19 116.14 2kcm n GLY 15 Ca -0.17 -0.68 -0.14 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 -2.44 1.01 -0.02 1.61 0.08 -0.92 -3.08 117.98 114.22 2kcm s PHE 16 Ca 0.00 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2kcm s PHE 16 Cb 0.00 -0.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.89 2kcm s PHE 16 CO 0.00 -0.03 -0.08 0.42 -0.10 0.00 0.00 175.22 175.43 2kcm s ILE 17 N -2.59 0.67 -0.44 0.64 1.01 -0.23 -2.23 121.20 118.03 2kcm s ILE 17 Ca 0.06 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 2kcm s ILE 17 Cb -0.02 -0.59 0.03 0.00 0.01 0.00 0.00 42.46 41.90 2kcm s ILE 17 CO -0.01 0.20 0.52 -1.58 0.00 0.00 0.00 174.94 174.08 2kcm s GLN 18 N 0.06 3.14 0.54 2.79 0.74 -0.19 0.63 119.66 127.36 2kcm s GLN 18 Ca -0.01 -0.70 -0.20 0.00 0.05 0.00 0.00 55.36 54.51 2kcm s GLN 18 Cb -0.06 -3.99 -0.06 0.00 1.10 0.00 0.00 33.01 30.00 2kcm s GLN 18 CO -0.00 -0.96 1.15 0.20 -0.55 0.00 0.00 175.29 175.13 2kcm s GLY 19 N 2.02 2.67 0.51 2.59 0.00 -0.48 -1.78 107.32 112.86 2kcm s GLY 19 Ca 0.15 0.87 0.29 0.00 0.00 0.00 0.00 44.72 46.03 2kcm s GLY 19 CO 0.15 1.25 1.97 1.29 0.00 0.00 0.00 173.10 177.75 2kcm h ASP 20 N 1.30 0.00 0.25 1.64 2.03 -1.72 -1.51 116.42 118.42 2kcm h ASP 20 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2kcm h ASP 20 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2kcm h ASP 20 CO 0.57 0.12 0.00 -0.67 -1.03 0.00 0.00 179.24 178.23 2kcm n ASP 21 N -3.33 0.00 0.00 4.15 -0.08 -1.26 -4.83 116.55 111.19 2kcm n ASP 21 Ca -0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 2kcm n ASP 21 Cb 0.32 -0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.63 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kcm n GLY 22 N 0.71 3.14 3.72 0.27 0.00 -0.57 -5.04 105.19 107.43 2kcm n GLY 22 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2kcm n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcm s GLU 23 N -0.94 4.40 0.39 1.61 -1.05 -1.26 -4.76 118.70 117.09 2kcm s GLU 23 Ca 0.00 0.76 -0.24 0.00 -0.15 0.00 0.00 54.97 55.33 2kcm s GLU 23 Cb 0.00 -3.43 -0.09 0.00 -0.44 0.00 0.00 34.13 30.16 2kcm s GLU 23 CO 0.00 0.12 1.03 0.45 0.95 0.00 0.00 175.26 177.81 2kcm s SER 24 N 0.65 6.86 -0.03 0.83 0.15 -1.26 -1.38 113.70 119.52 2kcm s SER 24 Ca 0.34 1.99 0.06 0.00 0.70 0.00 0.00 55.95 59.04 2kcm s SER 24 Cb -0.17 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.53 2kcm s SER 24 CO 0.16 -0.41 -0.21 -0.31 1.20 0.00 0.00 173.24 173.67 2kcm s TYR 25 N -1.68 2.50 0.37 3.44 2.02 0.20 -4.78 117.35 119.42 2kcm s TYR 25 Ca 0.57 -0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.69 2kcm s TYR 25 Cb -0.21 -1.56 -0.09 0.00 -0.40 0.00 0.00 41.96 39.70 2kcm s TYR 25 CO 0.26 0.06 1.11 -0.06 -1.57 0.00 0.00 175.55 175.35 2kcm s PHE 26 N -0.65 3.27 -0.25 2.71 0.40 -1.22 -1.06 117.98 121.18 2kcm s PHE 26 Ca 0.10 1.62 -0.06 0.00 -0.60 0.00 0.00 56.93 57.99 2kcm s PHE 26 Cb -0.10 -3.27 -0.02 0.00 0.51 0.00 0.00 43.02 40.14 2kcm s PHE 26 CO -0.00 -0.88 0.04 -1.17 0.70 0.00 0.00 175.22 173.90 2kcm s LEU 27 N -2.28 3.32 -0.07 -0.37 0.20 -1.18 -2.91 118.68 115.39 2kcm s LEU 27 Ca 0.54 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 55.05 2kcm s LEU 27 Cb -0.28 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.64 2kcm s LEU 27 CO 0.35 -0.05 -0.11 -1.00 -0.29 0.00 0.00 176.35 175.25 2kcm s HIS 28 N 1.56 1.43 0.32 5.38 3.76 -1.26 -3.76 115.29 122.72 2kcm s HIS 28 Ca 0.06 -0.56 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 2kcm s HIS 28 Cb -0.15 -1.08 0.55 0.00 1.11 0.00 0.00 32.58 33.01 2kcm s HIS 28 CO 0.01 -0.31 1.84 0.27 -0.85 0.00 0.00 174.74 175.70 2kcm h PHE 29 N 7.18 0.57 -0.25 1.40 -5.15 -1.98 -2.67 116.94 116.05 2kcm h PHE 29 Ca -0.31 -0.07 -0.04 0.00 -0.20 0.00 0.00 57.97 57.35 2kcm h PHE 29 Cb 1.18 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 37.17 2kcm h PHE 29 CO 0.49 0.58 -0.01 0.77 -2.00 0.00 0.00 178.31 178.13 2kcm h SER 30 N 0.52 0.35 0.00 -0.68 0.02 -1.95 -1.43 113.55 110.38 2kcm h SER 30 Ca 0.11 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kcm h SER 30 Cb 0.38 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2kcm h SER 30 CO 0.02 0.42 0.00 -0.62 -1.14 0.00 0.00 176.83 175.51 2kcm n GLU 31 N -4.32 0.65 -2.79 3.45 1.02 -1.01 -4.76 120.64 112.88 2kcm n GLU 31 Ca 0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 2kcm n GLU 31 Cb 0.22 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.72 4.41 0.21 -4.62 1.43 -0.54 -3.37 118.68 114.48 2kcm s LEU 32 Ca 0.23 1.84 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2kcm s LEU 32 Cb 0.10 -3.89 0.15 0.00 0.03 0.00 0.00 46.19 42.58 2kcm s LEU 32 CO 0.17 -0.01 1.77 -0.07 0.23 0.00 0.00 176.35 178.45 2kcm h LEU 33 N 3.42 1.09 -6.95 1.79 3.38 -1.86 -3.39 115.31 112.80 2kcm h LEU 33 Ca -0.46 -0.18 -0.54 0.00 0.09 0.00 0.00 57.88 56.79 2kcm h LEU 33 Cb 1.19 -0.28 -0.40 0.00 0.09 0.00 0.00 40.66 41.26 2kcm h LEU 33 CO 0.66 0.97 -0.77 1.51 0.09 0.00 0.00 178.44 180.90 2kcm s ASP 34 N -6.35 3.49 0.00 -0.43 1.47 -1.26 -4.97 116.67 108.62 2kcm s ASP 34 Ca -0.12 -1.27 0.00 0.00 1.18 0.00 0.00 52.55 52.33 2kcm s ASP 34 Cb 0.15 -0.49 0.00 0.00 -0.34 0.00 0.00 42.92 42.24 2kcm s ASP 34 CO 0.84 -0.41 0.67 0.29 0.68 0.00 0.00 175.17 177.23 2kcm n LYS 35 N 5.13 0.00 0.17 2.11 5.02 -1.26 -0.37 118.16 128.96 2kcm n LYS 35 Ca -0.05 0.22 0.01 0.00 -2.02 0.00 0.00 58.31 56.47 2kcm n LYS 35 Cb 0.43 -1.64 0.31 0.00 -0.02 0.00 0.00 35.03 34.11 2kcm n LYS 35 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2kcm h LYS 36 N 0.00 0.01 0.00 1.97 2.10 -1.96 -1.96 116.57 116.73 2kcm h LYS 36 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kcm h LYS 36 Cb 0.28 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2kcm h LYS 36 CO 0.00 0.44 0.00 -0.40 -2.00 0.00 0.00 179.45 177.49 2kcm n ASP 37 N -4.03 0.00 -0.30 7.07 5.68 0.50 -3.81 116.55 121.66 2kcm n ASP 37 Ca -0.02 -0.58 0.11 0.00 -0.50 0.00 0.00 54.79 53.81 2kcm n ASP 37 Cb 0.45 -0.13 0.28 0.00 -1.14 0.00 0.00 41.12 40.58 2kcm n ASP 37 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2kcm h GLU 38 N 0.00 0.47 -0.00 0.11 4.57 -1.50 0.81 114.58 119.04 2kcm h GLU 38 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2kcm h GLU 38 Cb 0.13 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kcm h GLU 38 CO 0.00 0.31 -0.20 0.41 -1.18 0.00 0.00 179.01 178.35 2kcm n GLY 39 N -1.33 -1.08 0.76 1.92 0.00 -1.25 -3.35 105.19 100.86 2kcm n GLY 39 Ca 0.20 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.15 2.04 -1.80 1.61 4.81 0.27 -4.95 118.16 119.01 2kcm n LYS 40 Ca 0.11 -1.53 -0.34 0.00 -0.87 0.00 0.00 58.31 55.67 2kcm n LYS 40 Cb 0.31 -1.47 0.05 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.87 3.48 -0.15 3.14 1.43 -0.67 -5.00 118.68 119.04 2kcm s LEU 41 Ca 0.34 2.22 -0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2kcm s LEU 41 Cb 0.20 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 2kcm s LEU 41 CO 0.31 -1.74 -0.14 0.54 0.23 0.00 0.00 176.35 175.55 2kcm s VAL 42 N -1.98 2.81 -0.12 -1.59 0.11 -1.26 -5.10 120.40 113.27 2kcm s VAL 42 Ca 0.72 -0.72 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2kcm s VAL 42 Cb -0.26 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2kcm s VAL 42 CO 0.38 0.51 0.17 -0.75 -3.33 0.00 0.00 175.10 172.08 2kcm s LYS 43 N 0.72 3.56 0.00 1.54 2.20 -1.26 -4.35 119.74 122.15 2kcm s LYS 43 Ca -0.06 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2kcm s LYS 43 Cb -0.15 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2kcm s LYS 43 CO 0.01 0.72 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 2kcm n GLY 44 N 2.12 0.52 3.25 5.54 0.00 -1.25 -5.04 105.19 110.33 2kcm n GLY 44 Ca -0.19 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 2kcm n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kcm n SER 45 N 1.74 -0.99 -4.79 1.61 2.88 -1.26 -5.01 113.62 107.80 2kcm n SER 45 Ca 0.00 -3.04 -0.35 0.00 -1.33 0.00 0.00 58.87 54.14 2kcm n SER 45 Cb 0.23 2.05 -0.06 0.00 -0.75 0.00 0.00 64.21 65.68 2kcm n SER 45 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2kcm s MET 46 N -3.10 4.30 0.13 -1.46 -1.94 -1.26 -2.61 119.30 113.36 2kcm s MET 46 Ca 0.35 1.33 0.02 0.00 -1.71 0.00 0.00 55.69 55.68 2kcm s MET 46 Cb 0.01 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2kcm s MET 46 CO 0.25 0.01 -0.05 0.14 -0.01 0.00 0.00 175.02 175.36 2kcm s VAL 47 N -1.81 0.74 -0.14 -6.03 -7.23 -0.79 -4.87 120.40 100.27 2kcm s VAL 47 Ca 0.57 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.79 2kcm s VAL 47 Cb -0.17 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2kcm s VAL 47 CO 0.22 -0.72 -0.19 -2.28 -0.31 0.00 0.00 175.10 171.82 2kcm s HIS 48 N -3.60 2.71 0.06 2.82 5.65 -1.06 -3.30 115.29 118.56 2kcm s HIS 48 Ca 0.17 -1.15 -0.15 0.00 0.25 0.00 0.00 55.06 54.18 2kcm s HIS 48 Cb 0.05 -1.83 0.03 0.00 -1.18 0.00 0.00 32.58 29.64 2kcm s HIS 48 CO -0.01 -0.51 0.35 -0.59 -0.65 0.00 0.00 174.74 173.33 2kcm s PHE 49 N 0.73 -0.16 0.31 3.88 -0.12 -1.20 -0.57 117.98 120.84 2kcm s PHE 49 Ca -0.08 0.02 0.07 0.00 -0.05 0.00 0.00 56.93 56.90 2kcm s PHE 49 Cb -0.16 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2kcm s PHE 49 CO 0.01 -0.56 0.24 -0.51 -0.05 0.00 0.00 175.22 174.35 2kcm s ASP 50 N -2.18 5.31 0.56 1.98 1.01 -0.78 -0.06 116.67 122.50 2kcm s ASP 50 Ca -0.03 -0.43 -0.21 0.00 0.71 0.00 0.00 52.55 52.58 2kcm s ASP 50 Cb -0.00 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.78 2kcm s ASP 50 CO -0.05 -0.23 1.22 -2.65 0.21 0.00 0.00 175.17 173.67 2kcm n PRO 51 N -1.28 1.38 -3.27 8.23 -0.02 -1.26 -2.85 135.00 135.93 2kcm n PRO 51 Ca -0.04 0.52 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 2kcm n PRO 51 Cb 0.59 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.35 -0.45 0.19 3.45 2.01 -1.16 -4.64 115.64 113.69 2kcm s THR 52 Ca 0.74 -1.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.40 2kcm s THR 52 Cb -0.42 -0.54 -0.14 0.00 0.01 0.00 0.00 72.50 71.41 2kcm s THR 52 CO 0.48 -0.49 1.53 -2.65 -0.69 0.00 0.00 174.62 172.79 2kcm n PRO 53 N 3.97 2.12 -3.78 4.92 -0.02 -1.26 -3.27 135.00 137.67 2kcm n PRO 53 Ca 0.14 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2kcm n PRO 53 Cb 0.48 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 2kcm n PRO 53 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kcm s THR 54 N 0.60 0.08 -0.33 3.45 -4.23 -1.26 -4.96 115.64 108.99 2kcm s THR 54 Ca 0.75 -0.65 0.26 0.00 -1.18 0.00 0.00 61.69 60.87 2kcm s THR 54 Cb -0.67 -0.77 0.27 0.00 1.34 0.00 0.00 72.50 72.68 2kcm s THR 54 CO 0.42 -0.36 1.77 1.55 -0.54 0.00 0.00 174.62 177.46 2kcm h PRO 55 N 3.59 0.00 -0.00 3.99 0.13 -1.97 -2.34 132.00 135.40 2kcm h PRO 55 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kcm h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kcm h PRO 55 CO 0.44 0.00 -0.04 1.63 -0.23 0.00 0.00 178.00 179.80 2kcm n LYS 56 N -2.40 0.93 0.00 0.86 5.02 -1.26 -4.97 118.16 116.34 2kcm n LYS 56 Ca 0.01 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2kcm n LYS 56 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kcm n GLY 57 N 1.16 2.11 3.20 0.72 0.00 -0.88 -5.03 105.19 106.47 2kcm n GLY 57 Ca 0.19 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 2.39 0.06 0.99 1.43 -1.26 -4.26 118.68 118.02 2kcm s LEU 58 Ca 0.00 -0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 52.11 2kcm s LEU 58 Cb 0.00 -0.42 0.04 0.00 0.03 0.00 0.00 46.19 45.85 2kcm s LEU 58 CO 0.00 -0.20 0.47 0.00 0.23 0.00 0.00 176.35 176.85 2kcm s ALA 59 N -2.19 -1.16 -0.12 4.21 0.00 -1.20 -3.37 121.76 117.92 2kcm s ALA 59 Ca 0.06 0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2kcm s ALA 59 Cb -0.04 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2kcm s ALA 59 CO 0.01 -0.51 -0.17 0.00 0.00 0.00 0.00 175.76 175.10 2kcm s ALA 60 N -2.62 2.47 0.25 0.00 0.00 -1.15 -2.99 121.76 117.72 2kcm s ALA 60 Ca -0.04 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.10 2kcm s ALA 60 Cb -0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 2kcm s ALA 60 CO -0.03 0.26 -0.16 -1.59 0.00 0.00 0.00 175.76 174.24 2kcm s LYS 61 N 0.35 1.50 -1.32 0.00 0.00 -1.13 -4.72 119.74 114.43 2kcm s LYS 61 Ca -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 55.97 54.13 2kcm s LYS 61 Cb -0.17 -1.41 0.01 0.00 0.00 0.00 0.00 37.83 36.27 2kcm s LYS 61 CO 0.07 0.23 0.81 0.00 0.00 0.00 0.00 175.35 176.46 2kcm n ALA 62 N -0.51 -1.90 -2.21 0.59 0.00 -1.22 -1.87 120.51 113.40 2kcm n ALA 62 Ca -0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2kcm n ALA 62 Cb 0.61 -2.48 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 -3.56 3.66 0.07 0.00 1.01 -1.26 -4.38 121.20 116.74 2kcm s ILE 63 Ca 0.10 1.27 0.02 0.00 0.00 0.00 0.00 60.65 62.05 2kcm s ILE 63 Cb -0.05 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 2kcm s ILE 63 CO 0.80 0.14 -0.07 -0.55 0.00 0.00 0.00 174.94 175.26 2kcm s SER 64 N 0.69 0.98 -0.48 3.58 0.15 0.26 -4.77 113.70 114.11 2kcm s SER 64 Ca 0.58 -0.76 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 2kcm s SER 64 Cb -0.33 0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.17 2kcm s SER 64 CO 0.33 -0.33 0.32 -1.48 1.20 0.00 0.00 173.24 173.28 2kcm s LEU 65 N -2.26 5.48 0.00 3.45 2.34 -1.26 -2.58 118.68 123.86 2kcm s LEU 65 Ca 0.00 -2.13 0.32 0.00 0.06 0.00 0.00 54.13 52.38 2kcm s LEU 65 Cb -0.03 -1.92 1.86 0.00 -0.56 0.00 0.00 46.19 45.54 2kcm s LEU 65 CO -0.02 -0.58 2.21 -0.81 -1.06 0.00 0.00 176.35 176.09 2kcm n PRO 66 N 4.53 0.94 -3.07 1.48 -0.04 -1.26 -4.77 135.00 132.82 2kcm n PRO 66 Ca -0.02 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 2kcm n PRO 66 Cb 0.41 -1.50 -0.05 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 -2.06 4.14 0.00 1.53 1.43 -1.26 -5.05 118.68 117.41 2kcm s LEU 67 Ca 0.46 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2kcm s LEU 67 Cb 0.22 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2kcm s LEU 67 CO 0.38 -0.31 0.00 -1.84 0.23 0.00 0.00 176.35 174.81 2kcm n GLU 68 N 5.16 3.06 -2.48 1.70 0.28 -1.26 -5.06 120.64 122.03 2kcm n GLU 68 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2kcm n GLU 68 Cb 0.49 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.33 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kcm s HIS 69 N 1.61 3.52 0.17 -1.84 3.76 -1.26 -4.93 115.29 116.32 2kcm s HIS 69 Ca 0.00 1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 56.27 2kcm s HIS 69 Cb 0.00 -3.34 0.05 0.00 1.11 0.00 0.00 32.58 30.41 2kcm s HIS 69 CO 0.00 -0.89 1.62 1.25 -0.85 0.00 0.00 174.74 175.87 2kcm h HIS 70 N 6.04 1.14 -0.96 1.40 2.76 -2.02 -2.95 115.15 120.57 2kcm h HIS 70 Ca -0.43 -0.21 0.03 0.00 -2.20 0.00 0.00 60.37 57.56 2kcm h HIS 70 Cb 1.21 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.83 2kcm h HIS 70 CO 0.65 1.02 0.63 0.45 -1.30 0.00 0.00 177.93 179.38 2kcm h HIS 71 N 0.93 1.18 0.00 5.26 3.86 -2.07 -3.43 115.15 120.88 2kcm h HIS 71 Ca 0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2kcm h HIS 71 Cb 0.59 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2kcm h HIS 71 CO 0.04 0.70 0.00 1.58 0.86 0.00 0.00 177.93 181.11 2kcm n HIS 72 N -4.46 0.00 -2.41 2.45 -0.00 -1.12 -4.36 115.22 105.32 2kcm n HIS 72 Ca 0.12 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.88 2kcm n HIS 72 Cb 0.07 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.91 2kcm n HIS 72 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcm s HIS 73 N 0.00 3.44 0.00 1.57 2.46 -1.26 -5.11 115.29 116.38 2kcm s HIS 73 Ca 0.00 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.84 2kcm s HIS 73 Cb 0.00 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 29.02 2kcm s HIS 73 CO 0.00 -1.29 0.00 -2.39 -2.47 0.00 0.00 174.74 168.59