#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 2.78 0.00 2.12 2.47 -1.26 -3.64 119.74 122.20 2kcm s LYS 2 Ca 0.00 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.61 2kcm s LYS 2 Cb 0.00 -2.33 0.00 0.00 -1.46 0.00 0.00 37.83 34.04 2kcm s LYS 2 CO 0.00 0.38 0.00 0.41 0.16 0.00 0.00 175.35 176.30 2kcm n GLY 3 N 2.98 2.88 3.11 5.54 0.00 -1.26 -2.63 105.19 115.82 2kcm n GLY 3 Ca -0.18 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 3.33 0.80 -0.34 1.61 1.02 -1.03 -3.31 119.74 121.82 2kcm s LYS 4 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2kcm s LYS 4 Cb 0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 2kcm s LYS 4 CO 0.00 0.18 1.33 0.54 -0.92 0.00 0.00 175.35 176.48 2kcm s VAL 5 N -0.92 4.07 0.10 3.17 0.11 -1.08 -1.34 120.40 124.51 2kcm s VAL 5 Ca -0.01 1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 60.19 2kcm s VAL 5 Cb -0.08 -4.18 -0.24 0.00 -1.53 0.00 0.00 36.38 30.34 2kcm s VAL 5 CO 0.01 -0.58 1.21 1.62 -3.33 0.00 0.00 175.10 174.04 2kcm h VAL 6 N 6.12 1.50 -3.04 2.04 3.04 -1.86 -3.22 116.25 120.84 2kcm h VAL 6 Ca -0.26 -2.94 -0.13 0.00 -1.01 0.00 0.00 66.70 62.36 2kcm h VAL 6 Cb 1.10 2.79 -0.22 0.00 -2.01 0.00 0.00 31.29 32.95 2kcm h VAL 6 CO 1.05 0.86 -0.32 -0.55 -1.01 0.00 0.00 177.57 177.60 2kcm s SER 7 N -7.07 -0.23 -0.29 3.17 0.15 -1.00 -4.88 113.70 103.55 2kcm s SER 7 Ca -0.04 0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2kcm s SER 7 Cb 0.08 0.44 0.20 0.00 -1.71 0.00 0.00 66.02 65.02 2kcm s SER 7 CO 0.87 -0.31 0.68 -0.47 1.20 0.00 0.00 173.24 175.20 2kcm s TYR 8 N -0.76 -1.57 -0.25 3.44 5.04 -1.26 -1.74 117.35 120.25 2kcm s TYR 8 Ca -0.08 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.59 2kcm s TYR 8 Cb -0.04 0.32 0.03 0.00 0.35 0.00 0.00 41.96 42.62 2kcm s TYR 8 CO 0.03 -0.90 -0.06 -0.51 -1.34 0.00 0.00 175.55 172.76 2kcm s LEU 9 N 2.86 3.29 0.58 6.97 1.43 -1.11 -4.97 118.68 127.72 2kcm s LEU 9 Ca 0.14 -0.97 0.35 0.00 -1.03 0.00 0.00 54.13 52.62 2kcm s LEU 9 Cb -0.10 -1.66 1.69 0.00 0.03 0.00 0.00 46.19 46.16 2kcm s LEU 9 CO -0.24 -0.15 2.12 0.00 0.23 0.00 0.00 176.35 178.31 2kcm h ALA 10 N 7.99 1.06 -0.20 4.21 0.00 -1.95 -2.49 119.26 127.88 2kcm h ALA 10 Ca -0.30 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kcm h ALA 10 Cb 1.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2kcm h ALA 10 CO 0.56 0.05 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 2kcm h ALA 11 N 1.96 -0.11 -0.10 0.00 0.00 -1.93 -1.70 119.26 117.39 2kcm h ALA 11 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kcm h ALA 11 Cb 0.33 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kcm h ALA 11 CO 0.00 -0.64 0.00 0.36 0.00 0.00 0.00 179.25 178.97 2kcm n LYS 12 N -5.35 2.18 -3.54 0.00 2.85 -1.18 -4.94 118.16 108.18 2kcm n LYS 12 Ca -0.02 -1.73 -0.25 0.00 -1.05 0.00 0.00 58.31 55.26 2kcm n LYS 12 Cb 0.27 -1.47 0.05 0.00 -0.65 0.00 0.00 35.03 33.23 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kcm n LYS 13 N 1.06 -6.47 -3.78 -1.58 5.02 -0.64 -4.98 118.16 106.78 2kcm n LYS 13 Ca 0.16 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 57.13 2kcm n LYS 13 Cb 0.53 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.75 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 -3.26 0.02 0.00 2.13 2.02 -1.16 -4.26 117.35 112.85 2kcm s TYR 14 Ca 0.54 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2kcm s TYR 14 Cb -0.25 0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.36 2kcm s TYR 14 CO 0.66 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 2kcm n GLY 15 N -0.04 1.14 3.08 0.71 0.00 -1.25 -2.76 105.19 106.08 2kcm n GLY 15 Ca -0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.83 0.55 -0.04 1.61 0.08 -0.71 -4.05 117.98 110.59 2kcm s PHE 16 Ca 0.00 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.17 2kcm s PHE 16 Cb 0.00 -0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2kcm s PHE 16 CO 0.00 -0.29 -0.12 0.42 -0.10 0.00 0.00 175.22 175.14 2kcm s ILE 17 N -3.27 1.02 -0.63 0.64 1.01 -1.24 -2.37 121.20 116.36 2kcm s ILE 17 Ca 0.03 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 2kcm s ILE 17 Cb 0.03 -0.90 0.11 0.00 0.01 0.00 0.00 42.46 41.71 2kcm s ILE 17 CO -0.07 0.31 0.75 -1.58 0.00 0.00 0.00 174.94 174.35 2kcm s GLN 18 N 0.20 3.10 1.11 2.79 0.74 -0.45 -3.13 119.66 124.02 2kcm s GLN 18 Ca -0.05 -1.35 -0.13 0.00 0.05 0.00 0.00 55.36 53.88 2kcm s GLN 18 Cb -0.10 -4.31 0.25 0.00 1.10 0.00 0.00 33.01 29.95 2kcm s GLN 18 CO 0.01 -1.57 1.06 0.20 -0.55 0.00 0.00 175.29 174.44 2kcm s GLY 19 N 3.58 1.55 0.30 2.59 0.00 -1.13 -2.47 107.32 111.74 2kcm s GLY 19 Ca 0.14 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2kcm s GLY 19 CO 0.05 0.35 1.82 -0.55 0.00 0.00 0.00 173.10 174.77 2kcm h ASP 20 N -2.33 0.59 -0.02 1.64 3.32 -1.85 -0.65 116.42 117.12 2kcm h ASP 20 Ca -0.57 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.35 2kcm h ASP 20 Cb 1.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2kcm h ASP 20 CO 0.53 0.67 0.00 0.47 -1.72 0.00 0.00 179.24 179.19 2kcm n ASP 21 N -4.25 0.45 0.00 6.45 8.00 -1.26 -4.85 116.55 121.09 2kcm n ASP 21 Ca 0.02 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2kcm n ASP 21 Cb 0.27 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.01 0.44 3.57 0.44 0.00 -0.25 -5.01 105.19 105.39 2kcm n GLY 22 Ca 0.20 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.67 3.68 0.44 1.61 2.02 -1.26 -4.75 118.70 117.77 2kcm s GLU 23 Ca 0.00 0.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.92 2kcm s GLU 23 Cb 0.00 -3.82 -0.09 0.00 0.10 0.00 0.00 34.13 30.32 2kcm s GLU 23 CO 0.00 -0.82 1.06 0.45 0.02 0.00 0.00 175.26 175.97 2kcm s SER 24 N 1.84 6.52 0.05 -0.19 0.15 -1.26 -2.83 113.70 117.97 2kcm s SER 24 Ca 0.28 2.03 0.08 0.00 0.70 0.00 0.00 55.95 59.04 2kcm s SER 24 Cb -0.14 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.57 2kcm s SER 24 CO 0.16 -0.66 -0.24 -0.31 1.20 0.00 0.00 173.24 173.40 2kcm s TYR 25 N -1.77 2.06 0.18 3.44 1.51 -1.18 -4.65 117.35 116.94 2kcm s TYR 25 Ca 0.62 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 56.16 2kcm s TYR 25 Cb -0.21 -1.23 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 2kcm s TYR 25 CO 0.25 0.11 1.82 0.35 -1.11 0.00 0.00 175.55 176.97 2kcm h PHE 26 N 4.82 0.80 -3.98 2.71 3.57 -1.77 -3.29 116.94 119.79 2kcm h PHE 26 Ca -0.45 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2kcm h PHE 26 Cb 1.15 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2kcm h PHE 26 CO 0.49 0.55 -0.69 -0.11 -2.23 0.00 0.00 178.31 176.32 2kcm n LEU 27 N -4.61 -4.30 -4.20 0.59 0.00 -1.26 -3.84 117.00 99.39 2kcm n LEU 27 Ca 0.04 0.99 -0.34 0.00 0.00 0.00 0.00 56.01 56.71 2kcm n LEU 27 Cb 0.06 -2.12 -0.15 0.00 0.00 0.00 0.00 43.42 41.20 2kcm n LEU 27 CO 0.36 -1.84 -0.46 -2.28 0.00 0.00 0.00 177.39 173.17 2kcm s HIS 28 N -0.47 2.90 0.65 1.96 2.46 -1.26 -3.91 115.29 117.61 2kcm s HIS 28 Ca -0.10 -1.40 0.36 0.00 0.47 0.00 0.00 55.06 54.39 2kcm s HIS 28 Cb 0.01 -2.01 1.99 0.00 -0.13 0.00 0.00 32.58 32.44 2kcm s HIS 28 CO 0.39 -0.71 2.16 0.27 -2.47 0.00 0.00 174.74 174.38 2kcm h PHE 29 N 8.01 0.00 0.00 3.88 -0.00 -1.96 0.17 116.94 127.04 2kcm h PHE 29 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.55 2kcm h PHE 29 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.09 2kcm h PHE 29 CO 0.53 0.00 0.00 0.66 -0.00 0.00 0.00 178.31 179.50 2kcm h SER 30 N 0.00 0.00 -0.13 -0.68 4.64 -1.93 -1.30 113.55 114.16 2kcm h SER 30 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2kcm h SER 30 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2kcm h SER 30 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2kcm n GLU 31 N -2.97 1.62 -2.62 4.77 -0.58 0.60 -4.87 120.64 116.59 2kcm n GLU 31 Ca -0.00 -0.92 -0.41 0.00 -0.42 0.00 0.00 57.16 55.40 2kcm n GLU 31 Cb 0.22 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcm s LEU 32 N -1.62 4.46 0.18 -4.62 1.43 -0.49 -3.55 118.68 114.47 2kcm s LEU 32 Ca 0.32 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 2kcm s LEU 32 Cb 0.17 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.89 2kcm s LEU 32 CO 0.26 -0.20 1.74 -0.07 0.23 0.00 0.00 176.35 178.32 2kcm h LEU 33 N 5.78 0.83 -8.02 1.79 3.38 -1.89 -3.40 115.31 113.78 2kcm h LEU 33 Ca -0.43 -0.16 -0.65 0.00 0.09 0.00 0.00 57.88 56.74 2kcm h LEU 33 Cb 1.21 -0.21 -0.35 0.00 0.09 0.00 0.00 40.66 41.40 2kcm h LEU 33 CO 0.74 0.75 -0.85 -1.81 0.09 0.00 0.00 178.44 177.36 2kcm s ASP 34 N -6.08 2.99 0.31 -0.43 1.01 -1.26 -5.00 116.67 108.22 2kcm s ASP 34 Ca -0.13 -0.60 0.01 0.00 0.71 0.00 0.00 52.55 52.54 2kcm s ASP 34 Cb 0.13 -1.39 0.49 0.00 1.01 0.00 0.00 42.92 43.16 2kcm s ASP 34 CO 0.79 -0.01 1.87 0.11 0.21 0.00 0.00 175.17 178.14 2kcm h LYS 35 N 7.92 0.75 -0.82 8.23 1.79 -1.93 -2.35 116.57 130.17 2kcm h LYS 35 Ca -0.43 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 57.89 2kcm h LYS 35 Cb 1.14 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 2kcm h LYS 35 CO 0.60 0.66 0.43 0.87 -1.08 0.00 0.00 179.45 180.94 2kcm h LYS 36 N 0.74 1.16 0.00 3.15 1.57 -1.97 -0.61 116.57 120.60 2kcm h LYS 36 Ca 0.17 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kcm h LYS 36 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2kcm h LYS 36 CO -0.01 0.86 0.00 -0.25 -0.57 0.00 0.00 179.45 179.48 2kcm n ASP 37 N -4.33 0.00 -0.18 0.86 8.00 -0.89 -2.72 116.55 117.29 2kcm n ASP 37 Ca 0.08 0.18 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 2kcm n ASP 37 Cb 0.11 -0.33 0.21 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.92 -0.00 -1.24 4.81 -1.07 -0.31 114.58 117.70 2kcm h GLU 38 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2kcm h GLU 38 Cb 0.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2kcm h GLU 38 CO 0.00 0.71 -0.08 0.41 -0.73 0.00 0.00 179.01 179.32 2kcm n GLY 39 N -1.13 -1.19 0.40 1.92 0.00 -1.10 -3.06 105.19 101.03 2kcm n GLY 39 Ca 0.06 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.21 1.24 -0.57 1.61 3.00 -0.14 -4.94 118.16 117.14 2kcm n LYS 40 Ca 0.12 -0.79 -0.28 0.00 -0.00 0.00 0.00 58.31 57.36 2kcm n LYS 40 Cb 0.28 -1.48 0.25 0.00 0.00 0.00 0.00 35.03 34.07 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kcm s LEU 41 N -2.31 0.87 0.02 3.14 1.43 -1.11 -5.03 118.68 115.69 2kcm s LEU 41 Ca 0.28 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 2kcm s LEU 41 Cb 0.20 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2kcm s LEU 41 CO 0.45 -4.17 -0.17 0.54 0.23 0.00 0.00 176.35 173.23 2kcm s VAL 42 N -2.49 1.37 -0.15 -1.59 0.11 -1.26 -5.12 120.40 111.27 2kcm s VAL 42 Ca 0.68 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.74 2kcm s VAL 42 Cb -0.25 -1.18 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 2kcm s VAL 42 CO 0.64 0.20 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.81 2kcm s LYS 43 N -0.89 3.62 0.00 1.54 2.20 -1.26 -4.45 119.74 120.50 2kcm s LYS 43 Ca 0.05 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2kcm s LYS 43 Cb -0.08 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2kcm s LYS 43 CO 0.01 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 2kcm n GLY 44 N 3.52 2.28 2.03 5.54 0.00 -1.22 -5.03 105.19 112.31 2kcm n GLY 44 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.96 -4.81 1.61 2.88 -1.26 -4.79 113.62 108.21 2kcm n SER 45 Ca 0.00 -1.73 -0.34 0.00 -1.33 0.00 0.00 58.87 55.47 2kcm n SER 45 Cb 0.00 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.13 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 -3.52 4.33 0.03 -1.46 -1.94 -1.26 -2.63 119.30 112.86 2kcm s MET 46 Ca 0.33 1.18 0.01 0.00 -1.71 0.00 0.00 55.69 55.49 2kcm s MET 46 Cb -0.02 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 2kcm s MET 46 CO 0.21 0.06 -0.05 0.14 -0.01 0.00 0.00 175.02 175.38 2kcm s VAL 47 N -2.01 0.26 -0.23 -6.03 -7.23 -1.21 -4.68 120.40 99.27 2kcm s VAL 47 Ca 0.58 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 2kcm s VAL 47 Cb -0.12 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.26 2kcm s VAL 47 CO 0.16 -0.52 0.16 -2.28 -0.31 0.00 0.00 175.10 172.32 2kcm s HIS 48 N -1.70 3.33 0.00 2.82 5.65 -1.05 -4.15 115.29 120.19 2kcm s HIS 48 Ca -0.12 0.25 -0.03 0.00 0.25 0.00 0.00 55.06 55.42 2kcm s HIS 48 Cb -0.08 -2.27 -0.01 0.00 -1.18 0.00 0.00 32.58 29.05 2kcm s HIS 48 CO -0.01 0.09 0.04 -0.59 -0.65 0.00 0.00 174.74 173.62 2kcm s PHE 49 N 0.99 0.12 0.13 3.88 -0.12 -1.24 -2.39 117.98 119.35 2kcm s PHE 49 Ca 0.08 -0.25 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 2kcm s PHE 49 Cb -0.13 -0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2kcm s PHE 49 CO 0.04 -0.19 0.02 -0.51 -0.05 0.00 0.00 175.22 174.53 2kcm s ASP 50 N -1.10 5.01 0.34 1.98 1.11 -1.18 -4.56 116.67 118.26 2kcm s ASP 50 Ca -0.12 -0.25 -0.29 0.00 0.18 0.00 0.00 52.55 52.07 2kcm s ASP 50 Cb -0.07 -1.17 -0.10 0.00 1.07 0.00 0.00 42.92 42.65 2kcm s ASP 50 CO 0.00 0.13 1.37 -2.16 1.18 0.00 0.00 175.17 175.69 2kcm s PRO 51 N -2.67 4.28 -0.41 8.23 0.04 -1.26 -2.82 135.00 140.39 2kcm s PRO 51 Ca 0.27 2.33 0.06 0.00 0.04 0.00 0.00 61.00 63.70 2kcm s PRO 51 Cb -0.11 -3.04 0.17 0.00 0.04 0.00 0.00 34.50 31.56 2kcm s PRO 51 CO 0.19 -0.31 0.52 0.99 0.04 0.00 0.00 177.00 178.43 2kcm s THR 52 N -1.02 -0.66 0.31 1.26 2.01 -1.06 -4.74 115.64 111.73 2kcm s THR 52 Ca 0.51 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.59 2kcm s THR 52 Cb -0.42 -0.33 -0.13 0.00 0.01 0.00 0.00 72.50 71.63 2kcm s THR 52 CO 0.55 -0.30 1.22 -2.65 -0.69 0.00 0.00 174.62 172.75 2kcm n PRO 53 N 4.11 1.86 -3.73 4.92 -0.02 -1.26 -3.04 135.00 137.84 2kcm n PRO 53 Ca 0.13 0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2kcm n PRO 53 Cb 0.52 -2.18 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.94 0.08 0.27 3.45 -4.23 -1.25 -4.90 115.64 108.13 2kcm s THR 54 Ca 0.58 -0.68 0.36 0.00 -1.18 0.00 0.00 61.69 60.77 2kcm s THR 54 Cb -0.62 -1.04 0.37 0.00 1.34 0.00 0.00 72.50 72.55 2kcm s THR 54 CO 0.60 -0.38 2.09 1.55 -0.54 0.00 0.00 174.62 177.95 2kcm h PRO 55 N 2.95 0.00 -0.01 3.99 0.13 -1.97 -0.98 132.00 136.10 2kcm h PRO 55 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kcm h PRO 55 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kcm h PRO 55 CO 0.47 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.87 2kcm n LYS 56 N -2.85 1.13 0.00 0.86 5.02 -1.26 -4.96 118.16 116.11 2kcm n LYS 56 Ca -0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2kcm n LYS 56 Cb 0.13 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.96 1.86 3.18 0.72 0.00 -0.37 -5.00 105.19 106.54 2kcm n GLY 57 Ca 0.19 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 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 2.20 0.03 0.99 1.43 -1.26 -3.88 118.68 118.19 2kcm s LEU 58 Ca 0.00 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 2kcm s LEU 58 Cb 0.00 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.55 2kcm s LEU 58 CO 0.00 0.04 0.26 0.00 0.23 0.00 0.00 176.35 176.87 2kcm s ALA 59 N -0.95 -0.56 0.03 4.21 0.00 -1.17 -2.72 121.76 120.60 2kcm s ALA 59 Ca 0.02 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.98 2kcm s ALA 59 Cb -0.09 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2kcm s ALA 59 CO 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 175.76 175.25 2kcm s ALA 60 N -2.33 2.67 0.03 0.00 0.00 -1.26 -2.56 121.76 118.29 2kcm s ALA 60 Ca -0.07 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2kcm s ALA 60 Cb -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 2kcm s ALA 60 CO -0.02 0.58 -0.16 0.21 0.00 0.00 0.00 175.76 176.37 2kcm s LYS 61 N -1.41 1.10 -0.72 0.00 2.20 -1.13 -4.75 119.74 115.03 2kcm s LYS 61 Ca 0.15 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2kcm s LYS 61 Cb -0.11 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.10 2kcm s LYS 61 CO 0.06 0.29 0.68 0.00 -0.36 0.00 0.00 175.35 176.01 2kcm n ALA 62 N 2.11 -2.58 -2.72 3.13 0.00 -1.23 -3.12 120.51 116.10 2kcm n ALA 62 Ca -0.17 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2kcm n ALA 62 Cb 0.54 -1.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.94 5.28 0.12 0.00 1.01 -1.26 -4.35 121.20 119.05 2kcm s ILE 63 Ca 0.03 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.34 2kcm s ILE 63 Cb -0.01 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2kcm s ILE 63 CO 0.77 0.36 -0.12 -0.44 0.00 0.00 0.00 174.94 175.52 2kcm s SER 64 N 0.57 1.76 -0.39 3.58 0.01 -1.01 -4.62 113.70 113.60 2kcm s SER 64 Ca 0.18 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.43 2kcm s SER 64 Cb -0.13 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.07 2kcm s SER 64 CO 0.05 -0.21 0.49 -1.48 0.41 0.00 0.00 173.24 172.50 2kcm s LEU 65 N -2.53 4.56 0.00 2.44 2.34 -1.26 -2.53 118.68 121.70 2kcm s LEU 65 Ca 0.08 -0.33 0.25 0.00 0.06 0.00 0.00 54.13 54.19 2kcm s LEU 65 Cb -0.03 -2.51 1.49 0.00 -0.56 0.00 0.00 46.19 44.58 2kcm s LEU 65 CO 0.02 -0.55 1.94 -0.81 -1.06 0.00 0.00 176.35 175.89 2kcm n PRO 66 N 5.74 0.97 -2.48 1.48 -0.04 -1.26 -4.85 135.00 134.56 2kcm n PRO 66 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 2kcm n PRO 66 Cb 0.48 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.80 4.51 0.40 1.53 1.02 -1.26 -4.83 118.68 118.25 2kcm s LEU 67 Ca 0.37 2.18 0.00 0.00 0.02 0.00 0.00 54.13 56.70 2kcm s LEU 67 Cb 0.17 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.77 2kcm s LEU 67 CO 0.29 -0.21 0.00 -0.62 0.02 0.00 0.00 176.35 175.83 2kcm n GLU 68 N 1.94 -2.39 -3.68 1.70 1.02 -1.26 -5.02 120.64 112.95 2kcm n GLU 68 Ca 0.01 1.85 -0.10 0.00 -0.02 0.00 0.00 57.16 58.90 2kcm n GLU 68 Cb 0.45 -2.96 -0.05 0.00 -0.02 0.00 0.00 31.44 28.86 2kcm n GLU 68 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kcm s HIS 69 N -3.67 -0.14 -0.24 -0.32 -3.43 -1.26 -5.12 115.29 101.11 2kcm s HIS 69 Ca 0.00 -0.19 -0.06 0.00 -0.80 0.00 0.00 55.06 54.01 2kcm s HIS 69 Cb 0.00 0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 31.33 2kcm s HIS 69 CO 0.00 -0.67 0.03 -1.01 -2.00 0.00 0.00 174.74 171.09 2kcm s HIS 70 N -3.77 3.04 -0.06 0.38 3.76 -1.26 -5.09 115.29 112.30 2kcm s HIS 70 Ca 0.03 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.19 2kcm s HIS 70 Cb 0.02 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.47 2kcm s HIS 70 CO -0.12 -0.44 0.29 -1.58 -0.85 0.00 0.00 174.74 172.05 2kcm s HIS 71 N 1.56 3.67 0.24 1.40 2.46 -1.26 -4.99 115.29 118.37 2kcm s HIS 71 Ca 0.06 0.78 -0.06 0.00 0.47 0.00 0.00 55.06 56.31 2kcm s HIS 71 Cb -0.15 -2.14 0.26 0.00 -0.13 0.00 0.00 32.58 30.42 2kcm s HIS 71 CO 0.01 0.67 1.91 0.45 -2.47 0.00 0.00 174.74 175.32 2kcm h HIS 72 N 4.88 1.20 -3.37 3.88 3.86 -2.10 -3.39 115.15 120.11 2kcm h HIS 72 Ca -0.53 0.03 -0.64 0.00 -1.16 0.00 0.00 60.37 58.08 2kcm h HIS 72 Cb 1.22 -0.40 -0.21 0.00 1.06 0.00 0.00 27.41 29.08 2kcm h HIS 72 CO 0.73 0.74 -0.64 -1.01 0.86 0.00 0.00 177.93 178.61 2kcm s HIS 73 N -6.11 3.08 -2.00 2.45 3.76 -1.26 -5.37 115.29 109.83 2kcm s HIS 73 Ca -0.13 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.55 2kcm s HIS 73 Cb 0.18 -2.04 0.32 0.00 1.11 0.00 0.00 32.58 32.15 2kcm s HIS 73 CO 0.81 -0.09 0.79 1.58 -0.85 0.00 0.00 174.74 176.99