#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 -1.18 3.17 2.85 -1.26 -4.72 118.16 117.01 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 1.24 3.18 2.58 0.00 -1.24 -1.88 105.19 109.07 2kcm n GLY 3 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.27 1.23 -0.45 1.61 1.02 -0.89 -2.03 119.74 118.96 2kcm s LYS 4 Ca 0.00 -0.75 -0.28 0.00 0.02 0.00 0.00 55.97 54.96 2kcm s LYS 4 Cb 0.00 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 2kcm s LYS 4 CO 0.00 0.33 1.46 0.54 -0.92 0.00 0.00 175.35 176.76 2kcm s VAL 5 N -0.65 3.82 0.16 3.17 0.11 -0.90 -1.37 120.40 124.73 2kcm s VAL 5 Ca 0.05 0.79 -0.09 0.00 -2.93 0.00 0.00 61.98 59.81 2kcm s VAL 5 Cb -0.08 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.54 2kcm s VAL 5 CO 0.01 -0.84 1.51 1.62 -3.33 0.00 0.00 175.10 174.07 2kcm h VAL 6 N 6.49 1.27 -3.01 2.04 3.04 -1.86 -0.71 116.25 123.51 2kcm h VAL 6 Ca -0.28 -1.52 0.03 0.00 -1.01 0.00 0.00 66.70 63.92 2kcm h VAL 6 Cb 1.11 1.35 -0.08 0.00 -2.01 0.00 0.00 31.29 31.65 2kcm h VAL 6 CO 1.11 0.51 0.21 -0.94 -1.01 0.00 0.00 177.57 177.45 2kcm s SER 7 N -6.82 -0.40 -0.27 3.17 1.04 -1.11 -4.65 113.70 104.65 2kcm s SER 7 Ca -0.10 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 2kcm s SER 7 Cb 0.12 0.66 0.15 0.00 0.10 0.00 0.00 66.02 67.05 2kcm s SER 7 CO 0.87 -1.16 0.53 -0.47 0.98 0.00 0.00 173.24 173.99 2kcm s TYR 8 N -3.84 -1.23 -0.29 5.02 5.04 -1.26 -1.41 117.35 119.38 2kcm s TYR 8 Ca 0.06 1.64 -0.02 0.00 -2.44 0.00 0.00 57.07 56.31 2kcm s TYR 8 Cb -0.04 0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.78 2kcm s TYR 8 CO -0.03 -0.72 -0.00 -0.51 -1.34 0.00 0.00 175.55 172.95 2kcm s LEU 9 N 2.76 3.76 0.30 6.97 1.02 -1.26 -4.97 118.68 127.26 2kcm s LEU 9 Ca 0.09 -1.14 0.03 0.00 0.02 0.00 0.00 54.13 53.13 2kcm s LEU 9 Cb -0.14 -1.72 0.48 0.00 0.02 0.00 0.00 46.19 44.83 2kcm s LEU 9 CO -0.18 -0.23 1.77 0.00 0.02 0.00 0.00 176.35 177.74 2kcm h ALA 10 N 8.03 1.20 -0.48 4.21 0.00 -1.94 -1.51 119.26 128.76 2kcm h ALA 10 Ca -0.24 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.38 2kcm h ALA 10 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kcm h ALA 10 CO 0.55 0.52 0.32 0.00 0.00 0.00 0.00 179.25 180.63 2kcm h ALA 11 N 1.38 1.67 -0.01 0.00 0.00 -1.95 0.70 119.26 121.05 2kcm h ALA 11 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kcm h ALA 11 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kcm h ALA 11 CO 0.04 0.30 -0.28 1.63 0.00 0.00 0.00 179.25 180.93 2kcm n LYS 12 N -4.47 1.02 -0.60 0.00 5.02 -0.98 -4.89 118.16 113.27 2kcm n LYS 12 Ca 0.04 -0.67 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 2kcm n LYS 12 Cb 0.06 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.40 -1.36 -3.99 1.97 5.02 0.24 -4.85 118.16 114.78 2kcm n LYS 13 Ca 0.12 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.42 2kcm n LYS 13 Cb 0.38 -4.02 -0.17 0.00 -0.02 0.00 0.00 35.03 31.20 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 -0.71 0.99 0.00 2.13 2.02 -1.21 -4.29 117.35 116.28 2kcm s TYR 14 Ca 0.00 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 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 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.05 2kcm n GLY 15 N 4.67 3.29 2.98 0.71 0.00 -1.20 -4.00 105.19 111.63 2kcm n GLY 15 Ca -0.15 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.67 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 1.01 0.06 -0.02 1.61 0.08 -0.50 -3.55 117.98 116.67 2kcm s PHE 16 Ca 0.00 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2kcm s PHE 16 Cb 0.00 -0.06 -0.00 0.00 -0.57 0.00 0.00 43.02 42.39 2kcm s PHE 16 CO 0.00 -0.13 -0.10 0.42 -0.10 0.00 0.00 175.22 175.31 2kcm s ILE 17 N -0.72 0.83 -0.40 0.64 1.01 -1.11 -2.75 121.20 118.70 2kcm s ILE 17 Ca -0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2kcm s ILE 17 Cb -0.05 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.71 2kcm s ILE 17 CO 0.00 0.25 0.28 -1.58 0.00 0.00 0.00 174.94 173.89 2kcm s GLN 18 N 0.07 3.03 0.68 2.79 0.74 -0.47 -2.11 119.66 124.39 2kcm s GLN 18 Ca -0.01 -0.97 -0.15 0.00 0.05 0.00 0.00 55.36 54.28 2kcm s GLN 18 Cb -0.08 -3.93 0.01 0.00 1.10 0.00 0.00 33.01 30.12 2kcm s GLN 18 CO 0.00 -0.70 1.12 0.20 -0.55 0.00 0.00 175.29 175.36 2kcm s GLY 19 N 1.67 2.13 0.35 2.59 0.00 -0.64 -2.10 107.32 111.31 2kcm s GLY 19 Ca 0.05 0.56 0.08 0.00 0.00 0.00 0.00 44.72 45.41 2kcm s GLY 19 CO 0.10 0.92 1.83 1.29 0.00 0.00 0.00 173.10 177.24 2kcm h ASP 20 N -0.13 0.28 -0.24 1.64 2.03 -1.67 -1.27 116.42 117.06 2kcm h ASP 20 Ca -0.47 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 2kcm h ASP 20 Cb 1.25 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2kcm h ASP 20 CO 0.53 0.50 0.00 0.47 -1.03 0.00 0.00 179.24 179.71 2kcm n ASP 21 N -4.19 1.38 0.00 4.15 8.00 -1.26 -4.83 116.55 119.80 2kcm n ASP 21 Ca -0.01 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.47 2kcm n ASP 21 Cb 0.34 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.84 0.53 3.49 0.44 0.00 -0.48 -5.01 105.19 105.00 2kcm n GLY 22 Ca 0.08 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.99 3.16 0.34 1.61 2.02 -1.25 -4.77 118.70 118.82 2kcm s GLU 23 Ca 0.00 -0.63 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 2kcm s GLU 23 Cb 0.00 -3.98 -0.09 0.00 0.10 0.00 0.00 34.13 30.16 2kcm s GLU 23 CO 0.00 -0.95 1.10 0.45 0.02 0.00 0.00 175.26 175.87 2kcm s SER 24 N 1.97 6.99 -0.05 -0.19 0.15 -1.26 -1.63 113.70 119.69 2kcm s SER 24 Ca 0.16 2.21 0.05 0.00 0.70 0.00 0.00 55.95 59.07 2kcm s SER 24 Cb -0.16 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2kcm s SER 24 CO 0.15 -0.33 -0.18 -0.31 1.20 0.00 0.00 173.24 173.77 2kcm s TYR 25 N -1.35 1.82 0.35 3.44 2.02 -0.90 -4.77 117.35 117.95 2kcm s TYR 25 Ca 0.50 -0.53 -0.26 0.00 -0.37 0.00 0.00 57.07 56.42 2kcm s TYR 25 Cb -0.29 -1.22 -0.10 0.00 -0.40 0.00 0.00 41.96 39.96 2kcm s TYR 25 CO 0.37 -0.17 0.99 -0.06 -1.57 0.00 0.00 175.55 175.10 2kcm s PHE 26 N 0.01 3.54 -0.21 2.71 0.08 -1.25 -2.73 117.98 120.13 2kcm s PHE 26 Ca -0.04 1.73 -0.05 0.00 0.12 0.00 0.00 56.93 58.69 2kcm s PHE 26 Cb -0.12 -3.02 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 2kcm s PHE 26 CO 0.02 -0.13 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.84 2kcm s LEU 27 N -2.22 3.16 0.09 -0.37 0.20 -1.23 -3.08 118.68 115.22 2kcm s LEU 27 Ca 0.52 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 55.15 2kcm s LEU 27 Cb -0.20 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 2kcm s LEU 27 CO 0.26 0.02 -0.18 -1.00 -0.29 0.00 0.00 176.35 175.16 2kcm s HIS 28 N 1.25 1.56 0.25 5.38 3.76 -1.26 -3.28 115.29 122.96 2kcm s HIS 28 Ca 0.03 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 2kcm s HIS 28 Cb -0.15 -0.86 0.29 0.00 1.11 0.00 0.00 32.58 32.97 2kcm s HIS 28 CO 0.01 0.15 1.77 0.74 -0.85 0.00 0.00 174.74 176.55 2kcm h PHE 29 N 4.17 0.96 0.00 1.40 -1.00 -1.97 -1.66 116.94 118.84 2kcm h PHE 29 Ca -0.44 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.22 2kcm h PHE 29 Cb 1.18 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.47 2kcm h PHE 29 CO 0.62 0.82 -0.05 0.66 -1.61 0.00 0.00 178.31 178.75 2kcm h SER 30 N 0.87 0.00 0.10 2.17 4.64 -1.96 0.32 113.55 119.70 2kcm h SER 30 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2kcm h SER 30 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2kcm h SER 30 CO 0.01 0.05 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.38 2kcm n GLU 31 N -3.88 1.00 -3.31 4.77 1.02 -0.63 -4.75 120.64 114.87 2kcm n GLU 31 Ca -0.03 -0.16 -0.39 0.00 -0.02 0.00 0.00 57.16 56.56 2kcm n GLU 31 Cb 0.14 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.11 4.05 0.16 -4.62 1.43 0.10 -3.56 118.68 114.14 2kcm s LEU 32 Ca 0.43 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2kcm s LEU 32 Cb 0.21 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.93 2kcm s LEU 32 CO 0.38 -0.23 1.68 -0.07 0.23 0.00 0.00 176.35 178.34 2kcm h LEU 33 N 8.61 0.83 -7.96 1.79 -0.00 -1.86 -3.39 115.31 113.33 2kcm h LEU 33 Ca -0.31 -0.23 -0.68 0.00 -0.00 0.00 0.00 57.88 56.67 2kcm h LEU 33 Cb 1.15 -0.22 -0.35 0.00 -0.00 0.00 0.00 40.66 41.25 2kcm h LEU 33 CO 0.69 0.84 -0.74 -1.81 -0.00 0.00 0.00 178.44 177.41 2kcm s ASP 34 N -6.20 4.71 0.31 -0.43 1.01 -1.26 -4.95 116.67 109.86 2kcm s ASP 34 Ca -0.13 -1.35 0.24 0.00 0.71 0.00 0.00 52.55 52.02 2kcm s ASP 34 Cb 0.12 -1.64 1.12 0.00 1.01 0.00 0.00 42.92 43.52 2kcm s ASP 34 CO 0.80 -0.24 1.73 0.11 0.21 0.00 0.00 175.17 177.78 2kcm h LYS 35 N 7.90 0.00 -0.60 8.23 1.79 -1.94 -2.23 116.57 129.72 2kcm h LYS 35 Ca -0.20 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.19 2kcm h LYS 35 Cb 1.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2kcm h LYS 35 CO 0.50 0.00 0.06 0.87 -1.08 0.00 0.00 179.45 179.81 2kcm h LYS 36 N 0.00 0.99 0.00 3.15 1.57 -1.96 -1.66 116.57 118.66 2kcm h LYS 36 Ca 0.00 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2kcm h LYS 36 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kcm h LYS 36 CO 0.00 0.94 0.00 -0.25 -0.57 0.00 0.00 179.45 179.57 2kcm n ASP 37 N -4.21 0.12 -0.05 0.86 8.00 -0.84 -2.81 116.55 117.62 2kcm n ASP 37 Ca 0.04 0.53 0.09 0.00 0.71 0.00 0.00 54.79 56.16 2kcm n ASP 37 Cb 0.30 -0.55 0.48 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.44 0.00 -1.24 4.57 -1.39 0.23 114.58 117.18 2kcm h GLU 38 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2kcm h GLU 38 Cb 0.29 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2kcm h GLU 38 CO 0.00 0.29 -0.06 0.78 -1.18 0.00 0.00 179.01 178.84 2kcm h GLY 39 N 0.45 0.00 0.00 1.92 0.00 -1.69 -3.40 103.07 100.35 2kcm h GLY 39 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2kcm h GLY 39 CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 2kcm n LYS 40 N -3.12 0.00 -0.20 4.80 4.01 0.72 -5.04 118.16 119.32 2kcm n LYS 40 Ca 0.03 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.86 2kcm n LYS 40 Cb 0.51 -0.02 -0.01 0.00 -0.51 0.00 0.00 35.03 35.00 2kcm n LYS 40 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2kcm n LEU 41 N -0.11 0.00 -3.86 -0.35 4.77 -0.62 -4.93 117.00 111.90 2kcm n LEU 41 Ca 0.00 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 2kcm n LEU 41 Cb 0.00 -0.82 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 2kcm n LEU 41 CO 0.00 -0.55 -0.10 0.54 -1.33 0.00 0.00 177.39 175.95 2kcm s VAL 42 N -0.73 0.14 -0.13 4.08 0.11 -1.26 -5.10 120.40 117.51 2kcm s VAL 42 Ca 0.00 -1.17 0.02 0.00 -2.93 0.00 0.00 61.98 57.90 2kcm s VAL 42 Cb 0.00 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.55 2kcm s VAL 42 CO 0.00 -0.65 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.18 2kcm s LYS 43 N -3.77 2.68 0.00 1.54 2.20 -1.26 -4.69 119.74 116.43 2kcm s LYS 43 Ca 0.04 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 2kcm s LYS 43 Cb 0.05 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 2kcm s LYS 43 CO -0.11 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2kcm n GLY 44 N 4.16 2.88 3.97 5.54 0.00 -0.27 -5.01 105.19 116.46 2kcm n GLY 44 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcm s SER 45 N -2.26 3.68 0.35 1.61 0.15 -1.26 -4.60 113.70 111.36 2kcm s SER 45 Ca 0.00 -0.13 -0.25 0.00 0.70 0.00 0.00 55.95 56.27 2kcm s SER 45 Cb 0.00 -0.04 -0.10 0.00 -1.71 0.00 0.00 66.02 64.16 2kcm s SER 45 CO 0.00 -2.33 0.95 -0.04 1.20 0.00 0.00 173.24 173.01 2kcm s MET 46 N -5.51 4.50 0.14 5.44 -1.94 -1.26 -2.12 119.30 118.54 2kcm s MET 46 Ca 0.71 1.28 0.03 0.00 -1.71 0.00 0.00 55.69 56.00 2kcm s MET 46 Cb -0.04 -2.65 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 2kcm s MET 46 CO 0.49 0.20 -0.06 0.14 -0.01 0.00 0.00 175.02 175.78 2kcm s VAL 47 N -1.75 0.91 -0.07 -6.03 -7.23 -0.86 -4.67 120.40 100.70 2kcm s VAL 47 Ca 0.53 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2kcm s VAL 47 Cb -0.16 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2kcm s VAL 47 CO 0.21 -0.70 -0.15 -2.28 -0.31 0.00 0.00 175.10 171.87 2kcm s HIS 48 N -3.50 1.69 0.03 2.82 2.46 -1.09 -3.59 115.29 114.11 2kcm s HIS 48 Ca 0.18 -0.61 -0.10 0.00 0.47 0.00 0.00 55.06 55.00 2kcm s HIS 48 Cb 0.04 -1.19 0.01 0.00 -0.13 0.00 0.00 32.58 31.31 2kcm s HIS 48 CO 0.00 -0.28 0.20 -0.59 -2.47 0.00 0.00 174.74 171.61 2kcm s PHE 49 N 0.48 0.03 0.37 3.88 -0.71 -1.26 -1.39 117.98 119.38 2kcm s PHE 49 Ca -0.13 -0.22 0.04 0.00 -1.04 0.00 0.00 56.93 55.58 2kcm s PHE 49 Cb -0.15 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 2kcm s PHE 49 CO 0.04 -0.42 0.54 -0.51 -1.34 0.00 0.00 175.22 173.54 2kcm s ASP 50 N -1.97 5.96 0.45 1.98 1.01 -0.66 -4.91 116.67 118.54 2kcm s ASP 50 Ca -0.07 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 52.99 2kcm s ASP 50 Cb -0.02 -1.43 -0.09 0.00 1.01 0.00 0.00 42.92 42.39 2kcm s ASP 50 CO -0.03 -0.50 1.30 -2.65 0.21 0.00 0.00 175.17 173.50 2kcm n PRO 51 N -1.80 1.93 -3.22 8.23 -0.02 -1.26 -3.54 135.00 135.33 2kcm n PRO 51 Ca -0.00 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2kcm n PRO 51 Cb 0.58 -2.45 -0.04 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 -1.22 -0.62 -0.87 3.45 2.01 -1.24 -4.79 115.64 112.35 2kcm s THR 52 Ca 0.63 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.61 2kcm s THR 52 Cb -0.48 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2kcm s THR 52 CO 0.57 -0.34 1.52 -2.16 -0.69 0.00 0.00 174.62 173.52 2kcm s PRO 53 N 1.38 3.20 0.23 4.92 0.04 -1.26 -2.85 135.00 140.66 2kcm s PRO 53 Ca 0.20 -0.52 0.03 0.00 0.04 0.00 0.00 61.00 60.74 2kcm s PRO 53 Cb -0.08 -4.84 -0.03 0.00 0.04 0.00 0.00 34.50 29.59 2kcm s PRO 53 CO -0.06 -2.43 0.38 0.95 0.04 0.00 0.00 177.00 175.88 2kcm s THR 54 N 6.48 5.24 0.63 1.26 -4.23 -1.24 -4.96 115.64 118.81 2kcm s THR 54 Ca 0.49 -0.71 0.23 0.00 -1.18 0.00 0.00 61.69 60.52 2kcm s THR 54 Cb -0.05 -3.81 0.29 0.00 1.34 0.00 0.00 72.50 70.27 2kcm s THR 54 CO 0.03 -0.29 1.63 -0.65 -0.54 0.00 0.00 174.62 174.79 2kcm h PRO 55 N 1.46 0.00 0.00 3.99 0.11 -1.98 0.68 132.00 136.26 2kcm h PRO 55 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kcm h PRO 55 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kcm h PRO 55 CO 0.64 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.06 2kcm n LYS 56 N -3.14 0.32 0.00 1.05 5.02 -1.26 -4.96 118.16 115.19 2kcm n LYS 56 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2kcm n LYS 56 Cb 0.80 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 1.03 1.72 3.57 0.72 0.00 0.24 -5.00 105.19 107.47 2kcm n GLY 57 Ca 0.12 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 3.07 0.07 0.99 1.43 -1.26 -3.70 118.68 119.27 2kcm s LEU 58 Ca 0.00 -0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2kcm s LEU 58 Cb 0.00 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.53 2kcm s LEU 58 CO 0.00 0.31 0.44 0.00 0.23 0.00 0.00 176.35 177.33 2kcm s ALA 59 N -0.92 -1.08 -0.06 4.21 0.00 -1.13 -3.80 121.76 118.99 2kcm s ALA 59 Ca 0.15 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 2kcm s ALA 59 Cb -0.11 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 2kcm s ALA 59 CO 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 175.76 175.28 2kcm s ALA 60 N -2.84 3.25 0.05 0.00 0.00 -1.18 -3.70 121.76 117.34 2kcm s ALA 60 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2kcm s ALA 60 Cb -0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2kcm s ALA 60 CO -0.05 0.61 -0.06 0.21 0.00 0.00 0.00 175.76 176.46 2kcm s LYS 61 N -1.10 0.54 -1.27 0.00 2.20 -1.23 -4.83 119.74 114.06 2kcm s LYS 61 Ca 0.15 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2kcm s LYS 61 Cb -0.11 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.03 2kcm s LYS 61 CO 0.05 0.01 0.88 0.00 -0.36 0.00 0.00 175.35 175.93 2kcm n ALA 62 N 1.18 -1.96 -1.95 3.13 0.00 -1.23 -1.65 120.51 118.04 2kcm n ALA 62 Ca -0.21 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2kcm n ALA 62 Cb 0.56 -2.43 -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 -3.49 3.17 0.06 0.00 1.01 -1.26 -4.41 121.20 116.28 2kcm s ILE 63 Ca 0.05 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.74 2kcm s ILE 63 Cb -0.02 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2kcm s ILE 63 CO 0.77 0.17 -0.09 -0.55 0.00 0.00 0.00 174.94 175.24 2kcm s SER 64 N 0.11 1.09 -0.52 3.58 0.15 -0.49 -4.89 113.70 112.74 2kcm s SER 64 Ca 0.54 -0.61 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 2kcm s SER 64 Cb -0.36 0.02 0.14 0.00 -1.71 0.00 0.00 66.02 64.10 2kcm s SER 64 CO 0.41 -0.20 0.32 -1.48 1.20 0.00 0.00 173.24 173.49 2kcm s LEU 65 N -1.76 5.22 0.38 3.45 2.34 -1.26 -2.68 118.68 124.37 2kcm s LEU 65 Ca -0.06 -2.46 0.14 0.00 0.06 0.00 0.00 54.13 51.82 2kcm s LEU 65 Cb -0.09 -1.84 0.99 0.00 -0.56 0.00 0.00 46.19 44.69 2kcm s LEU 65 CO 0.00 -0.45 1.82 -0.65 -1.06 0.00 0.00 176.35 176.01 2kcm h PRO 66 N 7.52 0.50 -7.10 1.48 0.11 -1.98 -3.42 132.00 129.10 2kcm h PRO 66 Ca -0.07 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.60 2kcm h PRO 66 Cb 1.00 -0.11 0.21 0.00 0.11 0.00 0.00 31.00 32.21 2kcm h PRO 66 CO 0.71 0.33 -0.05 -0.51 -0.21 0.00 0.00 178.00 178.27 2kcm s LEU 67 N -9.71 -0.15 -1.16 2.35 1.02 -1.26 -3.28 118.68 106.49 2kcm s LEU 67 Ca -0.09 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.20 2kcm s LEU 67 Cb 0.24 -2.81 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2kcm s LEU 67 CO 0.79 -4.78 0.00 -0.62 0.02 0.00 0.00 176.35 171.77 2kcm n GLU 68 N -5.27 -2.15 -1.07 1.70 4.71 -1.26 -4.92 120.64 112.39 2kcm n GLU 68 Ca 0.08 0.66 -0.29 0.00 -0.01 0.00 0.00 57.16 57.59 2kcm n GLU 68 Cb 0.57 -5.27 0.17 0.00 -1.01 0.00 0.00 31.44 25.91 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2kcm s HIS 69 N -2.68 2.05 0.48 -0.32 2.46 -1.20 -4.84 115.29 111.25 2kcm s HIS 69 Ca 0.00 1.16 0.00 0.00 0.47 0.00 0.00 55.06 56.69 2kcm s HIS 69 Cb 0.00 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.25 2kcm s HIS 69 CO 0.00 -2.84 0.00 1.58 -2.47 0.00 0.00 174.74 171.01 2kcm n HIS 70 N -4.18 -3.48 -2.28 3.88 -0.00 -1.26 -4.76 115.22 103.14 2kcm n HIS 70 Ca 0.06 1.86 -0.38 0.00 -0.00 0.00 0.00 57.72 59.25 2kcm n HIS 70 Cb 0.56 -3.17 -0.02 0.00 -0.00 0.00 0.00 29.99 27.36 2kcm n HIS 70 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcm s HIS 71 N -3.60 3.06 -1.46 1.57 0.09 -1.26 -4.89 115.29 108.81 2kcm s HIS 71 Ca 0.00 1.55 -0.09 0.00 -0.00 0.00 0.00 55.06 56.51 2kcm s HIS 71 Cb 0.00 -3.41 -0.08 0.00 -0.00 0.00 0.00 32.58 29.09 2kcm s HIS 71 CO 0.00 -1.36 2.74 1.58 -0.00 0.00 0.00 174.74 177.70 2kcm n HIS 72 N 0.11 2.24 -0.17 1.40 -0.00 -1.26 -4.55 115.22 112.98 2kcm n HIS 72 Ca 0.04 -2.83 -0.11 0.00 0.46 0.00 0.00 57.72 55.28 2kcm n HIS 72 Cb 0.46 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 2kcm n HIS 72 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kcm h HIS 73 N 5.36 1.05 0.00 1.57 3.86 -1.97 -3.56 115.15 121.47 2kcm h HIS 73 Ca 0.78 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.77 2kcm h HIS 73 Cb 0.27 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2kcm h HIS 73 CO 1.88 1.01 0.00 1.58 0.86 0.00 0.00 177.93 183.25