#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdc s GLN 2 N 0.00 3.98 -0.29 -0.52 0.74 -1.26 -5.07 119.66 117.24 3kdc s GLN 2 Ca 0.00 -0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.15 3kdc s GLN 2 Cb 0.00 -3.65 0.01 0.00 1.10 0.00 0.00 33.01 30.47 3kdc s GLN 2 CO 0.00 -0.20 0.05 0.42 -0.55 0.00 0.00 175.29 175.01 3kdc s ILE 3 N 1.82 3.74 0.83 -2.34 1.01 -1.26 -5.10 121.20 119.90 3kdc s ILE 3 Ca 0.09 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 3kdc s ILE 3 Cb -0.16 -2.94 0.09 0.00 0.01 0.00 0.00 42.46 39.47 3kdc s ILE 3 CO 0.10 0.09 1.10 0.42 0.00 0.00 0.00 174.94 176.65 3kdc s THR 4 N 1.46 2.87 -0.17 2.92 -4.23 -1.26 -5.01 115.64 112.22 3kdc s THR 4 Ca 0.02 0.28 0.17 0.00 -1.18 0.00 0.00 61.69 60.97 3kdc s THR 4 Cb -0.17 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.07 3kdc s THR 4 CO 0.01 -0.37 1.24 0.18 -0.54 0.00 0.00 174.62 175.14 3kdc n LEU 5 N -3.59 2.87 -0.34 4.79 4.77 -1.26 -4.58 117.00 119.66 3kdc n LEU 5 Ca 0.07 -2.95 0.03 0.00 -0.03 0.00 0.00 56.01 53.13 3kdc n LEU 5 Cb 0.56 -0.43 0.18 0.00 -2.33 0.00 0.00 43.42 41.40 3kdc n LEU 5 CO 0.56 0.68 1.22 -0.50 -1.33 0.00 0.00 177.39 178.03 3kdc h TRP 6 N 0.69 1.09 -1.44 -1.77 4.06 -2.06 -3.44 115.95 113.09 3kdc h TRP 6 Ca 0.00 0.03 -0.63 0.00 2.06 0.00 0.00 58.89 60.35 3kdc h TRP 6 Cb 1.11 -0.35 -0.13 0.00 -1.00 0.00 0.00 29.16 28.79 3kdc h TRP 6 CO 0.18 0.52 -0.58 0.15 -3.56 0.00 0.00 178.44 175.15 3kdc s LYS 7 N -6.03 2.01 0.18 0.49 1.02 -1.26 -5.10 119.74 111.05 3kdc s LYS 7 Ca -0.12 -2.14 -0.32 0.00 0.02 0.00 0.00 55.97 53.41 3kdc s LYS 7 Cb 0.20 -1.64 -0.11 0.00 -0.52 0.00 0.00 37.83 35.75 3kdc s LYS 7 CO 0.80 -0.11 1.75 1.03 -0.92 0.00 0.00 175.35 177.91 3kdc s ARG 8 N -3.75 4.13 -1.02 1.68 0.52 -1.26 -4.87 118.95 114.37 3kdc s ARG 8 Ca 0.31 2.60 -0.21 0.00 -0.52 0.00 0.00 55.73 57.90 3kdc s ARG 8 Cb 0.08 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 3kdc s ARG 8 CO 0.16 -0.78 1.94 -0.35 0.02 0.00 0.00 175.30 176.29 3kdc n PRO 9 N 4.50 1.82 -3.29 3.54 -0.04 -1.26 -4.93 135.00 135.33 3kdc n PRO 9 Ca 0.16 -2.25 -0.38 0.00 -0.04 0.00 0.00 63.50 60.99 3kdc n PRO 9 Cb 0.36 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 3kdc n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kdc s LEU 10 N 4.79 4.45 0.12 1.53 1.43 -1.26 -0.98 118.68 128.75 3kdc s LEU 10 Ca 0.60 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 3kdc s LEU 10 Cb 0.09 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3kdc s LEU 10 CO 0.10 0.19 -0.09 0.68 0.23 0.00 0.00 176.35 177.46 3kdc s VAL 11 N -0.57 0.93 -0.12 -1.59 -7.23 0.58 -4.95 120.40 107.45 3kdc s VAL 11 Ca 0.29 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.28 3kdc s VAL 11 Cb -0.18 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3kdc s VAL 11 CO 0.16 -0.78 0.64 -0.89 -0.31 0.00 0.00 175.10 173.92 3kdc s THR 12 N -3.36 5.06 0.18 5.32 2.01 -1.26 -0.48 115.64 123.11 3kdc s THR 12 Ca 0.13 1.27 0.10 0.00 0.31 0.00 0.00 61.69 63.50 3kdc s THR 12 Cb 0.03 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3kdc s THR 12 CO -0.02 0.21 -0.16 0.27 -0.69 0.00 0.00 174.62 174.23 3kdc s ILE 13 N 1.18 2.84 -0.23 1.82 -4.36 0.13 -3.74 121.20 118.84 3kdc s ILE 13 Ca 0.32 -1.78 -0.01 0.00 -0.26 0.00 0.00 60.65 58.93 3kdc s ILE 13 Cb -0.16 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.19 3kdc s ILE 13 CO 0.14 -0.09 -0.09 -0.75 0.24 0.00 0.00 174.94 174.39 3kdc s LYS 14 N -2.68 2.87 -0.03 0.37 2.20 -0.22 -1.19 119.74 121.06 3kdc s LYS 14 Ca 0.22 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3kdc s LYS 14 Cb -0.09 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3kdc s LYS 14 CO 0.13 -0.35 -0.01 -1.50 -0.36 0.00 0.00 175.35 173.25 3kdc s ILE 15 N 1.31 0.24 -1.38 5.43 2.07 -0.32 -1.19 121.20 127.36 3kdc s ILE 15 Ca 0.01 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3kdc s ILE 15 Cb -0.16 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.13 3kdc s ILE 15 CO -0.06 0.15 0.01 0.61 -1.91 0.00 0.00 174.94 173.74 3kdc n GLY 16 N 3.96 -0.50 2.31 1.50 0.00 -1.26 -0.54 105.19 110.66 3kdc n GLY 16 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3kdc n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdc n GLY 17 N -0.91 0.72 3.49 -0.02 0.00 -1.26 -5.03 105.19 102.18 3kdc n GLY 17 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3kdc n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kdc s GLN 18 N -0.06 2.59 0.02 1.61 -0.21 0.30 -5.11 119.66 118.81 3kdc s GLN 18 Ca 0.00 -0.66 -0.23 0.00 0.02 0.00 0.00 55.36 54.48 3kdc s GLN 18 Cb 0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 3kdc s GLN 18 CO 0.00 0.61 0.71 -0.51 -2.12 0.00 0.00 175.29 173.98 3kdc s LEU 19 N -0.70 4.43 0.03 2.90 1.43 -1.26 -1.18 118.68 124.33 3kdc s LEU 19 Ca 0.11 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 3kdc s LEU 19 Cb -0.11 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3kdc s LEU 19 CO 0.01 0.03 0.07 -0.54 0.23 0.00 0.00 176.35 176.15 3kdc s LYS 20 N -0.03 0.51 0.02 1.70 1.02 -0.34 -4.99 119.74 117.64 3kdc s LYS 20 Ca 0.36 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3kdc s LYS 20 Cb -0.20 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.25 3kdc s LYS 20 CO 0.21 -0.12 0.55 -2.00 -0.92 0.00 0.00 175.35 173.07 3kdc s GLU 21 N -2.22 4.22 0.00 1.68 2.12 -1.26 0.17 118.70 123.40 3kdc s GLU 21 Ca -0.08 0.67 -0.09 0.00 0.36 0.00 0.00 54.97 55.83 3kdc s GLU 21 Cb -0.04 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3kdc s GLU 21 CO -0.03 0.51 0.17 0.00 -0.54 0.00 0.00 175.26 175.37 3kdc s ALA 22 N -0.65 -0.40 -0.18 6.30 0.00 0.37 -4.48 121.76 122.72 3kdc s ALA 22 Ca 0.29 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 3kdc s ALA 22 Cb -0.18 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3kdc s ALA 22 CO 0.17 -0.22 0.36 -1.17 0.00 0.00 0.00 175.76 174.91 3kdc s LEU 23 N -1.37 4.20 -0.53 0.00 2.96 0.12 -0.31 118.68 123.74 3kdc s LEU 23 Ca -0.15 0.53 -0.28 0.00 -0.22 0.00 0.00 54.13 54.02 3kdc s LEU 23 Cb -0.07 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.15 3kdc s LEU 23 CO 0.02 -0.01 1.48 -0.76 -1.32 0.00 0.00 176.35 175.76 3kdc s LEU 24 N 0.95 3.42 -0.31 -0.68 1.43 -0.16 -0.59 118.68 122.74 3kdc s LEU 24 Ca 0.19 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3kdc s LEU 24 Cb -0.14 -3.10 0.09 0.00 0.03 0.00 0.00 46.19 43.07 3kdc s LEU 24 CO 0.07 -1.73 0.00 -0.62 0.23 0.00 0.00 176.35 174.29 3kdc s ASP 25 N 4.80 4.58 0.35 2.29 -1.08 -0.45 -4.79 116.67 122.37 3kdc s ASP 25 Ca 0.57 -1.85 0.27 0.00 -0.52 0.00 0.00 52.55 51.01 3kdc s ASP 25 Cb -0.12 -1.53 1.00 0.00 -1.46 0.00 0.00 42.92 40.80 3kdc s ASP 25 CO 0.26 -0.32 1.79 0.71 0.52 0.00 0.00 175.17 178.13 3kdc h THR 26 N 6.65 0.00 0.00 1.71 1.35 -1.93 -2.98 112.91 117.71 3kdc h THR 26 Ca -0.10 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3kdc h THR 26 Cb 1.03 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3kdc h THR 26 CO 0.49 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.22 3kdc n GLY 27 N 0.34 -1.57 3.68 5.82 0.00 -1.26 -4.80 105.19 107.41 3kdc n GLY 27 Ca 0.02 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3kdc n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdc s ALA 28 N -3.08 3.58 0.15 4.61 0.00 -1.12 -4.99 121.76 120.92 3kdc s ALA 28 Ca 0.11 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.33 3kdc s ALA 28 Cb 0.15 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.79 3kdc s ALA 28 CO 0.61 -0.19 1.60 -0.44 0.00 0.00 0.00 175.76 177.34 3kdc h ASP 29 N 7.27 0.89 -1.80 0.00 3.32 -1.87 -0.21 116.42 124.02 3kdc h ASP 29 Ca -0.38 -0.32 -0.60 0.00 0.02 0.00 0.00 57.03 55.75 3kdc h ASP 29 Cb 1.16 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 3kdc h ASP 29 CO 0.71 0.99 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.84 3kdc s ASP 30 N -6.42 3.52 -0.20 6.45 1.01 -1.26 -2.55 116.67 117.22 3kdc s ASP 30 Ca -0.12 -1.48 -0.12 0.00 0.71 0.00 0.00 52.55 51.54 3kdc s ASP 30 Cb 0.12 0.01 -0.05 0.00 1.01 0.00 0.00 42.92 44.01 3kdc s ASP 30 CO 0.83 -0.64 0.21 -0.89 0.21 0.00 0.00 175.17 174.89 3kdc s THR 31 N -2.93 5.35 -0.08 -1.27 2.01 -1.26 -3.39 115.64 114.07 3kdc s THR 31 Ca 0.26 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.63 3kdc s THR 31 Cb 0.07 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 69.04 3kdc s THR 31 CO 0.13 0.38 -0.16 0.54 -0.69 0.00 0.00 174.62 174.82 3kdc s VAL 32 N 0.67 1.45 0.01 3.82 0.11 -0.76 -0.18 120.40 125.53 3kdc s VAL 32 Ca 0.11 -0.67 0.08 0.00 -2.93 0.00 0.00 61.98 58.58 3kdc s VAL 32 Cb -0.13 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3kdc s VAL 32 CO 0.02 0.43 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.34 3kdc s ILE 33 N 0.53 2.20 0.97 7.04 -1.09 0.73 -1.35 121.20 130.23 3kdc s ILE 33 Ca -0.16 -1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 56.89 3kdc s ILE 33 Cb -0.16 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.91 3kdc s ILE 33 CO 0.05 0.46 0.18 -1.84 -1.23 0.00 0.00 174.94 172.57 3kdc n GLU 34 N 2.05 -0.35 -1.62 2.79 0.28 -1.26 -1.62 120.64 120.92 3kdc n GLU 34 Ca -0.16 -0.07 -0.56 0.00 -0.16 0.00 0.00 57.16 56.21 3kdc n GLU 34 Cb 0.52 -1.72 -0.07 0.00 1.43 0.00 0.00 31.44 31.60 3kdc n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kdc n GLU 35 N -1.10 0.92 -3.61 3.44 -0.58 -1.22 -4.55 120.64 113.93 3kdc n GLU 35 Ca 0.05 0.33 -0.08 0.00 -0.42 0.00 0.00 57.16 57.05 3kdc n GLU 35 Cb 0.55 -1.96 -0.02 0.00 -0.57 0.00 0.00 31.44 29.44 3kdc n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdc s MET 36 N 1.42 1.18 0.03 3.49 0.23 -1.26 -5.04 119.30 119.35 3kdc s MET 36 Ca 0.90 -0.55 -0.20 0.00 -1.03 0.00 0.00 55.69 54.81 3kdc s MET 36 Cb -1.06 0.47 -0.06 0.00 -1.53 0.00 0.00 34.83 32.65 3kdc s MET 36 CO 0.56 -0.53 0.59 -1.12 -2.03 0.00 0.00 175.02 172.49 3kdc s SER 37 N -2.74 7.02 0.06 -1.18 0.01 -1.26 -5.03 113.70 110.58 3kdc s SER 37 Ca 0.07 1.22 0.04 0.00 1.31 0.00 0.00 55.95 58.59 3kdc s SER 37 Cb -0.02 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3kdc s SER 37 CO -0.04 0.17 -0.12 -0.76 0.41 0.00 0.00 173.24 172.89 3kdc s LEU 38 N -0.55 2.25 0.73 2.44 1.43 -1.26 -4.89 118.68 118.83 3kdc s LEU 38 Ca 0.31 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3kdc s LEU 38 Cb -0.19 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.63 3kdc s LEU 38 CO 0.18 -0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.62 3kdc s PRO 39 N -1.58 2.54 0.84 1.29 0.04 -1.26 -4.94 135.00 131.93 3kdc s PRO 39 Ca -0.03 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3kdc s PRO 39 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3kdc s PRO 39 CO 0.02 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.26 3kdc n GLY 40 N -3.07 -2.10 3.96 0.56 0.00 -1.26 -4.95 105.19 98.32 3kdc n GLY 40 Ca 0.07 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 3kdc n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kdc s ARG 41 N -0.08 3.21 0.09 1.61 3.00 -1.26 -5.10 118.95 120.40 3kdc s ARG 41 Ca 0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 55.73 54.11 3kdc s ARG 41 Cb 0.00 -2.66 -0.02 0.00 0.00 0.00 0.00 34.95 32.27 3kdc s ARG 41 CO 0.00 -0.05 0.10 1.67 0.00 0.00 0.00 175.30 177.02 3kdc s TRP 42 N -2.38 0.39 0.08 5.12 1.48 -1.26 -4.37 118.94 117.99 3kdc s TRP 42 Ca 0.45 -0.85 0.04 0.00 -1.06 0.00 0.00 56.10 54.67 3kdc s TRP 42 Cb -0.10 -0.23 -0.03 0.00 -1.16 0.00 0.00 33.47 31.95 3kdc s TRP 42 CO 0.35 -0.50 -0.11 -1.59 -4.06 0.00 0.00 176.95 171.05 3kdc s LYS 43 N -3.91 0.77 0.51 3.25 -2.85 -0.95 -4.92 119.74 111.63 3kdc s LYS 43 Ca 0.09 -1.01 -0.20 0.00 -1.00 0.00 0.00 55.97 53.84 3kdc s LYS 43 Cb 0.06 -0.55 -0.07 0.00 -2.06 0.00 0.00 37.83 35.21 3kdc s LYS 43 CO -0.08 0.10 1.08 -2.14 0.10 0.00 0.00 175.35 174.40 3kdc s PRO 44 N -2.25 3.63 -0.00 1.78 0.02 -1.26 -0.83 135.00 136.08 3kdc s PRO 44 Ca -0.00 1.47 -0.16 0.00 0.02 0.00 0.00 61.00 62.33 3kdc s PRO 44 Cb -0.06 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3kdc s PRO 44 CO 0.01 -0.60 0.33 0.21 -0.33 0.00 0.00 177.00 176.62 3kdc s LYS 45 N -3.24 0.73 -0.16 5.54 2.20 -0.61 -4.86 119.74 119.34 3kdc s LYS 45 Ca 0.69 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 3kdc s LYS 45 Cb -0.19 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 3kdc s LYS 45 CO 0.23 -0.21 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.31 3kdc s MET 46 N -1.60 3.60 -0.04 4.03 -1.94 -1.26 -0.51 119.30 121.59 3kdc s MET 46 Ca -0.12 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.38 3kdc s MET 46 Cb -0.04 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 3kdc s MET 46 CO 0.03 0.21 -0.25 0.96 -0.01 0.00 0.00 175.02 175.95 3kdc s ILE 47 N 0.44 2.02 0.08 2.53 -4.36 -0.59 -4.97 121.20 116.36 3kdc s ILE 47 Ca -0.05 -1.08 0.09 0.00 -0.26 0.00 0.00 60.65 59.36 3kdc s ILE 47 Cb -0.15 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 3kdc s ILE 47 CO 0.03 0.57 -0.22 -0.83 0.24 0.00 0.00 174.94 174.73 3kdc s GLY 48 N -0.41 1.56 0.00 6.27 0.00 -1.26 -1.15 107.32 112.33 3kdc s GLY 48 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.44 3kdc s GLY 48 CO 0.01 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.47 3kdc n GLY 49 N 1.29 3.69 0.20 0.20 0.00 -0.14 -4.98 105.19 105.45 3kdc n GLY 49 Ca -0.17 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 3kdc n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kdc h ILE 50 N 0.00 0.99 -0.38 -0.61 2.04 -2.03 -2.57 117.51 114.96 3kdc h ILE 50 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kdc h ILE 50 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3kdc h ILE 50 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.86 3kdc n GLY 51 N -1.24 1.91 0.09 5.37 0.00 -1.26 -5.03 105.19 105.03 3kdc n GLY 51 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3kdc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdc n GLY 52 N 0.66 0.26 3.58 -0.02 0.00 -0.97 -5.04 105.19 103.67 3kdc n GLY 52 Ca 0.16 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3kdc n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kdc s PHE 53 N 0.00 2.80 0.16 1.61 0.40 -1.26 -0.96 117.98 120.73 3kdc s PHE 53 Ca 0.00 -0.11 0.09 0.00 -0.60 0.00 0.00 56.93 56.30 3kdc s PHE 53 Cb 0.00 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 3kdc s PHE 53 CO 0.00 0.39 -0.19 0.96 0.70 0.00 0.00 175.22 177.09 3kdc s ILE 54 N -1.12 1.83 -0.11 0.64 -4.36 -0.30 -4.97 121.20 112.82 3kdc s ILE 54 Ca 0.20 -1.90 -0.18 0.00 -0.26 0.00 0.00 60.65 58.51 3kdc s ILE 54 Cb -0.11 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 3kdc s ILE 54 CO 0.11 -0.29 0.47 -0.75 0.24 0.00 0.00 174.94 174.72 3kdc s LYS 55 N -2.73 4.30 0.27 0.37 2.20 -1.26 -1.54 119.74 121.35 3kdc s LYS 55 Ca 0.15 0.44 0.05 0.00 -0.36 0.00 0.00 55.97 56.24 3kdc s LYS 55 Cb -0.06 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.79 3kdc s LYS 55 CO 0.07 0.21 -0.01 0.14 -0.36 0.00 0.00 175.35 175.40 3kdc s VAL 56 N 0.45 1.27 -0.20 4.02 -7.23 0.33 -4.43 120.40 114.62 3kdc s VAL 56 Ca 0.25 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 3kdc s VAL 56 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 3kdc s VAL 56 CO 0.10 -0.25 0.07 -0.13 -0.31 0.00 0.00 175.10 174.59 3kdc s ARG 57 N -3.82 3.93 -0.36 4.82 0.52 0.88 -1.57 118.95 123.35 3kdc s ARG 57 Ca 0.31 -0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.00 3kdc s ARG 57 Cb 0.06 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3kdc s ARG 57 CO 0.11 0.17 0.40 -1.14 0.02 0.00 0.00 175.30 174.87 3kdc s GLN 58 N 0.65 3.50 -0.19 3.54 0.74 -0.01 -0.50 119.66 127.39 3kdc s GLN 58 Ca 0.04 -0.42 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 3kdc s GLN 58 Cb -0.13 -3.83 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 3kdc s GLN 58 CO 0.02 -0.60 -0.00 0.71 -0.55 0.00 0.00 175.29 174.86 3kdc s TYR 59 N 2.11 3.05 0.33 1.67 1.51 -0.08 -2.25 117.35 123.69 3kdc s TYR 59 Ca 0.13 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3kdc s TYR 59 Cb -0.16 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 3kdc s TYR 59 CO 0.12 -0.15 0.50 -0.51 -1.11 0.00 0.00 175.55 174.41 3kdc s ASP 60 N 0.77 6.24 -1.31 2.29 1.01 -1.26 -0.16 116.67 124.25 3kdc s ASP 60 Ca 0.00 0.29 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 3kdc s ASP 60 Cb -0.14 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.90 3kdc s ASP 60 CO 0.02 -0.28 0.68 0.00 0.21 0.00 0.00 175.17 175.80 3kdc n GLN 61 N -1.70 -4.82 -3.99 8.23 6.02 -1.17 -4.89 117.38 115.05 3kdc n GLN 61 Ca -0.05 0.61 -0.35 0.00 -0.01 0.00 0.00 57.00 57.20 3kdc n GLN 61 Cb 0.57 -5.14 -0.09 0.00 1.02 0.00 0.00 30.24 26.59 3kdc n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kdc s ILE 62 N -3.69 4.87 -0.04 5.09 -1.09 0.77 -4.80 121.20 122.31 3kdc s ILE 62 Ca 0.00 -0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 3kdc s ILE 62 Cb -0.00 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 3kdc s ILE 62 CO 0.82 0.48 0.63 -0.63 -1.23 0.00 0.00 174.94 175.00 3kdc s ILE 63 N 0.17 5.00 0.04 2.92 1.01 -1.26 -1.02 121.20 128.06 3kdc s ILE 63 Ca 0.05 1.30 0.05 0.00 0.00 0.00 0.00 60.65 62.05 3kdc s ILE 63 Cb -0.12 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3kdc s ILE 63 CO 0.00 0.33 -0.14 -0.63 0.00 0.00 0.00 174.94 174.50 3kdc s ILE 64 N 0.34 1.13 -0.28 2.92 1.01 0.56 -4.53 121.20 122.35 3kdc s ILE 64 Ca 0.33 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3kdc s ILE 64 Cb -0.18 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 3kdc s ILE 64 CO 0.17 -0.02 0.10 -1.61 0.00 0.00 0.00 174.94 173.57 3kdc s GLU 65 N -1.23 3.46 -0.26 2.79 2.02 -0.33 -0.72 118.70 124.43 3kdc s GLU 65 Ca 0.01 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.41 3kdc s GLU 65 Cb -0.08 -3.41 0.06 0.00 0.10 0.00 0.00 34.13 30.80 3kdc s GLU 65 CO 0.01 -0.31 -0.08 0.42 0.02 0.00 0.00 175.26 175.33 3kdc s ILE 66 N 1.59 1.98 -1.30 -1.63 1.01 0.49 -1.05 121.20 122.30 3kdc s ILE 66 Ca 0.05 -1.57 -0.15 0.00 0.00 0.00 0.00 60.65 58.98 3kdc s ILE 66 Cb -0.16 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3kdc s ILE 66 CO 0.04 -0.10 0.54 0.00 0.00 0.00 0.00 174.94 175.42 3kdc n GLY 68 N -2.01 0.71 3.15 0.00 0.00 -1.26 -5.00 105.19 100.77 3kdc n GLY 68 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3kdc n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdc s HIS 69 N -2.93 2.99 0.24 1.61 4.02 -0.26 -5.11 115.29 115.84 3kdc s HIS 69 Ca 0.00 -1.71 -0.30 0.00 1.02 0.00 0.00 55.06 54.07 3kdc s HIS 69 Cb 0.00 -1.98 -0.09 0.00 -1.02 0.00 0.00 32.58 29.49 3kdc s HIS 69 CO 0.00 -0.78 1.03 0.15 1.02 0.00 0.00 174.74 176.16 3kdc s LYS 70 N 1.28 4.73 0.00 1.40 1.02 -1.26 -0.38 119.74 126.52 3kdc s LYS 70 Ca 0.01 1.64 -0.05 0.00 0.02 0.00 0.00 55.97 57.58 3kdc s LYS 70 Cb -0.16 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 33.90 3kdc s LYS 70 CO -0.08 0.32 0.10 0.00 -0.92 0.00 0.00 175.35 174.77 3kdc s ALA 71 N -0.96 -0.23 0.03 5.17 0.00 0.11 -4.89 121.76 121.00 3kdc s ALA 71 Ca 0.44 -0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.30 3kdc s ALA 71 Cb -0.29 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 3kdc s ALA 71 CO 0.36 -0.18 -0.21 -1.50 0.00 0.00 0.00 175.76 174.23 3kdc s ILE 72 N -1.22 2.54 -1.59 0.00 2.07 -1.26 -0.33 121.20 121.42 3kdc s ILE 72 Ca -0.13 -1.20 0.00 0.00 -1.41 0.00 0.00 60.65 57.90 3kdc s ILE 72 Cb -0.07 -2.02 0.00 0.00 0.13 0.00 0.00 42.46 40.49 3kdc s ILE 72 CO 0.01 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 174.04 3kdc n GLY 73 N 1.77 -1.46 3.74 1.50 0.00 -0.19 -4.90 105.19 105.65 3kdc n GLY 73 Ca -0.16 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3kdc n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdc s THR 74 N -2.56 3.82 -0.07 2.61 2.01 -1.26 -0.17 115.64 120.02 3kdc s THR 74 Ca 0.00 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.60 3kdc s THR 74 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.52 3kdc s THR 74 CO 0.00 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 3kdc s VAL 75 N -0.25 1.20 -0.04 3.82 1.01 0.77 -4.43 120.40 122.48 3kdc s VAL 75 Ca 0.50 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 3kdc s VAL 75 Cb -0.30 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3kdc s VAL 75 CO 0.35 0.37 0.28 -0.76 0.00 0.00 0.00 175.10 175.34 3kdc s LEU 76 N 0.62 4.42 -0.10 3.92 1.43 0.75 -0.90 118.68 128.82 3kdc s LEU 76 Ca -0.14 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3kdc s LEU 76 Cb -0.16 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3kdc s LEU 76 CO 0.04 0.34 -0.17 -0.69 0.23 0.00 0.00 176.35 176.10 3kdc s VAL 77 N -1.11 1.56 -0.83 -1.59 1.01 0.34 -0.19 120.40 119.59 3kdc s VAL 77 Ca 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3kdc s VAL 77 Cb -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3kdc s VAL 77 CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3kdc n GLY 78 N 3.92 -1.08 2.07 4.51 0.00 -0.64 -0.08 105.19 113.89 3kdc n GLY 78 Ca -0.20 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 3kdc n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kdc n PRO 79 N 0.00 2.05 -2.49 1.61 -0.04 -1.26 -3.46 135.00 131.41 3kdc n PRO 79 Ca 0.00 -1.07 -0.41 0.00 -0.04 0.00 0.00 63.50 61.99 3kdc n PRO 79 Cb 0.00 -2.06 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 3kdc n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kdc s THR 80 N 1.26 3.72 -0.31 0.52 -1.32 -1.26 -4.95 115.64 113.31 3kdc s THR 80 Ca 0.63 1.55 0.27 0.00 -1.21 0.00 0.00 61.69 62.94 3kdc s THR 80 Cb 0.28 -3.99 0.31 0.00 -1.51 0.00 0.00 72.50 67.59 3kdc s THR 80 CO -0.01 0.30 1.81 1.55 -2.21 0.00 0.00 174.62 176.06 3kdc h PRO 81 N 4.70 0.00 -3.32 7.08 0.13 -1.99 -3.43 132.00 135.17 3kdc h PRO 81 Ca -0.45 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 3kdc h PRO 81 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3kdc h PRO 81 CO 0.71 0.00 -0.55 0.08 -0.23 0.00 0.00 178.00 178.01 3kdc s VAL 82 N -3.40 -0.01 -0.02 1.56 1.01 -1.26 -5.10 120.40 113.17 3kdc s VAL 82 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3kdc s VAL 82 Cb 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 36.18 3kdc s VAL 82 CO 0.49 0.02 1.54 0.20 0.00 0.00 0.00 175.10 177.35 3kdc s ASN 83 N 0.37 6.73 -0.09 3.32 0.01 -1.26 -4.80 114.94 119.22 3kdc s ASN 83 Ca -0.02 2.21 0.01 0.00 -0.71 0.00 0.00 52.86 54.34 3kdc s ASN 83 Cb -0.04 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.09 3kdc s ASN 83 CO -0.02 -0.84 -0.11 0.27 -1.51 0.00 0.00 177.10 174.89 3kdc s ILE 84 N 3.19 1.15 -0.34 0.60 -4.36 -0.46 0.11 121.20 121.08 3kdc s ILE 84 Ca 0.69 -0.43 -0.24 0.00 -0.26 0.00 0.00 60.65 60.41 3kdc s ILE 84 Cb -0.33 -1.09 0.01 0.00 1.25 0.00 0.00 42.46 42.30 3kdc s ILE 84 CO 0.28 0.37 0.82 -0.63 0.24 0.00 0.00 174.94 176.02 3kdc s ILE 85 N 1.09 4.72 0.55 8.37 -1.09 0.24 -1.82 121.20 133.25 3kdc s ILE 85 Ca -0.06 1.06 0.03 0.00 -2.23 0.00 0.00 60.65 59.45 3kdc s ILE 85 Cb -0.14 -4.22 0.10 0.00 -1.58 0.00 0.00 42.46 36.62 3kdc s ILE 85 CO -0.02 -0.40 0.76 0.61 -1.23 0.00 0.00 174.94 174.66 3kdc n GLY 86 N 4.38 1.15 0.28 6.18 0.00 -1.22 -1.34 105.19 114.63 3kdc n GLY 86 Ca 0.04 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 44.03 3kdc n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdc h ARG 87 N 0.00 0.30 -0.43 1.61 3.08 -1.01 -1.16 114.38 116.77 3kdc h ARG 87 Ca -0.25 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 59.87 3kdc h ARG 87 Cb 1.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3kdc h ARG 87 CO 0.30 0.22 0.30 -2.95 -1.07 0.00 0.00 179.97 176.77 3kdc h ASN 88 N 0.31 0.14 0.00 7.04 -1.07 -1.76 -1.62 115.58 118.61 3kdc h ASN 88 Ca 0.08 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.24 3kdc h ASN 88 Cb 0.00 -0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 36.18 3kdc h ASN 88 CO -0.01 0.08 -2.01 0.18 0.07 0.00 0.00 177.43 175.74 3kdc n LEU 89 N -4.45 0.00 -0.21 6.14 4.77 -0.91 -4.41 117.00 117.93 3kdc n LEU 89 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3kdc n LEU 89 Cb 0.39 0.29 0.24 0.00 -2.33 0.00 0.00 43.42 42.02 3kdc n LEU 89 CO 0.35 0.29 1.22 -0.07 -1.33 0.00 0.00 177.39 177.85 3kdc h LEU 90 N 0.00 0.85 -1.09 2.23 3.38 -0.93 -2.10 115.31 117.65 3kdc h LEU 90 Ca -0.32 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3kdc h LEU 90 Cb 1.67 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 3kdc h LEU 90 CO 0.02 0.63 0.59 0.71 0.09 0.00 0.00 178.44 180.48 3kdc h THR 91 N 1.00 1.24 0.00 0.22 1.35 -1.52 -1.59 112.91 113.60 3kdc h THR 91 Ca 0.27 -0.44 -0.07 0.00 -0.55 0.00 0.00 66.41 65.62 3kdc h THR 91 Cb -0.09 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.23 3kdc h THR 91 CO -0.05 0.23 -0.31 1.56 -0.25 0.00 0.00 175.52 176.69 3kdc h GLN 92 N 1.24 0.00 -0.02 4.72 1.08 -1.59 -1.96 115.11 118.58 3kdc h GLN 92 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 3kdc h GLN 92 Cb -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3kdc h GLN 92 CO -0.07 0.31 -0.08 0.44 -0.95 0.00 0.00 178.83 178.48 3kdc n ILE 93 N -3.66 0.00 -1.41 2.54 -5.35 -1.16 -4.95 119.36 105.37 3kdc n ILE 93 Ca -0.01 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3kdc n ILE 93 Cb 0.43 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 3kdc n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdc n GLY 94 N 1.27 0.49 3.70 3.28 0.00 -0.74 -5.02 105.19 108.18 3kdc n GLY 94 Ca 0.16 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3kdc n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdc s THR 96 N 1.49 1.45 -0.20 0.00 -4.23 -1.26 -4.63 115.64 108.26 3kdc s THR 96 Ca 0.55 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.88 3kdc s THR 96 Cb -0.25 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 3kdc s THR 96 CO 0.26 -0.24 0.15 -0.76 -0.54 0.00 0.00 174.62 173.49 3kdc s LEU 97 N -3.43 4.21 -0.04 4.79 1.43 -1.26 -5.10 118.68 119.28 3kdc s LEU 97 Ca 0.31 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3kdc s LEU 97 Cb 0.05 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3kdc s LEU 97 CO 0.12 0.17 -0.09 0.20 0.23 0.00 0.00 176.35 176.97 3kdc s ASN 98 N 0.39 1.36 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.55 3kdc s ASN 98 Ca 0.09 -0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 3kdc s ASN 98 Cb -0.11 -0.50 0.00 0.00 -0.02 0.00 0.00 41.25 40.62 3kdc s ASN 98 CO -0.01 0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.78