#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 3.91 -0.25 0.54 0.74 -1.26 -5.09 119.66 118.25 3kdc s GLN 2 Ca 0.00 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 3kdc s GLN 2 Cb 0.00 -3.37 0.03 0.00 1.10 0.00 0.00 33.01 30.77 3kdc s GLN 2 CO 0.00 0.05 -0.06 0.42 -0.55 0.00 0.00 175.29 175.15 3kdc s ILE 3 N 1.02 2.87 0.79 -2.34 1.01 -1.26 -5.11 121.20 118.19 3kdc s ILE 3 Ca 0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 3kdc s ILE 3 Cb -0.14 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 39.91 3kdc s ILE 3 CO 0.04 0.16 1.12 0.42 0.00 0.00 0.00 174.94 176.68 3kdc s THR 4 N 1.31 2.77 -0.18 2.92 -4.23 -1.26 -5.02 115.64 111.95 3kdc s THR 4 Ca -0.01 0.25 0.16 0.00 -1.18 0.00 0.00 61.69 60.91 3kdc s THR 4 Cb -0.17 -3.14 0.40 0.00 1.34 0.00 0.00 72.50 70.93 3kdc s THR 4 CO -0.04 -0.33 1.27 0.18 -0.54 0.00 0.00 174.62 175.16 3kdc n LEU 5 N -3.32 3.03 0.22 4.79 4.77 -1.26 -4.61 117.00 120.62 3kdc n LEU 5 Ca 0.07 -3.33 0.08 0.00 -0.03 0.00 0.00 56.01 52.81 3kdc n LEU 5 Cb 0.58 -0.50 0.52 0.00 -2.33 0.00 0.00 43.42 41.68 3kdc n LEU 5 CO 0.57 0.91 0.83 -0.50 -1.33 0.00 0.00 177.39 177.87 3kdc h TRP 6 N 0.74 0.00 -2.95 -1.77 4.06 -2.06 -3.44 115.95 110.54 3kdc h TRP 6 Ca 0.03 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.50 3kdc h TRP 6 Cb 1.20 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.22 3kdc h TRP 6 CO 0.40 0.25 -0.57 -1.59 -3.56 0.00 0.00 178.44 173.37 3kdc s LYS 7 N -4.00 1.72 0.26 0.49 -2.85 -1.26 -5.12 119.74 108.97 3kdc s LYS 7 Ca -0.02 -1.99 -0.31 0.00 -1.00 0.00 0.00 55.97 52.65 3kdc s LYS 7 Cb 0.13 -0.64 -0.12 0.00 -2.06 0.00 0.00 37.83 35.13 3kdc s LYS 7 CO 0.65 -0.33 1.63 0.54 0.10 0.00 0.00 175.35 177.94 3kdc n ARG 8 N -0.74 2.68 -1.41 1.78 1.74 -1.26 -4.86 116.66 114.59 3kdc n ARG 8 Ca -0.03 0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 3kdc n ARG 8 Cb 0.66 -2.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.32 3kdc n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kdc n PRO 9 N 2.77 2.28 -3.20 5.56 -0.04 -1.26 -4.92 135.00 136.18 3kdc n PRO 9 Ca 0.11 -2.20 -0.39 0.00 -0.04 0.00 0.00 63.50 60.98 3kdc n PRO 9 Cb 0.36 -3.07 -0.05 0.00 -0.04 0.00 0.00 33.50 30.69 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 1.56 4.31 0.24 1.53 1.43 -1.26 -1.34 118.68 125.15 3kdc s LEU 10 Ca 0.52 1.01 0.05 0.00 -1.03 0.00 0.00 54.13 54.68 3kdc s LEU 10 Cb 0.14 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3kdc s LEU 10 CO 0.00 -0.03 -0.04 0.68 0.23 0.00 0.00 176.35 177.19 3kdc s VAL 11 N 0.58 1.28 0.04 -1.59 -7.23 0.10 -4.94 120.40 108.65 3kdc s VAL 11 Ca 0.31 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 3kdc s VAL 11 Cb -0.17 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.40 3kdc s VAL 11 CO 0.14 -0.37 0.71 -0.89 -0.31 0.00 0.00 175.10 174.38 3kdc s THR 12 N -3.25 4.76 0.26 5.32 2.01 -1.26 -0.54 115.64 122.93 3kdc s THR 12 Ca 0.27 1.51 0.11 0.00 0.31 0.00 0.00 61.69 63.89 3kdc s THR 12 Cb 0.04 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3kdc s THR 12 CO 0.09 0.40 -0.19 0.27 -0.69 0.00 0.00 174.62 174.49 3kdc s ILE 13 N -0.20 2.32 -0.13 1.82 -4.36 0.14 -2.03 121.20 118.75 3kdc s ILE 13 Ca 0.36 -2.33 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 3kdc s ILE 13 Cb -0.20 -2.22 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3kdc s ILE 13 CO 0.21 -0.41 -0.14 -0.75 0.24 0.00 0.00 174.94 174.10 3kdc s LYS 14 N -3.44 2.18 -0.06 0.37 2.20 0.87 -1.24 119.74 120.63 3kdc s LYS 14 Ca 0.27 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 55.34 3kdc s LYS 14 Cb -0.05 -1.97 0.04 0.00 -1.51 0.00 0.00 37.83 34.34 3kdc s LYS 14 CO 0.13 -0.18 0.13 -1.50 -0.36 0.00 0.00 175.35 173.57 3kdc s ILE 15 N 1.34 -0.11 -1.62 5.43 2.07 -0.82 -0.83 121.20 126.66 3kdc s ILE 15 Ca 0.01 0.24 -0.00 0.00 -1.41 0.00 0.00 60.65 59.49 3kdc s ILE 15 Cb -0.13 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.23 3kdc s ILE 15 CO -0.07 0.10 0.03 0.61 -1.91 0.00 0.00 174.94 173.69 3kdc n GLY 16 N 4.54 -0.42 2.28 1.50 0.00 -1.26 -2.11 105.19 109.72 3kdc n GLY 16 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.04 0.40 3.35 -0.02 0.00 -1.26 -5.02 105.19 101.60 3kdc n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.45 2.69 0.08 1.61 -1.52 -0.89 -5.11 119.66 116.05 3kdc s GLN 18 Ca 0.00 -0.80 -0.26 0.00 -1.95 0.00 0.00 55.36 52.35 3kdc s GLN 18 Cb 0.00 -2.32 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 3kdc s GLN 18 CO 0.00 0.43 0.80 -0.51 -0.25 0.00 0.00 175.29 175.76 3kdc s LEU 19 N -0.24 4.48 0.03 2.90 1.43 -1.26 -1.95 118.68 124.06 3kdc s LEU 19 Ca -0.00 1.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.62 3kdc s LEU 19 Cb -0.13 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 3kdc s LEU 19 CO 0.03 0.03 0.01 -0.54 0.23 0.00 0.00 176.35 176.11 3kdc s LYS 20 N -0.21 0.48 0.03 1.70 1.02 -0.37 -4.98 119.74 117.41 3kdc s LYS 20 Ca 0.40 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 55.37 3kdc s LYS 20 Cb -0.21 0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 37.21 3kdc s LYS 20 CO 0.25 -0.10 0.55 -2.00 -0.92 0.00 0.00 175.35 173.13 3kdc s GLU 21 N -2.51 4.21 0.09 1.68 2.12 -1.26 0.28 118.70 123.31 3kdc s GLU 21 Ca -0.06 0.68 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 3kdc s GLU 21 Cb -0.02 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3kdc s GLU 21 CO -0.05 0.53 0.09 0.00 -0.54 0.00 0.00 175.26 175.29 3kdc s ALA 22 N -0.70 0.26 -0.17 6.30 0.00 0.30 -4.49 121.76 123.26 3kdc s ALA 22 Ca 0.29 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 3kdc s ALA 22 Cb -0.18 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3kdc s ALA 22 CO 0.17 -0.46 -0.02 -1.17 0.00 0.00 0.00 175.76 174.28 3kdc s LEU 23 N -2.93 3.30 -0.35 0.00 2.96 0.40 0.03 118.68 122.10 3kdc s LEU 23 Ca 0.10 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3kdc s LEU 23 Cb 0.06 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.95 3kdc s LEU 23 CO -0.07 0.13 1.36 -0.76 -1.32 0.00 0.00 176.35 175.69 3kdc s LEU 24 N 0.57 3.73 -0.35 -0.68 1.43 -0.45 -0.22 118.68 122.72 3kdc s LEU 24 Ca -0.02 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3kdc s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3kdc s LEU 24 CO 0.02 -1.26 0.12 -0.62 0.23 0.00 0.00 176.35 174.84 3kdc s ASP 25 N 3.39 4.15 0.30 2.29 -1.08 -0.38 -4.78 116.67 120.56 3kdc s ASP 25 Ca 0.59 -1.99 0.25 0.00 -0.52 0.00 0.00 52.55 50.88 3kdc s ASP 25 Cb -0.15 -1.10 1.00 0.00 -1.46 0.00 0.00 42.92 41.20 3kdc s ASP 25 CO 0.28 -0.37 1.76 0.71 0.52 0.00 0.00 175.17 178.07 3kdc h THR 26 N 6.26 0.00 -0.00 1.71 1.35 -1.93 -2.66 112.91 117.63 3kdc h THR 26 Ca -0.09 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3kdc h THR 26 Cb 1.00 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3kdc h THR 26 CO 0.49 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.23 3kdc n GLY 27 N 0.24 -1.42 3.67 5.82 0.00 -1.26 -4.80 105.19 107.45 3kdc n GLY 27 Ca 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.99 3.60 0.27 4.61 0.00 -1.00 -4.97 121.76 121.28 3kdc s ALA 28 Ca 0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3kdc s ALA 28 Cb 0.19 -2.39 0.37 0.00 0.00 0.00 0.00 23.12 21.29 3kdc s ALA 28 CO 0.58 -0.17 1.76 -0.44 0.00 0.00 0.00 175.76 177.49 3kdc h ASP 29 N 7.35 0.69 -1.87 0.00 5.19 -1.87 -0.20 116.42 125.72 3kdc h ASP 29 Ca -0.38 -0.18 -0.60 0.00 -0.62 0.00 0.00 57.03 55.25 3kdc h ASP 29 Cb 1.17 -0.18 -0.13 0.00 0.18 0.00 0.00 39.33 40.36 3kdc h ASP 29 CO 0.69 0.79 -0.58 -1.81 -3.12 0.00 0.00 179.24 175.21 3kdc s ASP 30 N -6.69 3.52 -0.24 6.45 1.01 -1.26 -2.71 116.67 116.75 3kdc s ASP 30 Ca -0.09 -1.45 -0.08 0.00 0.71 0.00 0.00 52.55 51.64 3kdc s ASP 30 Cb 0.14 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.94 3kdc s ASP 30 CO 0.80 -0.59 0.10 -0.89 0.21 0.00 0.00 175.17 174.80 3kdc s THR 31 N -2.91 4.75 -0.09 -1.27 2.01 -1.26 -2.95 115.64 113.92 3kdc s THR 31 Ca 0.29 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.29 3kdc s THR 31 Cb 0.08 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.39 3kdc s THR 31 CO 0.14 0.35 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.56 3kdc s VAL 32 N 1.24 1.59 0.07 3.82 1.01 -0.64 -0.23 120.40 127.27 3kdc s VAL 32 Ca 0.05 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3kdc s VAL 32 Cb -0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3kdc s VAL 32 CO 0.04 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 3kdc s ILE 33 N 0.61 1.71 1.03 2.22 -1.09 0.50 -0.29 121.20 125.89 3kdc s ILE 33 Ca -0.14 -1.37 -0.14 0.00 -2.23 0.00 0.00 60.65 56.77 3kdc s ILE 33 Cb -0.16 -1.52 0.12 0.00 -1.58 0.00 0.00 42.46 39.32 3kdc s ILE 33 CO 0.04 0.09 0.57 -1.84 -1.23 0.00 0.00 174.94 172.58 3kdc n GLU 34 N 1.49 -1.03 -1.69 2.79 0.28 -1.26 -1.98 120.64 119.25 3kdc n GLU 34 Ca -0.18 -0.26 -0.56 0.00 -0.16 0.00 0.00 57.16 56.00 3kdc n GLU 34 Cb 0.53 -1.98 -0.07 0.00 1.43 0.00 0.00 31.44 31.35 3kdc n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3kdc n GLU 35 N -2.89 1.18 -3.57 3.44 4.07 -1.25 -4.60 120.64 117.02 3kdc n GLU 35 Ca 0.06 0.43 -0.09 0.00 -0.06 0.00 0.00 57.16 57.49 3kdc n GLU 35 Cb 0.55 -2.11 -0.02 0.00 -0.06 0.00 0.00 31.44 29.80 3kdc n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kdc s MET 36 N 2.91 1.31 -0.21 5.31 0.23 -1.26 -5.08 119.30 122.51 3kdc s MET 36 Ca 0.95 -0.58 -0.21 0.00 -1.03 0.00 0.00 55.69 54.83 3kdc s MET 36 Cb -1.03 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 32.78 3kdc s MET 36 CO 0.61 -0.58 0.63 -1.12 -2.03 0.00 0.00 175.02 172.53 3kdc s SER 37 N -2.76 6.66 0.09 -1.18 0.01 -1.26 -5.06 113.70 110.19 3kdc s SER 37 Ca 0.05 0.80 0.09 0.00 1.31 0.00 0.00 55.95 58.20 3kdc s SER 37 Cb -0.02 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3kdc s SER 37 CO -0.06 -0.29 -0.23 -0.76 0.41 0.00 0.00 173.24 172.31 3kdc s LEU 38 N 2.03 2.25 0.65 2.44 1.43 -1.26 -4.97 118.68 121.25 3kdc s LEU 38 Ca 0.28 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 3kdc s LEU 38 Cb -0.16 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3kdc s LEU 38 CO 0.10 0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 3kdc s PRO 39 N -1.66 2.95 0.49 1.29 0.04 -1.26 -4.94 135.00 131.90 3kdc s PRO 39 Ca 0.09 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.41 3kdc s PRO 39 Cb -0.10 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3kdc s PRO 39 CO 0.04 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.37 3kdc n GLY 40 N -0.82 -2.20 3.88 0.56 0.00 -1.26 -4.95 105.19 100.39 3kdc n GLY 40 Ca 0.10 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 3kdc n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdc s ARG 41 N -0.23 3.76 0.30 1.61 0.52 -1.26 -5.11 118.95 118.55 3kdc s ARG 41 Ca 0.00 0.30 0.10 0.00 -0.52 0.00 0.00 55.73 55.62 3kdc s ARG 41 Cb 0.00 -2.53 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 3kdc s ARG 41 CO 0.00 0.14 -0.14 1.67 0.02 0.00 0.00 175.30 176.99 3kdc s TRP 42 N -2.11 2.28 0.18 -0.53 1.48 -1.26 -4.61 118.94 114.35 3kdc s TRP 42 Ca 0.48 -0.45 0.05 0.00 -1.06 0.00 0.00 56.10 55.13 3kdc s TRP 42 Cb -0.11 -1.15 -0.05 0.00 -1.16 0.00 0.00 33.47 31.00 3kdc s TRP 42 CO 0.27 0.60 -0.10 -1.59 -4.06 0.00 0.00 176.95 172.08 3kdc s LYS 43 N -3.58 1.17 0.41 3.25 -2.85 -0.80 -4.91 119.74 112.44 3kdc s LYS 43 Ca 0.31 -1.52 -0.23 0.00 -1.00 0.00 0.00 55.97 53.52 3kdc s LYS 43 Cb -0.01 -0.75 -0.09 0.00 -2.06 0.00 0.00 37.83 34.92 3kdc s LYS 43 CO 0.15 0.08 1.02 -1.25 0.10 0.00 0.00 175.35 175.45 3kdc s PRO 44 N -3.74 4.18 -0.16 1.78 0.04 -1.26 -1.23 135.00 134.61 3kdc s PRO 44 Ca 0.20 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 3kdc s PRO 44 Cb 0.02 -2.46 0.05 0.00 0.04 0.00 0.00 34.50 32.15 3kdc s PRO 44 CO 0.03 -0.11 0.39 0.21 0.04 0.00 0.00 177.00 177.56 3kdc s LYS 45 N -2.63 0.41 -0.13 4.56 2.47 -1.12 -4.86 119.74 118.44 3kdc s LYS 45 Ca 0.59 0.67 -0.01 0.00 -1.56 0.00 0.00 55.97 55.66 3kdc s LYS 45 Cb -0.19 0.07 -0.02 0.00 -1.46 0.00 0.00 37.83 36.23 3kdc s LYS 45 CO 0.24 -0.12 -0.10 -1.64 0.16 0.00 0.00 175.35 173.89 3kdc s MET 46 N 0.90 3.43 -0.02 4.03 -1.94 -1.26 -0.92 119.30 123.52 3kdc s MET 46 Ca -0.06 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 3kdc s MET 46 Cb -0.06 -2.70 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 3kdc s MET 46 CO -0.07 0.25 -0.20 0.96 -0.01 0.00 0.00 175.02 175.94 3kdc s ILE 47 N 0.29 1.62 -0.22 2.53 -4.36 -0.93 -4.98 121.20 115.14 3kdc s ILE 47 Ca -0.08 -0.86 -0.07 0.00 -0.26 0.00 0.00 60.65 59.38 3kdc s ILE 47 Cb -0.15 -1.35 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 3kdc s ILE 47 CO 0.05 0.46 0.06 -0.83 0.24 0.00 0.00 174.94 174.92 3kdc s GLY 48 N -0.37 1.81 0.00 6.27 0.00 -1.26 -2.04 107.32 111.73 3kdc s GLY 48 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3kdc s GLY 48 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 3kdc n GLY 49 N 4.35 6.28 3.71 0.20 0.00 0.12 -4.98 105.19 114.87 3kdc n GLY 49 Ca -0.16 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 3kdc n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kdc s ILE 50 N 0.37 4.48 0.00 -0.61 1.10 -1.26 -2.93 121.20 122.35 3kdc s ILE 50 Ca 0.00 1.79 0.00 0.00 -0.51 0.00 0.00 60.65 61.93 3kdc s ILE 50 Cb 0.00 -4.15 0.00 0.00 0.15 0.00 0.00 42.46 38.46 3kdc s ILE 50 CO 0.00 0.14 0.00 0.61 -2.11 0.00 0.00 174.94 173.58 3kdc n GLY 51 N 3.01 3.14 0.00 1.50 0.00 -1.26 -4.98 105.19 106.60 3kdc n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.60 0.70 3.69 -0.02 0.00 -1.15 -5.10 105.19 102.71 3kdc n GLY 52 Ca 0.00 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.07 3.11 0.09 1.61 0.40 -1.26 0.13 117.98 118.99 3kdc s PHE 53 Ca 0.00 0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 3kdc s PHE 53 Cb 0.00 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 3kdc s PHE 53 CO 0.00 0.47 -0.17 0.96 0.70 0.00 0.00 175.22 177.18 3kdc s ILE 54 N -1.08 1.41 0.09 0.64 -4.36 -0.86 -4.99 121.20 112.06 3kdc s ILE 54 Ca 0.19 -1.47 -0.25 0.00 -0.26 0.00 0.00 60.65 58.86 3kdc s ILE 54 Cb -0.12 -1.35 -0.06 0.00 1.25 0.00 0.00 42.46 42.18 3kdc s ILE 54 CO 0.10 -0.18 0.77 -0.54 0.24 0.00 0.00 174.94 175.32 3kdc s LYS 55 N -1.95 4.52 0.19 0.37 1.02 -1.26 -2.19 119.74 120.43 3kdc s LYS 55 Ca 0.03 1.10 0.03 0.00 0.02 0.00 0.00 55.97 57.15 3kdc s LYS 55 Cb -0.09 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 3kdc s LYS 55 CO 0.03 0.40 -0.02 0.14 -0.92 0.00 0.00 175.35 174.99 3kdc s VAL 56 N -0.50 0.93 -0.23 3.17 -7.23 -0.09 -4.54 120.40 111.91 3kdc s VAL 56 Ca 0.37 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 3kdc s VAL 56 Cb -0.21 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3kdc s VAL 56 CO 0.24 -0.45 0.18 -0.13 -0.31 0.00 0.00 175.10 174.63 3kdc s ARG 57 N -3.86 4.11 -0.31 4.82 0.52 0.88 -2.77 118.95 122.34 3kdc s ARG 57 Ca 0.25 -0.21 -0.14 0.00 -0.52 0.00 0.00 55.73 55.11 3kdc s ARG 57 Cb 0.05 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 3kdc s ARG 57 CO 0.05 0.11 0.34 -1.14 0.02 0.00 0.00 175.30 174.68 3kdc s GLN 58 N 0.92 3.74 -0.20 3.54 0.74 -0.36 -0.30 119.66 127.74 3kdc s GLN 58 Ca 0.09 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 3kdc s GLN 58 Cb -0.13 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 3kdc s GLN 58 CO 0.03 -0.41 -0.03 0.71 -0.55 0.00 0.00 175.29 175.04 3kdc s TYR 59 N 1.99 2.98 0.23 1.67 1.51 -0.59 -1.89 117.35 123.25 3kdc s TYR 59 Ca 0.12 -0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 3kdc s TYR 59 Cb -0.16 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3kdc s TYR 59 CO 0.11 -0.34 0.44 -0.51 -1.11 0.00 0.00 175.55 174.14 3kdc s ASP 60 N 1.07 6.40 -1.30 2.29 1.01 -1.26 -0.82 116.67 124.05 3kdc s ASP 60 Ca 0.01 0.49 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 3kdc s ASP 60 Cb -0.15 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.75 3kdc s ASP 60 CO 0.00 -0.09 0.88 1.67 0.21 0.00 0.00 175.17 177.84 3kdc n GLN 61 N -0.75 -5.83 -3.42 8.23 7.27 -1.12 -4.89 117.38 116.86 3kdc n GLN 61 Ca -0.04 0.71 -0.37 0.00 0.07 0.00 0.00 57.00 57.37 3kdc n GLN 61 Cb 0.54 -5.50 -0.06 0.00 2.41 0.00 0.00 30.24 27.62 3kdc n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3kdc s ILE 62 N -3.50 5.22 -0.06 1.69 -1.09 0.73 -4.72 121.20 119.48 3kdc s ILE 62 Ca 0.13 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.03 3kdc s ILE 62 Cb -0.06 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 3kdc s ILE 62 CO 0.78 0.37 1.25 -0.63 -1.23 0.00 0.00 174.94 175.48 3kdc s ILE 63 N 0.41 4.17 -0.08 2.92 1.01 -1.26 -1.92 121.20 126.45 3kdc s ILE 63 Ca 0.22 1.49 -0.05 0.00 0.00 0.00 0.00 60.65 62.31 3kdc s ILE 63 Cb -0.14 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.40 3kdc s ILE 63 CO 0.08 -0.02 0.20 -0.51 0.00 0.00 0.00 174.94 174.68 3kdc s ILE 64 N 2.46 -0.03 -0.15 2.92 2.07 0.04 -4.49 121.20 124.03 3kdc s ILE 64 Ca 0.57 0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.85 3kdc s ILE 64 Cb -0.25 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 3kdc s ILE 64 CO 0.22 0.04 0.03 -0.70 -1.91 0.00 0.00 174.94 172.61 3kdc s GLU 65 N 0.76 3.63 -0.19 3.50 2.12 -0.01 -0.21 118.70 128.30 3kdc s GLU 65 Ca -0.05 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 3kdc s GLU 65 Cb -0.07 -3.04 0.05 0.00 0.26 0.00 0.00 34.13 31.33 3kdc s GLU 65 CO -0.04 0.41 -0.03 0.42 -0.54 0.00 0.00 175.26 175.48 3kdc s ILE 66 N -0.04 1.02 -1.59 -3.70 1.01 0.88 -0.09 121.20 118.69 3kdc s ILE 66 Ca 0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 3kdc s ILE 66 Cb -0.12 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.15 3kdc s ILE 66 CO 0.02 -0.02 0.89 0.00 0.00 0.00 0.00 174.94 175.83 3kdc n GLY 68 N -1.55 1.51 3.70 0.00 0.00 -1.26 -5.02 105.19 102.57 3kdc n GLY 68 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.41 3.40 -0.09 1.61 4.02 0.08 -5.06 115.29 115.83 3kdc s HIS 69 Ca 0.00 0.47 -0.27 0.00 1.02 0.00 0.00 55.06 56.28 3kdc s HIS 69 Cb 0.00 -2.34 -0.02 0.00 -1.02 0.00 0.00 32.58 29.19 3kdc s HIS 69 CO 0.00 0.14 0.87 0.21 1.02 0.00 0.00 174.74 176.98 3kdc s LYS 70 N 0.81 4.42 0.10 1.40 2.47 -1.26 -0.08 119.74 127.59 3kdc s LYS 70 Ca 0.14 1.16 0.05 0.00 -1.56 0.00 0.00 55.97 55.76 3kdc s LYS 70 Cb -0.13 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 3kdc s LYS 70 CO 0.04 -0.16 -0.14 0.00 0.16 0.00 0.00 175.35 175.25 3kdc s ALA 71 N 1.52 1.31 -0.16 3.13 0.00 0.70 -4.85 121.76 123.41 3kdc s ALA 71 Ca 0.43 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.21 3kdc s ALA 71 Cb -0.18 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.92 3kdc s ALA 71 CO 0.19 0.12 0.06 0.42 0.00 0.00 0.00 175.76 176.54 3kdc s ILE 72 N -1.77 0.21 0.00 0.00 1.01 -1.26 -0.78 121.20 118.62 3kdc s ILE 72 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3kdc s ILE 72 Cb -0.07 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3kdc s ILE 72 CO 0.02 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.40 3kdc n GLY 73 N 5.17 1.67 3.71 6.18 0.00 -0.81 -4.80 105.19 116.32 3kdc n GLY 73 Ca -0.08 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.52 4.77 -0.15 2.61 2.01 -1.26 -0.19 115.64 120.91 3kdc s THR 74 Ca 0.00 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.01 3kdc s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.25 3kdc s THR 74 CO 0.00 0.13 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.18 3kdc s VAL 75 N 1.16 1.93 -0.01 3.82 1.01 -0.00 -4.46 120.40 123.85 3kdc s VAL 75 Ca 0.52 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3kdc s VAL 75 Cb -0.22 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 3kdc s VAL 75 CO 0.27 0.52 0.45 -0.76 0.00 0.00 0.00 175.10 175.58 3kdc s LEU 76 N 1.04 4.45 -0.13 3.92 1.43 0.68 -1.54 118.68 128.54 3kdc s LEU 76 Ca -0.02 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3kdc s LEU 76 Cb -0.14 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.42 3kdc s LEU 76 CO -0.06 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 175.87 3kdc s VAL 77 N -0.74 1.97 -0.11 -1.59 1.01 0.59 -0.37 120.40 121.16 3kdc s VAL 77 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3kdc s VAL 77 Cb -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3kdc s VAL 77 CO 0.14 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3kdc n GLY 78 N 3.99 -0.91 2.13 4.51 0.00 -0.84 -0.08 105.19 113.99 3kdc n GLY 78 Ca -0.20 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 1.62 -2.59 1.61 -0.04 -1.26 -3.92 135.00 130.42 3kdc n PRO 79 Ca 0.00 -0.83 -0.40 0.00 -0.04 0.00 0.00 63.50 62.23 3kdc n PRO 79 Cb 0.00 -1.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 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 1.51 3.86 0.46 0.52 -1.32 -1.26 -4.96 115.64 114.44 3kdc s THR 80 Ca 0.52 1.76 0.27 0.00 -1.21 0.00 0.00 61.69 63.04 3kdc s THR 80 Cb 0.24 -4.12 0.30 0.00 -1.51 0.00 0.00 72.50 67.41 3kdc s THR 80 CO -0.00 0.38 2.11 -0.65 -2.21 0.00 0.00 174.62 174.24 3kdc h PRO 81 N 4.43 0.00 -2.65 7.08 0.11 -1.98 -3.44 132.00 135.55 3kdc h PRO 81 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3kdc h PRO 81 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 3kdc h PRO 81 CO 0.69 0.10 -0.12 0.54 -0.21 0.00 0.00 178.00 179.00 3kdc s VAL 82 N -4.32 0.03 0.19 3.15 0.11 -1.26 -5.11 120.40 113.19 3kdc s VAL 82 Ca -0.03 -0.25 -0.32 0.00 -2.93 0.00 0.00 61.98 58.45 3kdc s VAL 82 Cb 0.14 -0.74 -0.11 0.00 -1.53 0.00 0.00 36.38 34.14 3kdc s VAL 82 CO 0.58 -0.14 1.65 0.20 -3.33 0.00 0.00 175.10 174.07 3kdc s ASN 83 N -1.00 6.47 -0.08 3.54 0.01 -1.26 -4.82 114.94 117.80 3kdc s ASN 83 Ca -0.10 2.76 0.03 0.00 -0.71 0.00 0.00 52.86 54.84 3kdc s ASN 83 Cb -0.03 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.04 3kdc s ASN 83 CO 0.05 -0.91 -0.15 -0.63 -1.51 0.00 0.00 177.10 173.96 3kdc s ILE 84 N 1.10 1.37 -0.40 0.60 1.01 0.61 -0.45 121.20 125.04 3kdc s ILE 84 Ca 0.72 -0.61 -0.14 0.00 0.00 0.00 0.00 60.65 60.62 3kdc s ILE 84 Cb -0.47 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 40.79 3kdc s ILE 84 CO 0.32 0.41 0.28 -0.63 0.00 0.00 0.00 174.94 175.32 3kdc s ILE 85 N 0.65 5.07 0.39 2.92 -1.09 0.69 -1.62 121.20 128.22 3kdc s ILE 85 Ca -0.14 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 3kdc s ILE 85 Cb -0.16 -3.83 0.08 0.00 -1.58 0.00 0.00 42.46 36.96 3kdc s ILE 85 CO 0.04 -0.30 0.54 0.61 -1.23 0.00 0.00 174.94 174.60 3kdc n GLY 86 N 5.12 0.80 0.26 6.18 0.00 -1.15 -1.25 105.19 115.15 3kdc n GLY 86 Ca -0.11 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -0.57 1.61 3.08 -1.02 -1.74 114.38 115.73 3kdc h ARG 87 Ca -0.18 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.92 3kdc h ARG 87 Cb 0.67 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3kdc h ARG 87 CO 0.20 0.06 0.38 -2.95 -1.07 0.00 0.00 179.97 176.59 3kdc h ASN 88 N 0.00 0.53 0.00 7.04 -1.07 -1.79 -1.62 115.58 118.67 3kdc h ASN 88 Ca -0.00 -0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.18 3kdc h ASN 88 Cb 0.13 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 3kdc h ASN 88 CO 0.01 0.36 -2.12 0.18 0.07 0.00 0.00 177.43 175.93 3kdc n LEU 89 N -4.47 0.00 -0.22 6.14 4.77 -0.94 -4.02 117.00 118.26 3kdc n LEU 89 Ca 0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 3kdc n LEU 89 Cb 0.18 0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 3kdc n LEU 89 CO 0.35 0.25 1.08 -0.07 -1.33 0.00 0.00 177.39 177.67 3kdc h LEU 90 N 0.00 0.93 -1.03 2.23 3.38 -1.20 -2.08 115.31 117.54 3kdc h LEU 90 Ca -0.27 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3kdc h LEU 90 Cb 1.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 3kdc h LEU 90 CO 0.01 0.80 -0.18 0.71 0.09 0.00 0.00 178.44 179.87 3kdc h THR 91 N 1.01 1.25 -0.47 0.22 1.35 -1.49 0.81 112.91 115.59 3kdc h THR 91 Ca 0.24 -1.13 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 3kdc h THR 91 Cb 0.14 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 3kdc h THR 91 CO -0.03 0.36 0.03 1.56 -0.25 0.00 0.00 175.52 177.19 3kdc h GLN 92 N 0.44 0.75 -0.31 4.72 4.20 -1.53 -2.55 115.11 120.83 3kdc h GLN 92 Ca 0.07 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3kdc h GLN 92 Cb 0.57 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3kdc h GLN 92 CO 0.04 0.74 0.00 0.44 -0.67 0.00 0.00 178.83 179.38 3kdc n ILE 93 N -4.24 0.40 -2.33 2.54 -5.35 -0.89 -4.93 119.36 104.56 3kdc n ILE 93 Ca 0.03 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.95 3kdc n ILE 93 Cb 0.27 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.59 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 1.20 0.22 3.73 3.28 0.00 -0.96 -5.01 105.19 107.65 3kdc n GLY 94 Ca 0.16 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 0.05 1.03 -0.13 0.00 -4.23 -1.26 -4.63 115.64 106.46 3kdc s THR 96 Ca 0.43 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3kdc s THR 96 Cb -0.22 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 3kdc s THR 96 CO 0.26 -0.23 0.09 -0.76 -0.54 0.00 0.00 174.62 173.45 3kdc s LEU 97 N -3.34 4.08 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.26 3kdc s LEU 97 Ca 0.31 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3kdc s LEU 97 Cb 0.06 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.30 3kdc s LEU 97 CO 0.11 0.33 -0.03 0.20 0.23 0.00 0.00 176.35 177.19 3kdc s ASN 98 N -0.58 0.54 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.77 3kdc s ASN 98 Ca 0.12 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 3kdc s ASN 98 Cb -0.12 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 3kdc s ASN 98 CO 0.02 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.75