#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4k s GLN 2 N 0.00 3.07 -0.25 0.54 0.74 -1.26 -5.10 119.66 117.41 1d4k s GLN 2 Ca 0.00 -0.82 -0.08 0.00 0.05 0.00 0.00 55.36 54.51 1d4k s GLN 2 Cb 0.00 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 1d4k s GLN 2 CO 0.00 -0.29 0.10 0.42 -0.55 0.00 0.00 175.29 174.96 1d4k s ILE 3 N 1.38 4.61 0.64 -2.34 1.01 -1.26 -5.10 121.20 120.15 1d4k s ILE 3 Ca 0.03 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1d4k s ILE 3 Cb -0.15 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.16 1d4k s ILE 3 CO -0.05 0.34 1.03 0.42 0.00 0.00 0.00 174.94 176.67 1d4k s THR 4 N 1.47 4.05 -0.24 2.92 -4.23 -1.26 -5.02 115.64 113.34 1d4k s THR 4 Ca 0.06 0.54 0.13 0.00 -1.18 0.00 0.00 61.69 61.24 1d4k s THR 4 Cb -0.15 -3.64 0.58 0.00 1.34 0.00 0.00 72.50 70.63 1d4k s THR 4 CO 0.05 -0.81 1.53 0.18 -0.54 0.00 0.00 174.62 175.03 1d4k n LEU 5 N -2.81 4.50 -0.33 4.79 4.77 -1.26 -4.58 117.00 122.08 1d4k n LEU 5 Ca 0.06 -3.24 -0.04 0.00 -0.03 0.00 0.00 56.01 52.76 1d4k n LEU 5 Cb 0.56 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1d4k n LEU 5 CO 0.57 0.84 1.16 -0.50 -1.33 0.00 0.00 177.39 178.13 1d4k h TRP 6 N 1.86 1.24 -1.98 -1.77 4.06 -2.06 -3.44 115.95 113.86 1d4k h TRP 6 Ca 0.11 -0.04 -0.59 0.00 2.06 0.00 0.00 58.89 60.43 1d4k h TRP 6 Cb 1.72 -0.39 -0.13 0.00 -1.00 0.00 0.00 29.16 29.35 1d4k h TRP 6 CO 0.81 0.86 -0.63 -1.59 -3.56 0.00 0.00 178.44 174.34 1d4k s LYS 7 N -5.80 1.84 0.22 0.49 0.00 -1.26 -5.10 119.74 110.13 1d4k s LYS 7 Ca -0.13 -2.01 -0.32 0.00 0.00 0.00 0.00 55.97 53.52 1d4k s LYS 7 Cb 0.17 -1.52 -0.13 0.00 0.00 0.00 0.00 37.83 36.35 1d4k s LYS 7 CO 0.83 -0.00 1.63 0.54 0.00 0.00 0.00 175.35 178.35 1d4k n ARG 8 N -0.85 2.55 -1.95 1.78 1.74 -1.26 -4.86 116.66 113.81 1d4k n ARG 8 Ca -0.05 0.91 -0.37 0.00 -0.77 0.00 0.00 57.85 57.57 1d4k n ARG 8 Cb 0.66 -2.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.35 1d4k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1d4k n PRO 9 N 3.28 2.17 -3.38 5.56 -0.04 -1.26 -4.94 135.00 136.39 1d4k n PRO 9 Ca 0.14 -2.56 -0.38 0.00 -0.04 0.00 0.00 63.50 60.66 1d4k n PRO 9 Cb 0.33 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 1d4k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4k s LEU 10 N 5.79 4.35 0.16 1.53 2.01 -1.26 -0.73 118.68 130.54 1d4k s LEU 10 Ca 0.59 0.87 0.01 0.00 0.01 0.00 0.00 54.13 55.61 1d4k s LEU 10 Cb 0.06 -2.66 -0.04 0.00 0.01 0.00 0.00 46.19 43.56 1d4k s LEU 10 CO 0.09 0.12 0.01 0.68 1.01 0.00 0.00 176.35 178.25 1d4k s VAL 11 N 0.02 0.58 -0.04 -1.59 -7.23 0.59 -4.92 120.40 107.81 1d4k s VAL 11 Ca 0.25 -1.96 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 1d4k s VAL 11 Cb -0.16 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1d4k s VAL 11 CO 0.11 -0.50 0.59 -0.89 -0.31 0.00 0.00 175.10 174.11 1d4k s THR 12 N -3.72 4.99 0.23 5.32 2.01 -1.26 -0.29 115.64 122.92 1d4k s THR 12 Ca 0.23 1.23 0.07 0.00 0.31 0.00 0.00 61.69 63.53 1d4k s THR 12 Cb 0.06 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1d4k s THR 12 CO 0.03 0.37 -0.11 0.27 -0.69 0.00 0.00 174.62 174.49 1d4k s ILE 13 N 0.16 1.68 -0.18 1.82 -4.36 0.11 -4.69 121.20 115.74 1d4k s ILE 13 Ca 0.31 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1d4k s ILE 13 Cb -0.17 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.39 1d4k s ILE 13 CO 0.16 -0.50 -0.13 -0.13 0.24 0.00 0.00 174.94 174.58 1d4k s ARG 14 N -3.68 2.22 -0.04 0.37 3.00 0.01 -0.16 118.95 120.68 1d4k s ARG 14 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 55.73 55.23 1d4k s ARG 14 Cb 0.01 -2.31 0.03 0.00 0.00 0.00 0.00 34.95 32.68 1d4k s ARG 14 CO 0.08 -0.34 0.04 -1.50 0.00 0.00 0.00 175.30 173.59 1d4k s ILE 15 N 1.42 -0.03 -1.38 1.52 2.07 -0.22 -1.48 121.20 123.10 1d4k s ILE 15 Ca 0.02 0.33 -0.06 0.00 -1.41 0.00 0.00 60.65 59.52 1d4k s ILE 15 Cb -0.15 -0.18 0.01 0.00 0.13 0.00 0.00 42.46 42.27 1d4k s ILE 15 CO -0.10 0.17 0.75 0.61 -1.91 0.00 0.00 174.94 174.46 1d4k n GLY 16 N 4.94 -0.43 2.25 1.50 0.00 -1.26 -2.16 105.19 110.04 1d4k n GLY 16 Ca -0.11 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d4k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4k n GLY 17 N -1.62 0.44 3.26 -0.02 0.00 -1.26 -5.02 105.19 100.96 1d4k n GLY 17 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1d4k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4k s GLN 18 N -0.35 1.84 -0.21 1.61 -0.21 -0.92 -5.12 119.66 116.31 1d4k s GLN 18 Ca 0.00 -0.83 -0.18 0.00 0.02 0.00 0.00 55.36 54.37 1d4k s GLN 18 Cb 0.00 -1.80 -0.03 0.00 1.00 0.00 0.00 33.01 32.18 1d4k s GLN 18 CO 0.00 0.49 0.48 -0.51 -2.12 0.00 0.00 175.29 173.63 1d4k s LEU 19 N -0.58 4.14 0.28 2.90 1.43 -1.26 -1.06 118.68 124.53 1d4k s LEU 19 Ca 0.09 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 1d4k s LEU 19 Cb -0.09 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1d4k s LEU 19 CO -0.01 -0.16 -0.03 -0.54 0.23 0.00 0.00 176.35 175.84 1d4k s LYS 20 N 1.62 1.54 -0.26 1.70 1.02 0.77 -4.94 119.74 121.20 1d4k s LYS 20 Ca 0.22 -1.80 -0.09 0.00 0.02 0.00 0.00 55.97 54.33 1d4k s LYS 20 Cb -0.15 -1.03 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1d4k s LYS 20 CO 0.09 -0.02 0.11 -2.00 -0.92 0.00 0.00 175.35 172.61 1d4k s GLU 21 N -3.78 3.74 0.11 1.68 2.56 -1.26 0.07 118.70 121.83 1d4k s GLU 21 Ca 0.30 -0.43 0.07 0.00 0.00 0.00 0.00 54.97 54.91 1d4k s GLU 21 Cb 0.05 -3.44 -0.04 0.00 2.00 0.00 0.00 34.13 32.70 1d4k s GLU 21 CO 0.12 -0.19 -0.17 0.00 -0.56 0.00 0.00 175.26 174.46 1d4k s ALA 22 N 1.66 1.63 -0.19 6.30 0.00 0.60 -4.35 121.76 127.41 1d4k s ALA 22 Ca 0.07 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1d4k s ALA 22 Cb -0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1d4k s ALA 22 CO 0.06 0.22 0.48 -1.17 0.00 0.00 0.00 175.76 175.35 1d4k s LEU 23 N -2.18 4.16 -0.43 0.00 2.96 0.28 -0.30 118.68 123.16 1d4k s LEU 23 Ca 0.07 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.34 1d4k s LEU 23 Cb -0.08 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1d4k s LEU 23 CO 0.04 -0.13 1.39 -0.76 -1.32 0.00 0.00 176.35 175.56 1d4k s LEU 24 N 1.45 3.57 -0.33 -0.68 1.43 0.10 -0.96 118.68 123.26 1d4k s LEU 24 Ca 0.23 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1d4k s LEU 24 Cb -0.15 -3.50 0.08 0.00 0.03 0.00 0.00 46.19 42.65 1d4k s LEU 24 CO 0.09 -1.45 0.04 -0.62 0.23 0.00 0.00 176.35 174.65 1d4k s ASP 25 N 3.85 4.85 0.21 2.29 -1.08 -0.45 -4.79 116.67 121.55 1d4k s ASP 25 Ca 0.59 -1.75 0.24 0.00 -0.52 0.00 0.00 52.55 51.11 1d4k s ASP 25 Cb -0.13 -1.68 0.91 0.00 -1.46 0.00 0.00 42.92 40.56 1d4k s ASP 25 CO 0.32 -0.35 1.73 0.35 0.52 0.00 0.00 175.17 177.74 1d4k n THR 26 N 4.46 0.70 1.28 1.71 -2.24 -1.26 -2.66 114.28 116.27 1d4k n THR 26 Ca -0.05 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1d4k n THR 26 Cb 0.42 -0.89 0.37 0.00 -2.10 0.00 0.00 70.33 68.13 1d4k n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4k n GLY 27 N 0.58 -0.33 3.63 3.38 0.00 -1.26 -4.84 105.19 106.34 1d4k n GLY 27 Ca 0.04 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1d4k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4k s ALA 28 N -2.35 3.54 0.16 4.61 0.00 -1.09 -4.98 121.76 121.66 1d4k s ALA 28 Ca 0.28 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1d4k s ALA 28 Cb 0.20 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 1d4k s ALA 28 CO 0.47 -0.27 1.53 -0.44 0.00 0.00 0.00 175.76 177.05 1d4k h ASP 29 N 7.71 1.03 -0.96 0.00 3.32 -1.88 -0.65 116.42 125.00 1d4k h ASP 29 Ca -0.37 -0.41 -0.61 0.00 0.02 0.00 0.00 57.03 55.66 1d4k h ASP 29 Cb 1.17 -0.29 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 1d4k h ASP 29 CO 0.63 1.22 -0.45 -1.81 -1.72 0.00 0.00 179.24 177.11 1d4k s ASP 30 N -6.75 4.38 -0.22 6.45 1.01 -1.26 -3.09 116.67 117.19 1d4k s ASP 30 Ca -0.11 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.77 1d4k s ASP 30 Cb 0.12 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 44.07 1d4k s ASP 30 CO 0.88 -0.79 0.09 -0.89 0.21 0.00 0.00 175.17 174.66 1d4k s THR 31 N -2.73 4.73 -0.19 -1.27 2.01 -1.26 -3.23 115.64 113.70 1d4k s THR 31 Ca 0.29 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1d4k s THR 31 Cb 0.02 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1d4k s THR 31 CO 0.17 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.62 1d4k s VAL 32 N 1.00 2.02 -0.00 3.82 1.01 -0.02 -0.90 120.40 127.33 1d4k s VAL 32 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1d4k s VAL 32 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1d4k s VAL 32 CO 0.03 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.94 1d4k s ILE 33 N 1.28 4.33 0.69 2.22 -1.09 0.54 0.01 121.20 129.18 1d4k s ILE 33 Ca 0.02 -0.54 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 1d4k s ILE 33 Cb -0.14 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1d4k s ILE 33 CO -0.11 0.37 1.26 -1.84 -1.23 0.00 0.00 174.94 173.39 1d4k n GLU 34 N 1.33 0.87 -1.47 2.79 0.28 -1.26 -2.63 120.64 120.55 1d4k n GLU 34 Ca -0.14 0.36 -0.59 0.00 -0.16 0.00 0.00 57.16 56.63 1d4k n GLU 34 Cb 0.53 -2.50 -0.10 0.00 1.43 0.00 0.00 31.44 30.80 1d4k n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1d4k n GLU 35 N -2.23 0.49 -3.80 3.44 4.07 -1.12 -4.71 120.64 116.78 1d4k n GLU 35 Ca 0.15 0.15 -0.12 0.00 -0.06 0.00 0.00 57.16 57.28 1d4k n GLU 35 Cb 0.49 -1.86 -0.10 0.00 -0.06 0.00 0.00 31.44 29.91 1d4k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4k s MET 36 N 5.08 0.48 -1.23 5.31 0.23 -1.26 -5.06 119.30 122.86 1d4k s MET 36 Ca 1.11 -0.07 -0.20 0.00 -1.03 0.00 0.00 55.69 55.50 1d4k s MET 36 Cb -1.26 0.21 0.01 0.00 -1.53 0.00 0.00 34.83 32.27 1d4k s MET 36 CO 0.64 -0.11 1.79 0.54 -2.03 0.00 0.00 175.02 175.85 1d4k s ASN 37 N -0.84 6.15 -0.01 -1.18 4.22 -1.26 -4.97 114.94 117.05 1d4k s ASN 37 Ca -0.09 -2.05 -0.23 0.00 -2.14 0.00 0.00 52.86 48.35 1d4k s ASN 37 Cb -0.05 -2.58 -0.05 0.00 1.28 0.00 0.00 41.25 39.85 1d4k s ASN 37 CO 0.02 -1.89 0.69 -0.76 -2.04 0.00 0.00 177.10 173.12 1d4k s LEU 38 N 6.77 4.39 0.52 3.54 1.43 -1.26 -5.06 118.68 129.01 1d4k s LEU 38 Ca 0.59 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.79 1d4k s LEU 38 Cb 0.02 -3.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.07 1d4k s LEU 38 CO 0.08 -0.00 1.00 -2.16 0.23 0.00 0.00 176.35 175.49 1d4k s PRO 39 N 0.20 3.87 0.00 1.29 0.04 -1.26 -4.96 135.00 134.17 1d4k s PRO 39 Ca 0.36 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1d4k s PRO 39 Cb -0.19 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1d4k s PRO 39 CO 0.20 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1d4k n GLY 40 N -1.28 1.24 3.84 0.56 0.00 -1.26 -5.04 105.19 103.24 1d4k n GLY 40 Ca 0.07 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 1d4k n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4k s LYS 41 N -1.32 4.09 0.20 1.61 3.01 -1.26 -5.09 119.74 120.98 1d4k s LYS 41 Ca 0.00 0.71 0.01 0.00 -1.01 0.00 0.00 55.97 55.67 1d4k s LYS 41 Cb 0.00 -2.69 -0.05 0.00 -1.01 0.00 0.00 37.83 34.09 1d4k s LYS 41 CO 0.00 0.30 0.07 1.67 0.51 0.00 0.00 175.35 177.90 1d4k s TRP 42 N -1.72 1.25 -0.08 3.18 1.48 -1.26 -4.67 118.94 117.12 1d4k s TRP 42 Ca 0.47 -1.18 0.03 0.00 -1.06 0.00 0.00 56.10 54.36 1d4k s TRP 42 Cb -0.13 -0.70 0.01 0.00 -1.16 0.00 0.00 33.47 31.49 1d4k s TRP 42 CO 0.19 -0.39 -0.15 0.15 -4.06 0.00 0.00 176.95 172.69 1d4k s LYS 43 N -4.03 2.06 0.47 3.25 -0.14 -0.71 -4.88 119.74 115.77 1d4k s LYS 43 Ca 0.32 -0.54 -0.24 0.00 -1.36 0.00 0.00 55.97 54.15 1d4k s LYS 43 Cb 0.07 -1.65 -0.07 0.00 -1.68 0.00 0.00 37.83 34.50 1d4k s LYS 43 CO 0.08 0.06 1.31 -1.25 -0.76 0.00 0.00 175.35 174.80 1d4k s PRO 44 N 0.59 3.58 0.06 -1.68 0.04 -1.26 0.07 135.00 136.40 1d4k s PRO 44 Ca -0.16 2.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1d4k s PRO 44 Cb -0.16 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1d4k s PRO 44 CO 0.05 -0.81 0.43 0.21 0.04 0.00 0.00 177.00 176.92 1d4k s LYS 45 N -2.61 0.97 -0.16 4.56 2.20 -0.09 -4.85 119.74 119.76 1d4k s LYS 45 Ca 0.64 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1d4k s LYS 45 Cb -0.38 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1d4k s LYS 45 CO 0.46 -0.35 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.32 1d4k s MET 46 N -2.73 2.39 -0.09 4.03 -1.94 -1.26 0.13 119.30 119.83 1d4k s MET 46 Ca -0.04 -0.65 -0.00 0.00 -1.71 0.00 0.00 55.69 53.29 1d4k s MET 46 Cb -0.00 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1d4k s MET 46 CO -0.04 -0.26 -0.06 0.96 -0.01 0.00 0.00 175.02 175.61 1d4k s ILE 47 N 1.44 3.73 -0.13 2.53 -4.36 -1.00 -4.94 121.20 118.48 1d4k s ILE 47 Ca 0.04 -0.45 -0.04 0.00 -0.26 0.00 0.00 60.65 59.93 1d4k s ILE 47 Cb -0.13 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 1d4k s ILE 47 CO -0.11 0.57 0.03 -0.83 0.24 0.00 0.00 174.94 174.85 1d4k s GLY 48 N -0.50 1.90 0.00 6.27 0.00 -1.26 -2.38 107.32 111.34 1d4k s GLY 48 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1d4k s GLY 48 CO 0.02 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.43 1d4k n GLY 49 N 2.68 5.34 3.73 0.20 0.00 -0.03 -4.99 105.19 112.13 1d4k n GLY 49 Ca -0.18 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1d4k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4k s ILE 50 N 3.17 4.99 0.00 -0.61 -1.09 -1.26 -3.93 121.20 122.47 1d4k s ILE 50 Ca 0.00 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 1d4k s ILE 50 Cb 0.00 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1d4k s ILE 50 CO 0.00 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1d4k n GLY 51 N 2.84 2.74 0.00 6.18 0.00 -1.26 -4.95 105.19 110.75 1d4k n GLY 51 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1d4k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4k n GLY 52 N 0.00 -0.53 3.57 -0.02 0.00 -1.25 -5.15 105.19 101.81 1d4k n GLY 52 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1d4k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4k s PHE 53 N -3.83 2.70 0.03 1.61 0.40 -1.26 -0.85 117.98 116.79 1d4k s PHE 53 Ca 0.00 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1d4k s PHE 53 Cb 0.00 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1d4k s PHE 53 CO 0.00 0.45 -0.08 0.96 0.70 0.00 0.00 175.22 177.24 1d4k s ILE 54 N -1.34 0.61 0.03 0.64 -4.36 -1.00 -4.98 121.20 110.80 1d4k s ILE 54 Ca 0.22 -0.90 -0.22 0.00 -0.26 0.00 0.00 60.65 59.49 1d4k s ILE 54 Cb -0.10 -0.63 -0.06 0.00 1.25 0.00 0.00 42.46 42.92 1d4k s ILE 54 CO 0.14 -0.22 0.66 -0.75 0.24 0.00 0.00 174.94 175.01 1d4k s LYS 55 N -1.23 4.38 0.28 0.37 2.20 -1.26 -2.36 119.74 122.12 1d4k s LYS 55 Ca -0.06 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 1d4k s LYS 55 Cb -0.08 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1d4k s LYS 55 CO 0.00 0.37 0.08 0.14 -0.36 0.00 0.00 175.35 175.59 1d4k s VAL 56 N -0.27 0.76 -0.17 4.02 -7.23 0.12 -4.58 120.40 113.04 1d4k s VAL 56 Ca 0.34 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1d4k s VAL 56 Cb -0.19 -2.68 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 1d4k s VAL 56 CO 0.20 -0.01 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.77 1d4k s ARG 57 N -3.99 3.42 -0.32 4.82 0.52 -0.02 -0.91 118.95 122.48 1d4k s ARG 57 Ca 0.37 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 54.77 1d4k s ARG 57 Cb 0.08 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 1d4k s ARG 57 CO 0.14 0.04 0.51 -1.14 0.02 0.00 0.00 175.30 174.87 1d4k s GLN 58 N 0.83 3.79 -0.11 3.54 0.74 0.11 -1.04 119.66 127.52 1d4k s GLN 58 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.38 1d4k s GLN 58 Cb -0.15 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 1d4k s GLN 58 CO 0.01 -0.53 -0.06 0.71 -0.55 0.00 0.00 175.29 174.87 1d4k s TYR 59 N 2.36 2.97 0.21 1.67 2.02 -0.30 -1.74 117.35 124.55 1d4k s TYR 59 Ca 0.19 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.79 1d4k s TYR 59 Cb -0.15 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1d4k s TYR 59 CO 0.12 0.14 0.13 -0.51 -1.57 0.00 0.00 175.55 173.85 1d4k s ASP 60 N -0.22 5.33 -1.48 2.29 1.01 -1.26 -0.40 116.67 121.92 1d4k s ASP 60 Ca 0.03 -0.27 -0.11 0.00 0.71 0.00 0.00 52.55 52.92 1d4k s ASP 60 Cb -0.13 -1.31 0.07 0.00 1.01 0.00 0.00 42.92 42.56 1d4k s ASP 60 CO 0.03 0.02 0.94 0.00 0.21 0.00 0.00 175.17 176.37 1d4k n GLN 61 N -0.71 -5.55 -3.29 8.23 1.13 -1.17 -4.89 117.38 111.13 1d4k n GLN 61 Ca -0.08 0.61 -0.39 0.00 -1.94 0.00 0.00 57.00 55.20 1d4k n GLN 61 Cb 0.56 -5.45 -0.07 0.00 0.11 0.00 0.00 30.24 25.39 1d4k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1d4k s ILE 62 N -3.37 5.13 -0.07 5.09 -1.09 -0.25 -4.74 121.20 121.90 1d4k s ILE 62 Ca 0.54 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.52 1d4k s ILE 62 Cb -0.27 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1d4k s ILE 62 CO 0.82 0.19 1.24 -2.84 -1.23 0.00 0.00 174.94 173.13 1d4k s PRO 63 N 1.62 4.32 -0.09 2.79 0.02 -1.26 -1.97 135.00 140.42 1d4k s PRO 63 Ca 0.22 1.72 -0.00 0.00 0.02 0.00 0.00 61.00 62.96 1d4k s PRO 63 Cb -0.15 -3.60 0.02 0.00 0.02 0.00 0.00 34.50 30.79 1d4k s PRO 63 CO 0.09 -0.51 -0.06 0.08 -0.33 0.00 0.00 177.00 176.27 1d4k s VAL 64 N 2.48 0.83 -0.32 3.83 1.01 0.39 -4.42 120.40 124.20 1d4k s VAL 64 Ca 0.57 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1d4k s VAL 64 Cb -0.25 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1d4k s VAL 64 CO 0.21 0.33 0.39 -0.70 0.00 0.00 0.00 175.10 175.33 1d4k s GLU 65 N 1.58 3.75 -0.40 2.72 2.12 -0.55 -1.21 118.70 126.72 1d4k s GLU 65 Ca 0.01 -0.21 0.06 0.00 0.36 0.00 0.00 54.97 55.19 1d4k s GLU 65 Cb -0.13 -3.75 0.60 0.00 0.26 0.00 0.00 34.13 31.11 1d4k s GLU 65 CO -0.05 -0.44 1.75 -0.89 -0.54 0.00 0.00 175.26 175.08 1d4k n ILE 66 N 5.22 2.97 0.00 -3.70 5.41 -1.26 -0.81 119.36 127.20 1d4k n ILE 66 Ca -0.08 -2.30 0.00 0.00 1.00 0.00 0.00 62.75 61.37 1d4k n ILE 66 Cb 0.50 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1d4k n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1d4k n GLY 68 N -1.13 0.00 3.40 7.39 0.00 -1.26 -4.74 105.19 108.85 1d4k n GLY 68 Ca 0.50 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.13 1d4k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4k s HIS 69 N 0.00 3.20 -0.08 1.61 4.02 -1.26 -5.07 115.29 117.71 1d4k s HIS 69 Ca 0.00 -0.81 -0.30 0.00 1.02 0.00 0.00 55.06 54.98 1d4k s HIS 69 Cb 0.00 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.58 29.16 1d4k s HIS 69 CO 0.00 -0.56 1.23 0.15 1.02 0.00 0.00 174.74 176.58 1d4k s LYS 70 N 1.57 4.31 0.13 1.40 1.02 -1.26 -4.33 119.74 122.58 1d4k s LYS 70 Ca 0.03 1.68 0.01 0.00 0.02 0.00 0.00 55.97 57.71 1d4k s LYS 70 Cb -0.18 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 1d4k s LYS 70 CO 0.06 -0.53 -0.02 0.00 -0.92 0.00 0.00 175.35 173.94 1d4k s ALA 71 N 2.59 1.05 -0.18 5.17 0.00 -0.35 -4.90 121.76 125.15 1d4k s ALA 71 Ca 0.56 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1d4k s ALA 71 Cb -0.24 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1d4k s ALA 71 CO 0.20 -0.32 0.43 -1.50 0.00 0.00 0.00 175.76 174.57 1d4k s ILE 72 N -3.74 -0.12 0.00 0.00 2.07 -1.26 -0.46 121.20 117.68 1d4k s ILE 72 Ca 0.18 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1d4k s ILE 72 Cb 0.06 -0.65 0.00 0.00 0.13 0.00 0.00 42.46 42.01 1d4k s ILE 72 CO -0.01 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1d4k n GLY 73 N 4.45 0.73 3.73 1.50 0.00 -0.83 -4.87 105.19 109.90 1d4k n GLY 73 Ca -0.21 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1d4k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4k s THR 74 N -2.05 3.46 -0.06 2.61 2.01 -1.26 -1.09 115.64 119.25 1d4k s THR 74 Ca 0.00 1.17 0.02 0.00 0.31 0.00 0.00 61.69 63.18 1d4k s THR 74 Cb 0.00 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1d4k s THR 74 CO 0.00 0.15 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.30 1d4k s VAL 75 N 0.33 0.93 -0.21 3.82 1.01 0.46 -4.44 120.40 122.29 1d4k s VAL 75 Ca 0.57 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1d4k s VAL 75 Cb -0.34 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1d4k s VAL 75 CO 0.35 0.31 0.16 -0.76 0.00 0.00 0.00 175.10 175.17 1d4k s LEU 76 N 0.85 4.18 -0.17 3.92 1.43 -0.07 -1.15 118.68 127.66 1d4k s LEU 76 Ca -0.12 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1d4k s LEU 76 Cb -0.15 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1d4k s LEU 76 CO 0.01 0.13 -0.04 -0.69 0.23 0.00 0.00 176.35 176.00 1d4k s VAL 77 N 0.63 3.77 0.21 -1.59 1.01 -0.21 -0.34 120.40 123.88 1d4k s VAL 77 Ca 0.09 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1d4k s VAL 77 Cb -0.12 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.65 1d4k s VAL 77 CO 0.01 0.47 0.85 0.61 0.00 0.00 0.00 175.10 177.04 1d4k n GLY 78 N 3.90 0.79 2.28 4.51 0.00 -1.08 -0.84 105.19 114.76 1d4k n GLY 78 Ca -0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 1d4k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4k n PRO 79 N -0.59 1.69 -2.96 1.61 -0.04 -1.26 -2.77 135.00 130.67 1d4k n PRO 79 Ca -0.03 -0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 62.06 1d4k n PRO 79 Cb 0.51 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1d4k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4k s THR 80 N 2.11 4.35 -0.14 0.52 -1.32 -1.26 -4.96 115.64 114.94 1d4k s THR 80 Ca 0.45 1.72 0.29 0.00 -1.21 0.00 0.00 61.69 62.95 1d4k s THR 80 Cb 0.18 -4.14 0.32 0.00 -1.51 0.00 0.00 72.50 67.35 1d4k s THR 80 CO -0.01 0.50 1.87 1.55 -2.21 0.00 0.00 174.62 176.32 1d4k h PRO 81 N 4.25 0.00 -2.53 7.08 0.13 -1.99 -3.44 132.00 135.51 1d4k h PRO 81 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1d4k h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1d4k h PRO 81 CO 0.66 0.00 -0.05 0.54 -0.23 0.00 0.00 178.00 178.92 1d4k s VAL 82 N -3.54 0.03 0.11 1.56 0.11 -1.26 -5.10 120.40 112.31 1d4k s VAL 82 Ca 0.02 -0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.53 1d4k s VAL 82 Cb 0.09 -0.80 -0.07 0.00 -1.53 0.00 0.00 36.38 34.07 1d4k s VAL 82 CO 0.44 -0.13 1.27 0.20 -3.33 0.00 0.00 175.10 173.55 1d4k s ASN 83 N -1.21 6.99 -0.16 3.54 0.01 -1.26 -4.69 114.94 118.15 1d4k s ASN 83 Ca -0.12 2.18 0.01 0.00 -0.71 0.00 0.00 52.86 54.22 1d4k s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 1d4k s ASN 83 CO 0.07 -0.51 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.33 1d4k s ILE 84 N 0.81 1.92 -0.39 0.60 1.01 0.10 -0.56 121.20 124.69 1d4k s ILE 84 Ca 0.59 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 1d4k s ILE 84 Cb -0.33 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1d4k s ILE 84 CO 0.31 0.52 0.47 -0.63 0.00 0.00 0.00 174.94 175.62 1d4k s ILE 85 N 1.25 5.05 0.56 2.92 -1.09 -0.13 -0.84 121.20 128.92 1d4k s ILE 85 Ca 0.03 -0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1d4k s ILE 85 Cb -0.13 -4.00 0.12 0.00 -1.58 0.00 0.00 42.46 36.86 1d4k s ILE 85 CO -0.10 -0.33 0.77 0.61 -1.23 0.00 0.00 174.94 174.66 1d4k n GLY 86 N 4.98 0.36 0.26 6.18 0.00 -1.20 -1.34 105.19 114.43 1d4k n GLY 86 Ca -0.06 -1.96 0.10 0.00 0.00 0.00 0.00 46.02 44.09 1d4k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4k h ARG 87 N 0.00 0.00 -0.27 1.61 3.08 -1.18 -1.43 114.38 116.19 1d4k h ARG 87 Ca -0.25 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1d4k h ARG 87 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1d4k h ARG 87 CO 0.26 0.05 0.15 -2.95 -1.07 0.00 0.00 179.97 176.40 1d4k h ASN 88 N 0.00 0.31 0.05 7.04 -1.07 -1.80 -2.19 115.58 117.92 1d4k h ASN 88 Ca -0.00 -0.02 -0.32 0.00 0.07 0.00 0.00 56.30 56.03 1d4k h ASN 88 Cb 0.09 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.20 1d4k h ASN 88 CO 0.01 0.26 -2.29 0.18 0.07 0.00 0.00 177.43 175.65 1d4k n LEU 89 N -4.47 0.07 -0.02 6.14 4.77 -0.96 -4.33 117.00 118.20 1d4k n LEU 89 Ca 0.01 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1d4k n LEU 89 Cb 0.09 0.42 0.22 0.00 -2.33 0.00 0.00 43.42 41.83 1d4k n LEU 89 CO 0.35 0.44 0.84 -0.07 -1.33 0.00 0.00 177.39 177.62 1d4k h LEU 90 N 0.00 0.56 -1.36 2.23 3.38 -1.12 -2.36 115.31 116.64 1d4k h LEU 90 Ca -0.47 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 1d4k h LEU 90 Cb 2.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 1d4k h LEU 90 CO 0.03 0.70 -0.30 0.71 0.09 0.00 0.00 178.44 179.67 1d4k h THR 91 N 0.54 1.22 0.00 0.22 1.35 -1.60 -2.81 112.91 111.82 1d4k h THR 91 Ca 0.10 -1.06 -0.10 0.00 -0.55 0.00 0.00 66.41 64.80 1d4k h THR 91 Cb 0.50 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1d4k h THR 91 CO 0.03 0.31 -0.45 1.56 -0.25 0.00 0.00 175.52 176.71 1d4k h GLN 92 N 0.02 0.00 -0.50 4.72 4.20 -1.62 -2.97 115.11 118.96 1d4k h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d4k h GLN 92 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1d4k h GLN 92 CO 0.04 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.09 1d4k n ILE 93 N -3.64 0.66 -1.80 2.54 -5.35 -1.07 -4.97 119.36 105.72 1d4k n ILE 93 Ca -0.01 -0.75 -0.01 0.00 -0.27 0.00 0.00 62.75 61.72 1d4k n ILE 93 Cb 0.54 0.58 -0.01 0.00 -1.74 0.00 0.00 39.64 39.01 1d4k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4k n GLY 94 N 1.45 -4.29 0.00 3.28 0.00 -1.13 -5.11 105.19 99.40 1d4k n GLY 94 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1d4k n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d4k n THR 96 N 0.91 0.00 -4.01 2.61 -2.24 -1.26 -5.05 114.28 105.23 1d4k n THR 96 Ca -0.07 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 1d4k n THR 96 Cb 0.11 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 1d4k n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1d4k s LEU 97 N 0.00 3.89 -0.03 3.22 1.43 -1.26 -5.10 118.68 120.84 1d4k s LEU 97 Ca 0.00 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1d4k s LEU 97 Cb 0.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1d4k s LEU 97 CO 0.00 0.23 -0.08 0.20 0.23 0.00 0.00 176.35 176.92 1d4k s ASN 98 N 0.05 1.14 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.99 1d4k s ASN 98 Ca 0.06 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 1d4k s ASN 98 Cb -0.12 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.80 1d4k s ASN 98 CO 0.01 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.81