#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4j s GLN 2 N 0.00 3.26 -0.22 0.54 0.74 -1.26 -5.09 119.66 117.63 1d4j s GLN 2 Ca 0.00 -0.69 -0.06 0.00 0.05 0.00 0.00 55.36 54.67 1d4j s GLN 2 Cb 0.00 -2.87 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 1d4j s GLN 2 CO 0.00 -0.19 0.02 0.42 -0.55 0.00 0.00 175.29 174.99 1d4j s ILE 3 N 1.39 4.01 0.66 -2.34 1.01 -1.26 -5.10 121.20 119.57 1d4j s ILE 3 Ca 0.05 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 1d4j s ILE 3 Cb -0.14 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.50 1d4j s ILE 3 CO -0.06 0.40 1.03 0.42 0.00 0.00 0.00 174.94 176.72 1d4j s THR 4 N 1.27 3.63 -0.24 2.92 -4.23 -1.26 -5.01 115.64 112.71 1d4j s THR 4 Ca 0.04 0.35 0.12 0.00 -1.18 0.00 0.00 61.69 61.02 1d4j s THR 4 Cb -0.15 -3.50 0.50 0.00 1.34 0.00 0.00 72.50 70.70 1d4j s THR 4 CO 0.02 -0.61 1.44 0.18 -0.54 0.00 0.00 174.62 175.10 1d4j n LEU 5 N -2.85 3.97 0.06 4.79 4.77 -1.26 -4.55 117.00 121.93 1d4j n LEU 5 Ca 0.06 -3.47 -0.00 0.00 -0.03 0.00 0.00 56.01 52.57 1d4j n LEU 5 Cb 0.57 -0.59 0.30 0.00 -2.33 0.00 0.00 43.42 41.37 1d4j n LEU 5 CO 0.56 1.02 0.84 -0.50 -1.33 0.00 0.00 177.39 177.98 1d4j h TRP 6 N 1.22 0.40 -2.08 -1.77 4.06 -2.06 -3.43 115.95 112.29 1d4j h TRP 6 Ca 0.14 -0.06 -0.58 0.00 2.06 0.00 0.00 58.89 60.45 1d4j h TRP 6 Cb 1.56 -0.11 -0.13 0.00 -1.00 0.00 0.00 29.16 29.48 1d4j h TRP 6 CO 0.79 0.52 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.91 1d4j s GLN 7 N -4.68 1.82 0.28 0.49 -1.52 -1.26 -5.10 119.66 109.69 1d4j s GLN 7 Ca -0.06 -2.00 -0.30 0.00 -1.95 0.00 0.00 55.36 51.05 1d4j s GLN 7 Cb 0.15 -1.43 -0.11 0.00 -0.22 0.00 0.00 33.01 31.40 1d4j s GLN 7 CO 0.76 -0.04 1.52 1.03 -0.25 0.00 0.00 175.29 178.31 1d4j s ARG 8 N -3.73 4.18 -1.29 2.91 0.52 -1.26 -4.87 118.95 115.41 1d4j s ARG 8 Ca 0.34 2.46 -0.19 0.00 -0.52 0.00 0.00 55.73 57.83 1d4j s ARG 8 Cb 0.08 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.54 1d4j s ARG 8 CO 0.16 -0.53 1.76 -0.35 0.02 0.00 0.00 175.30 176.37 1d4j n PRO 9 N 2.08 3.01 -3.47 3.54 -0.04 -1.26 -4.95 135.00 133.90 1d4j n PRO 9 Ca 0.07 -3.18 -0.38 0.00 -0.04 0.00 0.00 63.50 59.97 1d4j n PRO 9 Cb 0.39 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 1d4j n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4j s LEU 10 N 5.04 4.41 0.20 1.53 1.43 -1.26 -1.39 118.68 128.64 1d4j s LEU 10 Ca 0.56 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1d4j s LEU 10 Cb 0.03 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1d4j s LEU 10 CO 0.09 0.24 0.02 0.68 0.23 0.00 0.00 176.35 177.61 1d4j s VAL 11 N -0.58 0.66 -0.09 -1.59 -7.23 0.45 -4.94 120.40 107.07 1d4j s VAL 11 Ca 0.23 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 1d4j s VAL 11 Cb -0.16 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1d4j s VAL 11 CO 0.12 -0.35 0.31 -0.89 -0.31 0.00 0.00 175.10 173.97 1d4j s THR 12 N -3.67 5.25 0.18 5.32 2.01 -1.26 -0.40 115.64 123.06 1d4j s THR 12 Ca 0.27 0.59 0.08 0.00 0.31 0.00 0.00 61.69 62.95 1d4j s THR 12 Cb 0.06 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1d4j s THR 12 CO 0.06 0.51 -0.17 0.27 -0.69 0.00 0.00 174.62 174.60 1d4j s ILE 13 N -0.41 1.81 -0.15 1.82 -4.36 0.95 -2.47 121.20 118.40 1d4j s ILE 13 Ca 0.19 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1d4j s ILE 13 Cb -0.14 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.69 1d4j s ILE 13 CO 0.07 -0.40 -0.15 -0.75 0.24 0.00 0.00 174.94 173.96 1d4j s LYS 14 N -3.05 2.38 -0.06 0.37 2.20 -0.46 -0.72 119.74 120.40 1d4j s LYS 14 Ca 0.18 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1d4j s LYS 14 Cb -0.04 -2.14 0.04 0.00 -1.51 0.00 0.00 37.83 34.17 1d4j s LYS 14 CO 0.07 -0.21 0.10 -1.50 -0.36 0.00 0.00 175.35 173.45 1d4j s ILE 15 N 1.41 -0.16 -1.15 5.43 2.07 0.10 -1.37 121.20 127.53 1d4j s ILE 15 Ca 0.04 0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 59.59 1d4j s ILE 15 Cb -0.13 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1d4j s ILE 15 CO -0.10 0.16 1.00 0.61 -1.91 0.00 0.00 174.94 174.69 1d4j n GLY 16 N 5.19 -0.33 2.40 1.50 0.00 -1.26 -2.04 105.19 110.65 1d4j n GLY 16 Ca -0.06 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1d4j n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4j n GLY 17 N -1.67 1.31 3.20 -0.02 0.00 -1.26 -5.00 105.19 101.75 1d4j n GLY 17 Ca -0.04 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1d4j n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4j s GLN 18 N -3.33 1.75 -0.16 1.61 -0.21 -0.86 -5.12 119.66 113.33 1d4j s GLN 18 Ca 0.00 -0.71 -0.13 0.00 0.02 0.00 0.00 55.36 54.54 1d4j s GLN 18 Cb 0.00 -1.62 -0.05 0.00 1.00 0.00 0.00 33.01 32.34 1d4j s GLN 18 CO 0.00 0.38 0.26 -0.51 -2.12 0.00 0.00 175.29 173.30 1d4j s LEU 19 N -0.32 4.25 0.04 2.90 1.43 -1.26 -0.72 118.68 125.01 1d4j s LEU 19 Ca 0.04 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1d4j s LEU 19 Cb -0.09 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 1d4j s LEU 19 CO 0.00 0.14 0.00 -0.54 0.23 0.00 0.00 176.35 176.18 1d4j s LYS 20 N 0.30 0.55 -0.11 1.70 1.02 0.10 -4.97 119.74 118.32 1d4j s LYS 20 Ca 0.15 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 55.04 1d4j s LYS 20 Cb -0.13 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.33 1d4j s LYS 20 CO 0.03 -0.11 0.24 -2.00 -0.92 0.00 0.00 175.35 172.60 1d4j s GLU 21 N -3.12 3.86 0.04 1.68 2.12 -1.26 -0.03 118.70 121.99 1d4j s GLU 21 Ca -0.01 0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 1d4j s GLU 21 Cb 0.02 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1d4j s GLU 21 CO -0.07 0.56 0.00 0.00 -0.54 0.00 0.00 175.26 175.21 1d4j s ALA 22 N -0.47 0.26 -0.19 6.30 0.00 0.46 -4.44 121.76 123.68 1d4j s ALA 22 Ca 0.17 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.12 1d4j s ALA 22 Cb -0.13 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1d4j s ALA 22 CO 0.05 -0.30 0.24 -1.17 0.00 0.00 0.00 175.76 174.58 1d4j s LEU 23 N -2.33 4.21 -0.51 0.00 2.96 0.16 -0.41 118.68 122.75 1d4j s LEU 23 Ca -0.02 0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 1d4j s LEU 23 Cb 0.01 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1d4j s LEU 23 CO -0.06 0.10 1.25 -0.76 -1.32 0.00 0.00 176.35 175.56 1d4j s LEU 24 N 0.61 3.52 -0.37 -0.68 1.43 -0.49 -0.28 118.68 122.43 1d4j s LEU 24 Ca 0.13 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1d4j s LEU 24 Cb -0.13 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.86 1d4j s LEU 24 CO 0.02 -1.44 0.11 -0.62 0.23 0.00 0.00 176.35 174.66 1d4j s ASP 25 N 3.22 4.97 0.51 2.29 -1.08 -0.03 -4.79 116.67 121.76 1d4j s ASP 25 Ca 0.49 -2.09 0.33 0.00 -0.52 0.00 0.00 52.55 50.76 1d4j s ASP 25 Cb -0.09 -1.71 1.47 0.00 -1.46 0.00 0.00 42.92 41.13 1d4j s ASP 25 CO 0.29 -0.45 1.99 0.71 0.52 0.00 0.00 175.17 178.23 1d4j h THR 26 N 6.51 0.00 0.00 1.71 1.35 -1.93 -2.59 112.91 117.96 1d4j h THR 26 Ca -0.08 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1d4j h THR 26 Cb 1.03 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1d4j h THR 26 CO 0.59 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.39 1d4j n GLY 27 N -0.20 -1.61 3.65 5.82 0.00 -1.26 -4.77 105.19 106.81 1d4j n GLY 27 Ca 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1d4j n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4j s ALA 28 N -3.08 3.56 0.21 4.61 0.00 -0.97 -4.97 121.76 121.11 1d4j s ALA 28 Ca 0.11 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1d4j s ALA 28 Cb 0.14 -2.70 0.16 0.00 0.00 0.00 0.00 23.12 20.72 1d4j s ALA 28 CO 0.60 -0.44 1.66 -0.44 0.00 0.00 0.00 175.76 177.14 1d4j h ASP 29 N 7.62 0.91 -2.66 0.00 3.32 -1.87 0.89 116.42 124.63 1d4j h ASP 29 Ca -0.34 -0.27 -0.53 0.00 0.02 0.00 0.00 57.03 55.91 1d4j h ASP 29 Cb 1.16 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1d4j h ASP 29 CO 0.71 1.01 -0.60 -1.81 -1.72 0.00 0.00 179.24 176.83 1d4j s ASP 30 N -6.65 2.91 -0.07 6.45 1.01 -1.26 -2.16 116.67 116.90 1d4j s ASP 30 Ca -0.10 -1.39 -0.19 0.00 0.71 0.00 0.00 52.55 51.57 1d4j s ASP 30 Cb 0.14 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.87 1d4j s ASP 30 CO 0.84 -0.57 0.52 -0.89 0.21 0.00 0.00 175.17 175.28 1d4j s THR 31 N -3.10 5.08 -0.06 -1.27 2.01 -1.26 -3.60 115.64 113.45 1d4j s THR 31 Ca 0.35 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.42 1d4j s THR 31 Cb 0.09 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1d4j s THR 31 CO 0.16 0.37 -0.06 0.54 -0.69 0.00 0.00 174.62 174.94 1d4j s VAL 32 N 0.22 0.69 0.20 3.82 0.11 -0.53 -0.41 120.40 124.50 1d4j s VAL 32 Ca 0.28 -0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1d4j s VAL 32 Cb -0.16 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 1d4j s VAL 32 CO 0.13 0.27 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.21 1d4j s LEU 33 N 1.01 2.60 0.90 2.54 1.43 0.86 -0.65 118.68 127.37 1d4j s LEU 33 Ca -0.09 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1d4j s LEU 33 Cb -0.14 -1.31 0.14 0.00 0.03 0.00 0.00 46.19 44.91 1d4j s LEU 33 CO -0.00 0.11 1.14 -1.83 0.23 0.00 0.00 176.35 176.00 1d4j s GLU 34 N -2.77 1.14 -0.04 1.70 -1.05 -1.26 -1.60 118.70 114.82 1d4j s GLU 34 Ca 0.23 1.48 -0.39 0.00 -0.15 0.00 0.00 54.97 56.13 1d4j s GLU 34 Cb -0.08 -1.75 -0.18 0.00 -0.44 0.00 0.00 34.13 31.68 1d4j s GLU 34 CO 0.12 -2.53 1.28 0.39 0.95 0.00 0.00 175.26 175.47 1d4j n GLU 35 N -4.16 0.52 -3.66 -4.83 -0.58 -1.18 -4.55 120.64 102.20 1d4j n GLU 35 Ca 0.11 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.98 1d4j n GLU 35 Cb 0.52 -1.76 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1d4j n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1d4j s MET 36 N 0.77 1.19 -0.16 3.49 0.23 -1.26 -5.03 119.30 118.53 1d4j s MET 36 Ca 0.91 -0.59 -0.14 0.00 -1.03 0.00 0.00 55.69 54.84 1d4j s MET 36 Cb -1.16 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.55 1d4j s MET 36 CO 0.56 -0.54 0.28 0.45 -2.03 0.00 0.00 175.02 173.75 1d4j s SER 37 N -2.79 6.42 0.03 -1.18 0.15 -1.26 -5.04 113.70 110.03 1d4j s SER 37 Ca 0.09 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.26 1d4j s SER 37 Cb -0.02 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1d4j s SER 37 CO -0.02 0.10 -0.13 -0.76 1.20 0.00 0.00 173.24 173.63 1d4j s LEU 38 N 0.47 2.14 0.70 3.45 1.43 -1.26 -5.06 118.68 120.55 1d4j s LEU 38 Ca 0.16 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1d4j s LEU 38 Cb -0.13 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.55 1d4j s LEU 38 CO 0.03 0.04 1.07 -2.84 0.23 0.00 0.00 176.35 174.88 1d4j s PRO 39 N -0.97 2.75 0.00 1.29 0.02 -1.26 -4.94 135.00 131.89 1d4j s PRO 39 Ca 0.01 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.13 1d4j s PRO 39 Cb -0.07 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1d4j s PRO 39 CO 0.01 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.84 1d4j n GLY 40 N -1.45 -0.04 3.84 0.52 0.00 -1.26 -4.99 105.19 101.82 1d4j n GLY 40 Ca 0.08 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1d4j n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4j s ARG 41 N -1.61 3.77 0.05 1.61 0.52 -1.26 -5.09 118.95 116.95 1d4j s ARG 41 Ca 0.00 0.95 -0.03 0.00 -0.52 0.00 0.00 55.73 56.13 1d4j s ARG 41 Cb 0.00 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 1d4j s ARG 41 CO 0.00 -0.42 0.03 1.67 0.02 0.00 0.00 175.30 176.60 1d4j s TRP 42 N -2.72 0.39 0.05 -0.53 1.48 -1.26 -4.59 118.94 111.76 1d4j s TRP 42 Ca 0.59 -0.87 0.09 0.00 -1.06 0.00 0.00 56.10 54.85 1d4j s TRP 42 Cb -0.11 -0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 31.89 1d4j s TRP 42 CO 0.37 -0.40 -0.25 0.15 -4.06 0.00 0.00 176.95 172.76 1d4j s LYS 43 N -3.60 1.66 0.43 3.25 1.02 -0.79 -4.87 119.74 116.83 1d4j s LYS 43 Ca 0.04 -1.09 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 1d4j s LYS 43 Cb 0.05 -1.85 -0.09 0.00 -0.52 0.00 0.00 37.83 35.43 1d4j s LYS 43 CO -0.09 0.47 1.07 -2.14 -0.92 0.00 0.00 175.35 173.74 1d4j s PRO 44 N -1.29 4.03 0.06 -1.68 0.02 -1.26 -0.08 135.00 134.80 1d4j s PRO 44 Ca 0.11 1.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.48 1d4j s PRO 44 Cb -0.10 -2.43 0.03 0.00 0.02 0.00 0.00 34.50 32.02 1d4j s PRO 44 CO 0.02 -0.26 0.39 0.21 -0.33 0.00 0.00 177.00 177.03 1d4j s LYS 45 N -2.67 0.93 -0.13 5.54 2.20 -0.74 -4.87 119.74 120.01 1d4j s LYS 45 Ca 0.60 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1d4j s LYS 45 Cb -0.22 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1d4j s LYS 45 CO 0.27 -0.33 -0.23 1.41 -0.36 0.00 0.00 175.35 176.12 1d4j s MET 46 N -2.80 3.03 -0.02 4.03 -2.45 -1.26 -1.02 119.30 118.81 1d4j s MET 46 Ca -0.03 -0.86 0.07 0.00 -1.25 0.00 0.00 55.69 53.62 1d4j s MET 46 Cb -0.00 -2.39 -0.02 0.00 1.25 0.00 0.00 34.83 33.67 1d4j s MET 46 CO -0.05 0.04 -0.24 0.96 1.05 0.00 0.00 175.02 176.79 1d4j s ILE 47 N 0.67 1.89 -0.07 10.11 -4.36 -0.79 -4.96 121.20 123.69 1d4j s ILE 47 Ca -0.11 -1.02 0.03 0.00 -0.26 0.00 0.00 60.65 59.29 1d4j s ILE 47 Cb -0.16 -1.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 1d4j s ILE 47 CO 0.01 0.54 -0.15 -0.83 0.24 0.00 0.00 174.94 174.75 1d4j s GLY 48 N -0.56 1.52 0.00 6.27 0.00 -1.26 -1.41 107.32 111.88 1d4j s GLY 48 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1d4j s GLY 48 CO -0.01 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.10 1d4j n GLY 49 N 2.67 5.40 3.71 0.20 0.00 -0.46 -4.97 105.19 111.74 1d4j n GLY 49 Ca -0.17 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1d4j n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d4j s ILE 50 N 0.66 3.46 0.00 -0.61 -1.09 -1.26 -2.63 121.20 119.73 1d4j s ILE 50 Ca 0.00 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1d4j s ILE 50 Cb 0.00 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1d4j s ILE 50 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 1d4j n GLY 51 N 3.54 3.36 0.00 6.18 0.00 -1.26 -4.96 105.19 112.06 1d4j n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1d4j n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4j n GLY 52 N -1.65 0.74 3.86 -0.02 0.00 -1.08 -5.09 105.19 101.95 1d4j n GLY 52 Ca 0.00 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 1d4j n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4j s PHE 53 N -1.44 3.33 0.07 1.61 0.40 -1.26 -1.35 117.98 119.33 1d4j s PHE 53 Ca 0.00 0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1d4j s PHE 53 Cb 0.00 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 1d4j s PHE 53 CO 0.00 0.53 -0.11 0.96 0.70 0.00 0.00 175.22 177.30 1d4j s ILE 54 N -1.65 0.84 -0.09 0.64 -4.36 -0.50 -4.97 121.20 111.11 1d4j s ILE 54 Ca 0.32 -1.29 -0.15 0.00 -0.26 0.00 0.00 60.65 59.27 1d4j s ILE 54 Cb -0.11 -0.95 -0.05 0.00 1.25 0.00 0.00 42.46 42.60 1d4j s ILE 54 CO 0.26 -0.37 0.39 -0.75 0.24 0.00 0.00 174.94 174.71 1d4j s LYS 55 N -1.93 4.14 0.26 0.37 2.20 -1.26 -1.89 119.74 121.63 1d4j s LYS 55 Ca -0.03 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1d4j s LYS 55 Cb -0.08 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1d4j s LYS 55 CO 0.01 0.39 0.03 0.14 -0.36 0.00 0.00 175.35 175.56 1d4j s VAL 56 N -0.08 0.97 -0.19 4.02 -7.23 -0.19 -4.45 120.40 113.25 1d4j s VAL 56 Ca 0.22 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1d4j s VAL 56 Cb -0.15 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1d4j s VAL 56 CO 0.10 -0.17 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.59 1d4j s ARG 57 N -3.91 3.67 -0.31 4.82 0.52 0.71 -1.78 118.95 122.66 1d4j s ARG 57 Ca 0.33 -0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1d4j s ARG 57 Cb 0.07 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1d4j s ARG 57 CO 0.12 0.10 0.43 -1.14 0.02 0.00 0.00 175.30 174.83 1d4j s GLN 58 N 0.77 3.78 -0.08 3.54 0.74 0.89 -0.78 119.66 128.52 1d4j s GLN 58 Ca 0.00 -0.10 -0.00 0.00 0.05 0.00 0.00 55.36 55.31 1d4j s GLN 58 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1d4j s GLN 58 CO 0.02 -0.47 -0.05 0.71 -0.55 0.00 0.00 175.29 174.95 1d4j s TYR 59 N 2.20 2.99 0.33 1.67 1.51 -0.15 -1.89 117.35 124.00 1d4j s TYR 59 Ca 0.16 0.04 0.08 0.00 -1.01 0.00 0.00 57.07 56.34 1d4j s TYR 59 Cb -0.16 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1d4j s TYR 59 CO 0.11 0.34 0.17 -0.51 -1.11 0.00 0.00 175.55 174.55 1d4j s ASP 60 N -0.75 4.88 -1.59 2.29 -0.00 -1.26 -0.79 116.67 119.46 1d4j s ASP 60 Ca 0.11 -0.65 -0.15 0.00 -0.00 0.00 0.00 52.55 51.86 1d4j s ASP 60 Cb -0.11 -0.85 0.11 0.00 -0.00 0.00 0.00 42.92 42.07 1d4j s ASP 60 CO 0.02 -0.27 0.91 0.00 -0.00 0.00 0.00 175.17 175.83 1d4j n GLN 61 N -1.18 -4.71 -3.33 8.23 1.13 -1.23 -4.92 117.38 111.36 1d4j n GLN 61 Ca -0.03 0.52 -0.38 0.00 -1.94 0.00 0.00 57.00 55.16 1d4j n GLN 61 Cb 0.60 -5.34 -0.06 0.00 0.11 0.00 0.00 30.24 25.55 1d4j n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1d4j s ILE 62 N -3.31 4.98 -0.10 5.09 -1.09 -0.54 -4.79 121.20 121.44 1d4j s ILE 62 Ca 0.67 1.05 -0.16 0.00 -2.23 0.00 0.00 60.65 59.97 1d4j s ILE 62 Cb -0.34 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1d4j s ILE 62 CO 0.86 0.47 0.42 -0.22 -1.23 0.00 0.00 174.94 175.24 1d4j s LEU 63 N -0.41 4.31 -0.00 2.97 2.96 -1.26 -1.67 118.68 125.58 1d4j s LEU 63 Ca 0.27 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1d4j s LEU 63 Cb -0.17 -2.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.93 1d4j s LEU 63 CO 0.15 0.09 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.60 1d4j s ILE 64 N 0.22 0.30 -0.35 6.68 1.01 0.39 -4.52 121.20 124.93 1d4j s ILE 64 Ca 0.23 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 1d4j s ILE 64 Cb -0.15 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.07 1d4j s ILE 64 CO 0.09 0.06 0.18 -1.61 0.00 0.00 0.00 174.94 173.66 1d4j s GLU 65 N -0.16 3.02 -0.34 2.79 2.02 -0.47 -0.79 118.70 124.77 1d4j s GLU 65 Ca 0.01 -0.94 -0.10 0.00 0.02 0.00 0.00 54.97 53.95 1d4j s GLU 65 Cb -0.02 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.56 1d4j s GLU 65 CO -0.00 -0.58 0.18 0.42 0.02 0.00 0.00 175.26 175.30 1d4j s ILE 66 N 1.57 4.67 -1.22 -1.63 1.01 0.81 -1.35 121.20 125.05 1d4j s ILE 66 Ca 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1d4j s ILE 66 Cb -0.18 -3.46 0.08 0.00 0.01 0.00 0.00 42.46 38.91 1d4j s ILE 66 CO 0.06 -0.04 0.44 0.00 0.00 0.00 0.00 174.94 175.40 1d4j n GLY 68 N -1.09 0.99 3.72 0.00 0.00 -1.26 -5.07 105.19 102.48 1d4j n GLY 68 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1d4j n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4j s HIS 69 N -2.28 3.35 0.29 1.61 4.02 0.43 -5.07 115.29 117.65 1d4j s HIS 69 Ca 0.00 0.24 -0.28 0.00 1.02 0.00 0.00 55.06 56.05 1d4j s HIS 69 Cb 0.00 -2.03 -0.09 0.00 -1.02 0.00 0.00 32.58 29.44 1d4j s HIS 69 CO 0.00 0.35 1.00 0.15 1.02 0.00 0.00 174.74 177.26 1d4j s LYS 70 N -0.10 4.63 -0.18 1.40 -0.14 -1.26 -0.13 119.74 123.95 1d4j s LYS 70 Ca 0.08 1.53 -0.16 0.00 -1.36 0.00 0.00 55.97 56.06 1d4j s LYS 70 Cb -0.12 -3.03 0.05 0.00 -1.68 0.00 0.00 37.83 33.05 1d4j s LYS 70 CO 0.01 0.28 0.48 0.00 -0.76 0.00 0.00 175.35 175.36 1d4j s ALA 71 N -1.36 -1.18 -0.03 5.17 0.00 0.03 -4.81 121.76 119.58 1d4j s ALA 71 Ca 0.47 1.35 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1d4j s ALA 71 Cb -0.25 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1d4j s ALA 71 CO 0.32 -0.23 -0.23 0.42 0.00 0.00 0.00 175.76 176.04 1d4j s ILE 72 N 0.29 2.26 -1.33 0.00 1.01 -1.26 -0.47 121.20 121.70 1d4j s ILE 72 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.63 1d4j s ILE 72 Cb -0.03 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1d4j s ILE 72 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1d4j n GLY 73 N 2.53 -1.46 3.77 6.18 0.00 -0.67 -4.93 105.19 110.60 1d4j n GLY 73 Ca -0.17 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1d4j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4j s THR 74 N -2.39 3.54 -0.05 2.61 2.01 -1.26 -1.47 115.64 118.64 1d4j s THR 74 Ca 0.00 1.37 0.01 0.00 0.31 0.00 0.00 61.69 63.38 1d4j s THR 74 Cb 0.00 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1d4j s THR 74 CO 0.00 0.19 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.38 1d4j s VAL 75 N -1.39 0.60 -0.13 3.82 1.01 0.03 -4.36 120.40 119.99 1d4j s VAL 75 Ca 0.51 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1d4j s VAL 75 Cb -0.28 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1d4j s VAL 75 CO 0.35 0.24 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 1d4j s LEU 76 N 0.93 4.24 -0.10 3.92 1.43 0.45 -0.97 118.68 128.58 1d4j s LEU 76 Ca -0.11 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1d4j s LEU 76 Cb -0.14 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1d4j s LEU 76 CO 0.00 0.36 -0.22 -0.69 0.23 0.00 0.00 176.35 176.04 1d4j s VAL 77 N -0.76 1.90 -0.02 -1.59 1.01 0.04 -0.10 120.40 120.88 1d4j s VAL 77 Ca 0.13 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1d4j s VAL 77 Cb -0.12 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1d4j s VAL 77 CO 0.03 0.52 0.50 0.61 0.00 0.00 0.00 175.10 176.76 1d4j n GLY 78 N 3.64 0.41 2.40 4.51 0.00 -0.63 -0.21 105.19 115.31 1d4j n GLY 78 Ca -0.20 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1d4j n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4j n PRO 79 N -0.36 1.25 -3.02 1.61 -0.04 -1.26 -3.11 135.00 130.07 1d4j n PRO 79 Ca 0.02 -0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 62.33 1d4j n PRO 79 Cb 0.22 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 1d4j n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4j s THR 80 N 2.61 4.45 0.37 0.52 -1.32 -1.26 -4.96 115.64 116.05 1d4j s THR 80 Ca 0.33 1.50 0.26 0.00 -1.21 0.00 0.00 61.69 62.57 1d4j s THR 80 Cb 0.13 -3.98 0.27 0.00 -1.51 0.00 0.00 72.50 67.40 1d4j s THR 80 CO -0.01 0.33 2.01 -0.65 -2.21 0.00 0.00 174.62 174.09 1d4j h PRO 81 N 3.76 0.00 -3.24 7.08 0.11 -1.99 -3.43 132.00 134.30 1d4j h PRO 81 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1d4j h PRO 81 Cb 1.20 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.12 1d4j h PRO 81 CO 0.65 0.16 -0.30 0.54 -0.21 0.00 0.00 178.00 178.84 1d4j s VAL 82 N -4.11 0.08 0.10 3.15 0.11 -1.26 -5.08 120.40 113.38 1d4j s VAL 82 Ca -0.02 -0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 58.10 1d4j s VAL 82 Cb 0.13 -0.74 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1d4j s VAL 82 CO 0.60 -0.34 1.23 0.20 -3.33 0.00 0.00 175.10 173.46 1d4j s ASN 83 N -1.67 7.04 -0.11 3.54 0.01 -1.26 -4.74 114.94 117.74 1d4j s ASN 83 Ca -0.10 2.13 0.03 0.00 -0.71 0.00 0.00 52.86 54.21 1d4j s ASN 83 Cb -0.03 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1d4j s ASN 83 CO 0.01 -0.47 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.30 1d4j s ILE 84 N 0.75 1.79 -0.36 0.60 1.01 0.18 -0.66 121.20 124.51 1d4j s ILE 84 Ca 0.58 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1d4j s ILE 84 Cb -0.32 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1d4j s ILE 84 CO 0.31 0.50 0.28 -0.63 0.00 0.00 0.00 174.94 175.40 1d4j s ILE 85 N 0.73 5.26 0.59 2.92 -1.09 0.61 -1.46 121.20 128.77 1d4j s ILE 85 Ca -0.11 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.06 1d4j s ILE 85 Cb -0.16 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.04 1d4j s ILE 85 CO 0.02 -0.11 0.81 0.61 -1.23 0.00 0.00 174.94 175.04 1d4j n GLY 86 N 5.10 1.30 0.38 6.18 0.00 -1.24 -0.85 105.19 116.06 1d4j n GLY 86 Ca -0.12 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 43.92 1d4j n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4j h ARG 87 N 0.00 0.54 -0.45 1.61 3.08 -0.80 -1.35 114.38 117.02 1d4j h ARG 87 Ca -0.27 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.88 1d4j h ARG 87 Cb 1.11 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1d4j h ARG 87 CO 0.33 0.36 0.32 -2.95 -1.07 0.00 0.00 179.97 176.96 1d4j h ASN 88 N 0.56 0.01 0.00 7.04 -1.07 -1.69 -1.83 115.58 118.59 1d4j h ASN 88 Ca 0.42 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.49 1d4j h ASN 88 Cb 0.80 -0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.99 1d4j h ASN 88 CO -0.17 0.01 -2.13 0.18 0.07 0.00 0.00 177.43 175.39 1d4j n LEU 89 N -4.41 0.21 -0.19 6.14 4.77 -0.78 -4.38 117.00 118.36 1d4j n LEU 89 Ca 0.08 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1d4j n LEU 89 Cb 0.52 0.32 0.28 0.00 -2.33 0.00 0.00 43.42 42.22 1d4j n LEU 89 CO 0.36 0.44 1.23 -0.07 -1.33 0.00 0.00 177.39 178.02 1d4j h LEU 90 N 0.00 0.79 -1.05 2.23 3.38 -0.93 -1.48 115.31 118.24 1d4j h LEU 90 Ca -0.45 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1d4j h LEU 90 Cb 1.99 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 1d4j h LEU 90 CO 0.02 0.56 0.17 0.71 0.09 0.00 0.00 178.44 179.98 1d4j h THR 91 N 0.92 1.22 0.00 0.22 1.35 -1.56 -1.58 112.91 113.49 1d4j h THR 91 Ca 0.27 -0.76 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 1d4j h THR 91 Cb -0.03 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1d4j h THR 91 CO -0.07 0.29 -0.19 1.56 -0.25 0.00 0.00 175.52 176.86 1d4j h GLN 92 N 0.82 0.00 -0.36 4.72 1.08 -1.47 -2.10 115.11 117.80 1d4j h GLN 92 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1d4j h GLN 92 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1d4j h GLN 92 CO -0.01 0.19 0.00 0.44 -0.95 0.00 0.00 178.83 178.51 1d4j n ILE 93 N -3.82 0.46 -2.11 2.54 -5.35 -1.08 -4.94 119.36 105.06 1d4j n ILE 93 Ca -0.02 -0.68 -0.05 0.00 -0.27 0.00 0.00 62.75 61.74 1d4j n ILE 93 Cb 0.29 0.86 -0.00 0.00 -1.74 0.00 0.00 39.64 39.05 1d4j n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4j n GLY 94 N 1.44 0.20 3.72 3.28 0.00 -0.79 -5.01 105.19 108.03 1d4j n GLY 94 Ca 0.19 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1d4j n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4j s THR 96 N 0.67 0.99 -0.16 0.00 -4.23 -1.26 -4.68 115.64 106.97 1d4j s THR 96 Ca 0.52 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 1d4j s THR 96 Cb -0.25 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 1d4j s THR 96 CO 0.30 -0.70 0.13 -0.76 -0.54 0.00 0.00 174.62 173.05 1d4j s LEU 97 N -3.15 4.30 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.68 1d4j s LEU 97 Ca 0.17 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1d4j s LEU 97 Cb 0.04 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 1d4j s LEU 97 CO 0.00 0.29 -0.05 0.20 0.23 0.00 0.00 176.35 177.03 1d4j s ASN 98 N -0.32 0.61 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.09 1d4j s ASN 98 Ca 0.11 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.31 1d4j s ASN 98 Cb -0.11 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1d4j s ASN 98 CO 0.01 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.82