#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4y s GLN 2 N 0.00 3.64 -0.17 0.54 0.74 -1.26 -5.10 119.66 118.05 1d4y s GLN 2 Ca 0.00 -0.51 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1d4y s GLN 2 Cb 0.00 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.99 1d4y s GLN 2 CO 0.00 -0.01 -0.12 0.42 -0.55 0.00 0.00 175.29 175.04 1d4y s ILE 3 N 1.06 2.98 0.50 -2.34 1.01 -1.26 -5.12 121.20 118.03 1d4y s ILE 3 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1d4y s ILE 3 Cb -0.14 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.06 1d4y s ILE 3 CO 0.02 0.50 0.70 0.42 0.00 0.00 0.00 174.94 176.57 1d4y s THR 4 N 0.85 3.00 -0.28 2.92 -4.23 -1.26 -5.02 115.64 111.61 1d4y s THR 4 Ca -0.04 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.84 1d4y s THR 4 Cb -0.15 -3.09 0.53 0.00 1.34 0.00 0.00 72.50 71.13 1d4y s THR 4 CO 0.00 -0.05 1.50 0.18 -0.54 0.00 0.00 174.62 175.71 1d4y n LEU 5 N -2.16 4.33 0.21 4.79 4.77 -1.26 -4.43 117.00 123.25 1d4y n LEU 5 Ca 0.07 -3.56 0.09 0.00 -0.03 0.00 0.00 56.01 52.58 1d4y n LEU 5 Cb 0.59 -0.63 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 1d4y n LEU 5 CO 0.44 1.08 0.75 -0.50 -1.33 0.00 0.00 177.39 177.83 1d4y h TRP 6 N 1.23 0.00 -1.79 -1.77 4.06 -2.06 -3.44 115.95 112.18 1d4y h TRP 6 Ca 0.20 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.54 1d4y h TRP 6 Cb 1.73 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.76 1d4y h TRP 6 CO 0.95 0.25 -0.62 0.15 -3.56 0.00 0.00 178.44 175.60 1d4y s LYS 7 N -3.48 1.95 0.23 0.49 1.02 -1.26 -5.10 119.74 113.59 1d4y s LYS 7 Ca 0.02 -1.98 -0.30 0.00 0.02 0.00 0.00 55.97 53.73 1d4y s LYS 7 Cb 0.09 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.58 1d4y s LYS 7 CO 0.66 0.04 1.32 1.03 -0.92 0.00 0.00 175.35 177.47 1d4y s ARG 8 N -3.69 4.38 -1.15 1.68 0.52 -1.26 -4.87 118.95 114.55 1d4y s ARG 8 Ca 0.35 2.10 -0.18 0.00 -0.52 0.00 0.00 55.73 57.47 1d4y s ARG 8 Cb 0.05 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1d4y s ARG 8 CO 0.18 -0.24 2.05 -0.35 0.02 0.00 0.00 175.30 176.96 1d4y n PRO 9 N 2.26 2.26 -3.22 3.54 -0.04 -1.26 -4.94 135.00 133.61 1d4y n PRO 9 Ca 0.05 -2.35 -0.37 0.00 -0.04 0.00 0.00 63.50 60.79 1d4y n PRO 9 Cb 0.42 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.64 1d4y n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1d4y s LEU 10 N 2.54 4.40 0.28 1.53 1.43 -1.26 -1.24 118.68 126.37 1d4y s LEU 10 Ca 0.53 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.95 1d4y s LEU 10 Cb 0.12 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 1d4y s LEU 10 CO 0.02 0.13 0.23 0.68 0.23 0.00 0.00 176.35 177.64 1d4y s VAL 11 N -1.38 0.00 -0.15 -1.59 -7.23 0.12 -4.95 120.40 105.23 1d4y s VAL 11 Ca 0.37 -1.98 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1d4y s VAL 11 Cb -0.17 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1d4y s VAL 11 CO 0.20 0.00 0.16 -0.89 -0.31 0.00 0.00 175.10 174.26 1d4y s THR 12 N -3.72 5.44 0.11 5.32 2.01 -1.26 -1.10 115.64 122.44 1d4y s THR 12 Ca 0.39 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.73 1d4y s THR 12 Cb 0.04 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1d4y s THR 12 CO 0.21 0.53 -0.21 0.27 -0.69 0.00 0.00 174.62 174.74 1d4y s ILE 13 N -0.40 1.76 -0.19 1.82 -4.36 -0.35 -1.87 121.20 117.61 1d4y s ILE 13 Ca 0.13 -1.60 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1d4y s ILE 13 Cb -0.12 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 41.98 1d4y s ILE 13 CO 0.02 -0.08 -0.15 -0.75 0.24 0.00 0.00 174.94 174.22 1d4y s LYS 14 N -2.02 3.12 -0.02 0.37 2.20 -0.34 -1.39 119.74 121.66 1d4y s LYS 14 Ca 0.08 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1d4y s LYS 14 Cb -0.09 -2.70 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1d4y s LYS 14 CO 0.05 -0.19 0.04 -1.50 -0.36 0.00 0.00 175.35 173.38 1d4y s ILE 15 N 1.32 -0.04 -1.31 5.43 2.07 -0.37 -1.57 121.20 126.72 1d4y s ILE 15 Ca 0.05 0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.43 1d4y s ILE 15 Cb -0.14 -0.08 0.01 0.00 0.13 0.00 0.00 42.46 42.38 1d4y s ILE 15 CO -0.09 0.06 0.12 0.61 -1.91 0.00 0.00 174.94 173.73 1d4y n GLY 16 N 3.89 -0.50 3.44 1.50 0.00 -1.26 -0.10 105.19 112.16 1d4y n GLY 16 Ca -0.24 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1d4y n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4y n GLY 17 N -0.97 1.72 3.87 -0.02 0.00 -1.26 -4.97 105.19 103.56 1d4y n GLY 17 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1d4y n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1d4y s GLN 18 N -0.09 3.73 -0.13 1.61 -2.07 0.86 -5.07 119.66 118.50 1d4y s GLN 18 Ca 0.00 0.13 -0.15 0.00 -1.82 0.00 0.00 55.36 53.52 1d4y s GLN 18 Cb 0.00 -2.97 -0.05 0.00 -1.09 0.00 0.00 33.01 28.91 1d4y s GLN 18 CO 0.00 0.54 0.36 -0.51 -1.32 0.00 0.00 175.29 174.36 1d4y s LEU 19 N -2.04 4.28 0.16 2.60 1.43 -1.26 -1.24 118.68 122.61 1d4y s LEU 19 Ca 0.34 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1d4y s LEU 19 Cb -0.14 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1d4y s LEU 19 CO 0.19 0.10 0.03 -0.54 0.23 0.00 0.00 176.35 176.35 1d4y s LYS 20 N 0.33 1.04 0.02 1.70 1.02 -0.48 -4.99 119.74 118.37 1d4y s LYS 20 Ca 0.20 -1.50 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 1d4y s LYS 20 Cb -0.14 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1d4y s LYS 20 CO 0.07 -0.19 0.17 -2.00 -0.92 0.00 0.00 175.35 172.48 1d4y s GLU 21 N -3.97 3.36 0.05 1.68 2.12 -1.26 -1.21 118.70 119.47 1d4y s GLU 21 Ca 0.24 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 55.11 1d4y s GLU 21 Cb 0.07 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.42 1d4y s GLU 21 CO 0.03 0.64 0.11 0.00 -0.54 0.00 0.00 175.26 175.50 1d4y s ALA 22 N -1.38 -0.02 -0.22 6.30 0.00 -0.26 -4.35 121.76 121.83 1d4y s ALA 22 Ca 0.30 -0.67 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 1d4y s ALA 22 Cb -0.13 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1d4y s ALA 22 CO 0.22 -0.38 0.11 -1.17 0.00 0.00 0.00 175.76 174.53 1d4y s LEU 23 N -2.47 3.84 -0.44 0.00 2.96 0.25 0.13 118.68 122.96 1d4y s LEU 23 Ca -0.00 0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 1d4y s LEU 23 Cb 0.02 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1d4y s LEU 23 CO -0.07 0.07 1.12 -0.76 -1.32 0.00 0.00 176.35 175.39 1d4y s LEU 24 N 0.98 3.72 -0.26 -0.68 1.43 -0.37 0.01 118.68 123.51 1d4y s LEU 24 Ca 0.05 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1d4y s LEU 24 Cb -0.14 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.61 1d4y s LEU 24 CO 0.03 -1.16 -0.05 -0.62 0.23 0.00 0.00 176.35 174.79 1d4y s ASP 25 N 2.25 4.20 0.27 2.29 3.68 -0.27 -4.83 116.67 124.27 1d4y s ASP 25 Ca 0.47 -1.42 0.25 0.00 2.13 0.00 0.00 52.55 53.99 1d4y s ASP 25 Cb -0.08 -1.36 0.93 0.00 -1.45 0.00 0.00 42.92 40.96 1d4y s ASP 25 CO 0.28 -0.25 1.75 0.71 0.13 0.00 0.00 175.17 177.79 1d4y h THR 26 N 6.69 0.00 -0.00 1.71 1.35 -1.94 -2.78 112.91 117.93 1d4y h THR 26 Ca -0.16 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1d4y h THR 26 Cb 1.05 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1d4y h THR 26 CO 0.45 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.17 1d4y n GLY 27 N 0.50 -1.13 3.67 5.82 0.00 -1.26 -4.80 105.19 107.99 1d4y n GLY 27 Ca 0.03 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1d4y n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4y s ALA 28 N -2.69 3.58 0.24 4.61 0.00 -1.05 -4.97 121.76 121.49 1d4y s ALA 28 Ca 0.22 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1d4y s ALA 28 Cb 0.19 -2.49 0.28 0.00 0.00 0.00 0.00 23.12 21.10 1d4y s ALA 28 CO 0.53 -0.25 1.62 -0.44 0.00 0.00 0.00 175.76 177.21 1d4y h ASP 29 N 7.44 0.50 -1.60 0.00 3.45 -1.88 0.14 116.42 124.47 1d4y h ASP 29 Ca -0.37 -0.22 -0.62 0.00 0.43 0.00 0.00 57.03 56.25 1d4y h ASP 29 Cb 1.17 -0.14 -0.13 0.00 -0.56 0.00 0.00 39.33 39.66 1d4y h ASP 29 CO 0.69 0.85 -0.57 -1.81 -1.57 0.00 0.00 179.24 176.84 1d4y s ASP 30 N -6.86 3.65 -0.26 6.45 -0.00 -1.26 -2.58 116.67 115.80 1d4y s ASP 30 Ca -0.07 -1.49 -0.10 0.00 -0.00 0.00 0.00 52.55 50.90 1d4y s ASP 30 Cb 0.13 0.03 -0.04 0.00 -0.00 0.00 0.00 42.92 43.03 1d4y s ASP 30 CO 0.81 -0.65 0.14 -0.89 -0.00 0.00 0.00 175.17 174.59 1d4y s THR 31 N -2.89 4.96 -0.12 -1.27 2.01 -1.26 -3.33 115.64 113.73 1d4y s THR 31 Ca 0.25 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1d4y s THR 31 Cb 0.06 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1d4y s THR 31 CO 0.12 0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.44 1d4y s VAL 32 N 1.63 1.96 0.11 3.82 1.01 -0.72 -0.76 120.40 127.45 1d4y s VAL 32 Ca 0.07 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1d4y s VAL 32 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1d4y s VAL 32 CO 0.08 0.53 -0.26 -0.63 0.00 0.00 0.00 175.10 174.82 1d4y s ILE 33 N 0.73 2.18 0.96 2.22 -1.09 0.11 -0.17 121.20 126.14 1d4y s ILE 33 Ca -0.10 -1.67 -0.11 0.00 -2.23 0.00 0.00 60.65 56.54 1d4y s ILE 33 Cb -0.16 -1.92 0.16 0.00 -1.58 0.00 0.00 42.46 38.96 1d4y s ILE 33 CO 0.01 0.12 1.09 -1.61 -1.23 0.00 0.00 174.94 173.32 1d4y s GLU 34 N -1.90 0.76 -0.08 2.79 2.02 -1.26 -1.54 118.70 119.49 1d4y s GLU 34 Ca 0.13 0.96 -0.39 0.00 0.02 0.00 0.00 54.97 55.69 1d4y s GLU 34 Cb -0.10 -1.74 -0.17 0.00 0.10 0.00 0.00 34.13 32.22 1d4y s GLU 34 CO 0.05 -2.63 1.48 -1.91 0.02 0.00 0.00 175.26 172.27 1d4y n GLU 35 N -4.17 1.00 -3.74 1.61 4.07 -1.25 -4.64 120.64 113.53 1d4y n GLU 35 Ca 0.07 0.36 -0.04 0.00 -0.06 0.00 0.00 57.16 57.49 1d4y n GLU 35 Cb 0.54 -2.00 -0.01 0.00 -0.06 0.00 0.00 31.44 29.91 1d4y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4y s MET 36 N 1.66 1.22 -0.24 5.31 0.23 -1.26 -5.08 119.30 121.14 1d4y s MET 36 Ca 0.91 -0.66 -0.16 0.00 -1.03 0.00 0.00 55.69 54.75 1d4y s MET 36 Cb -1.05 0.43 -0.03 0.00 -1.53 0.00 0.00 34.83 32.64 1d4y s MET 36 CO 0.56 -0.56 0.43 -1.54 -2.03 0.00 0.00 175.02 171.89 1d4y s SER 37 N -2.90 6.38 0.24 -1.18 1.04 -1.26 -5.06 113.70 110.97 1d4y s SER 37 Ca 0.11 0.45 0.11 0.00 0.48 0.00 0.00 55.95 57.10 1d4y s SER 37 Cb -0.02 -2.24 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 1d4y s SER 37 CO 0.02 -0.18 -0.12 -0.76 0.98 0.00 0.00 173.24 173.17 1d4y s LEU 38 N 1.89 2.83 0.75 2.42 1.43 -1.26 -4.99 118.68 121.75 1d4y s LEU 38 Ca 0.19 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1d4y s LEU 38 Cb -0.15 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1d4y s LEU 38 CO 0.09 0.05 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 1d4y s PRO 39 N -3.31 2.45 0.00 1.29 0.04 -1.26 -4.97 135.00 129.24 1d4y s PRO 39 Ca 0.28 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1d4y s PRO 39 Cb -0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1d4y s PRO 39 CO 0.16 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1d4y n GLY 40 N -2.67 -0.93 3.92 0.56 0.00 -1.26 -4.93 105.19 99.87 1d4y n GLY 40 Ca 0.07 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1d4y n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4y s ARG 41 N -1.08 3.47 0.25 1.61 0.52 -1.26 -5.10 118.95 117.37 1d4y s ARG 41 Ca 0.00 0.02 0.08 0.00 -0.52 0.00 0.00 55.73 55.31 1d4y s ARG 41 Cb 0.00 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1d4y s ARG 41 CO 0.00 -0.15 -0.12 1.67 0.02 0.00 0.00 175.30 176.72 1d4y s TRP 42 N -2.64 1.93 0.14 -0.53 1.48 -1.26 -4.67 118.94 113.38 1d4y s TRP 42 Ca 0.46 -0.58 0.10 0.00 -1.06 0.00 0.00 56.10 55.03 1d4y s TRP 42 Cb -0.10 -0.98 -0.04 0.00 -1.16 0.00 0.00 33.47 31.19 1d4y s TRP 42 CO 0.42 0.40 -0.25 0.15 -4.06 0.00 0.00 176.95 173.61 1d4y s LYS 43 N -3.65 1.37 0.45 3.25 1.02 -0.58 -4.92 119.74 116.68 1d4y s LYS 43 Ca 0.27 -1.35 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 1d4y s LYS 43 Cb 0.01 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1d4y s LYS 43 CO 0.11 0.41 0.98 -1.25 -0.92 0.00 0.00 175.35 174.68 1d4y s PRO 44 N -2.17 4.09 0.06 -1.68 0.04 -1.26 -0.49 135.00 133.60 1d4y s PRO 44 Ca 0.14 1.18 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1d4y s PRO 44 Cb -0.09 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1d4y s PRO 44 CO 0.06 -0.16 0.39 0.21 0.04 0.00 0.00 177.00 177.54 1d4y s LYS 45 N -3.23 0.93 -0.10 4.56 2.20 -0.86 -4.84 119.74 118.40 1d4y s LYS 45 Ca 0.63 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1d4y s LYS 45 Cb -0.11 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1d4y s LYS 45 CO 0.16 -0.33 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.09 1d4y s MET 46 N -2.79 1.54 0.07 4.03 -1.94 -1.26 -0.03 119.30 118.92 1d4y s MET 46 Ca -0.03 -0.29 0.09 0.00 -1.71 0.00 0.00 55.69 53.75 1d4y s MET 46 Cb -0.00 -1.51 -0.03 0.00 2.01 0.00 0.00 34.83 35.30 1d4y s MET 46 CO -0.05 -0.18 -0.25 0.96 -0.01 0.00 0.00 175.02 175.49 1d4y s ILE 47 N 1.39 2.05 0.10 2.53 -4.36 -0.23 -4.96 121.20 117.72 1d4y s ILE 47 Ca -0.01 -1.45 -0.06 0.00 -0.26 0.00 0.00 60.65 58.86 1d4y s ILE 47 Cb -0.14 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1d4y s ILE 47 CO -0.05 0.24 0.36 -0.83 0.24 0.00 0.00 174.94 174.91 1d4y s GLY 48 N -1.47 2.26 0.14 6.27 0.00 -1.26 -1.61 107.32 111.65 1d4y s GLY 48 Ca 0.11 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.32 1d4y s GLY 48 CO 0.03 -0.40 0.15 0.61 0.00 0.00 0.00 173.10 173.49 1d4y n GLY 49 N 0.47 3.26 0.30 0.20 0.00 -0.57 -5.00 105.19 103.85 1d4y n GLY 49 Ca -0.05 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.40 1d4y n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1d4y h ILE 50 N 1.44 0.56 -0.45 -0.61 5.03 -2.03 -2.77 117.51 118.68 1d4y h ILE 50 Ca -0.10 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1d4y h ILE 50 Cb 0.50 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.39 1d4y h ILE 50 CO 0.15 0.08 0.00 0.61 -0.68 0.00 0.00 178.15 178.30 1d4y n GLY 51 N -1.34 3.37 0.00 5.37 0.00 -1.26 -5.06 105.19 106.28 1d4y n GLY 51 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1d4y n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4y n GLY 52 N 0.23 0.72 3.79 -0.02 0.00 -1.05 -5.09 105.19 103.77 1d4y n GLY 52 Ca 0.24 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1d4y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4y s PHE 53 N -1.27 3.24 0.14 1.61 0.08 -1.26 -1.52 117.98 119.01 1d4y s PHE 53 Ca 0.00 0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.24 1d4y s PHE 53 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1d4y s PHE 53 CO 0.00 0.53 -0.14 0.96 -0.10 0.00 0.00 175.22 176.48 1d4y s ILE 54 N -1.34 1.40 -0.17 0.64 -4.36 -0.64 -4.98 121.20 111.76 1d4y s ILE 54 Ca 0.28 -1.86 -0.08 0.00 -0.26 0.00 0.00 60.65 58.73 1d4y s ILE 54 Cb -0.12 -1.68 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 1d4y s ILE 54 CO 0.20 -0.49 0.09 -0.75 0.24 0.00 0.00 174.94 174.23 1d4y s LYS 55 N -3.00 3.90 0.31 0.37 2.47 -1.26 -1.07 119.74 121.46 1d4y s LYS 55 Ca 0.13 -0.27 0.03 0.00 -1.56 0.00 0.00 55.97 54.29 1d4y s LYS 55 Cb -0.03 -3.25 -0.04 0.00 -1.46 0.00 0.00 37.83 33.04 1d4y s LYS 55 CO 0.03 0.39 0.12 0.14 0.16 0.00 0.00 175.35 176.20 1d4y s VAL 56 N 0.07 0.54 -0.21 4.02 -7.23 0.96 -4.70 120.40 113.85 1d4y s VAL 56 Ca 0.07 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 1d4y s VAL 56 Cb -0.12 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1d4y s VAL 56 CO 0.00 0.00 0.02 -0.13 -0.31 0.00 0.00 175.10 174.68 1d4y s ARG 57 N -3.87 3.68 -0.14 4.82 0.52 -0.61 -2.03 118.95 121.32 1d4y s ARG 57 Ca 0.35 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 54.89 1d4y s ARG 57 Cb 0.06 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 1d4y s ARG 57 CO 0.16 0.02 0.47 -1.14 0.02 0.00 0.00 175.30 174.82 1d4y s GLN 58 N 1.01 4.30 -0.11 3.54 0.74 0.36 -0.81 119.66 128.69 1d4y s GLN 58 Ca 0.02 0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.86 1d4y s GLN 58 Cb -0.14 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 1d4y s GLN 58 CO 0.02 0.10 -0.18 0.71 -0.55 0.00 0.00 175.29 175.39 1d4y s TYR 59 N 0.82 2.68 0.15 1.67 1.51 -0.43 -1.52 117.35 122.22 1d4y s TYR 59 Ca 0.25 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1d4y s TYR 59 Cb -0.15 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1d4y s TYR 59 CO 0.10 -0.25 0.28 -0.51 -1.11 0.00 0.00 175.55 174.05 1d4y s ASP 60 N 0.20 6.29 -1.44 2.29 -0.00 -1.26 -0.59 116.67 122.17 1d4y s ASP 60 Ca -0.11 0.15 -0.09 0.00 -0.00 0.00 0.00 52.55 52.50 1d4y s ASP 60 Cb -0.16 -1.88 0.03 0.00 -0.00 0.00 0.00 42.92 40.90 1d4y s ASP 60 CO 0.06 0.05 0.99 0.00 -0.00 0.00 0.00 175.17 176.27 1d4y n GLN 61 N -0.53 -6.61 -3.11 8.23 6.02 -1.05 -4.90 117.38 115.43 1d4y n GLN 61 Ca -0.07 0.79 -0.39 0.00 -0.01 0.00 0.00 57.00 57.31 1d4y n GLN 61 Cb 0.54 -5.75 -0.05 0.00 1.02 0.00 0.00 30.24 25.99 1d4y n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4y s ILE 62 N -3.27 4.86 -0.03 5.09 -1.09 -0.07 -4.71 121.20 121.97 1d4y s ILE 62 Ca 0.53 1.40 -0.21 0.00 -2.23 0.00 0.00 60.65 60.14 1d4y s ILE 62 Cb -0.25 -4.01 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1d4y s ILE 62 CO 0.66 0.38 0.63 -0.63 -1.23 0.00 0.00 174.94 174.75 1d4y s ILE 63 N -0.04 4.97 -0.04 2.92 1.01 -1.26 -2.25 121.20 126.51 1d4y s ILE 63 Ca 0.34 1.30 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 1d4y s ILE 63 Cb -0.19 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.33 1d4y s ILE 63 CO 0.19 0.35 0.10 -0.51 0.00 0.00 0.00 174.94 175.07 1d4y s ILE 64 N 0.23 -0.02 -0.24 2.92 2.07 0.15 -4.58 121.20 121.73 1d4y s ILE 64 Ca 0.33 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.51 1d4y s ILE 64 Cb -0.18 -0.15 -0.05 0.00 0.13 0.00 0.00 42.46 42.21 1d4y s ILE 64 CO 0.17 0.02 0.20 -0.70 -1.91 0.00 0.00 174.94 172.72 1d4y s GLU 65 N 0.37 4.06 -0.27 3.50 2.12 -0.61 -0.19 118.70 127.68 1d4y s GLU 65 Ca -0.03 -0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.12 1d4y s GLU 65 Cb -0.04 -3.56 0.07 0.00 0.26 0.00 0.00 34.13 30.86 1d4y s GLU 65 CO -0.01 0.01 -0.09 0.42 -0.54 0.00 0.00 175.26 175.05 1d4y s ILE 66 N 1.21 2.20 -1.51 -3.70 1.01 0.29 -1.19 121.20 119.50 1d4y s ILE 66 Ca 0.09 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.88 1d4y s ILE 66 Cb -0.14 -2.35 0.08 0.00 0.01 0.00 0.00 42.46 40.06 1d4y s ILE 66 CO 0.06 -0.11 0.94 0.00 0.00 0.00 0.00 174.94 175.82 1d4y n GLY 68 N -1.68 1.27 3.85 0.00 0.00 -1.26 -5.01 105.19 102.35 1d4y n GLY 68 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1d4y n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4y s HIS 69 N -3.67 3.66 -0.02 1.61 4.02 0.33 -5.05 115.29 116.17 1d4y s HIS 69 Ca 0.00 0.78 -0.25 0.00 1.02 0.00 0.00 55.06 56.61 1d4y s HIS 69 Cb 0.00 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.58 29.37 1d4y s HIS 69 CO 0.00 0.65 0.75 0.21 1.02 0.00 0.00 174.74 177.37 1d4y s LYS 70 N -0.94 4.46 0.10 1.40 2.20 -1.26 0.10 119.74 125.80 1d4y s LYS 70 Ca 0.20 0.99 0.06 0.00 -0.36 0.00 0.00 55.97 56.85 1d4y s LYS 70 Cb -0.14 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1d4y s LYS 70 CO 0.09 0.13 -0.14 0.00 -0.36 0.00 0.00 175.35 175.07 1d4y s ALA 71 N 0.52 1.35 -0.18 3.13 0.00 0.73 -4.84 121.76 122.47 1d4y s ALA 71 Ca 0.39 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1d4y s ALA 71 Cb -0.19 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 22.92 1d4y s ALA 71 CO 0.21 0.13 0.17 0.42 0.00 0.00 0.00 175.76 176.69 1d4y s ILE 72 N -1.74 -0.23 0.00 0.00 1.01 -1.26 -0.68 121.20 118.30 1d4y s ILE 72 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1d4y s ILE 72 Cb -0.07 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1d4y s ILE 72 CO 0.03 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.38 1d4y n GLY 73 N 5.31 1.71 3.72 6.18 0.00 -0.95 -4.87 105.19 116.28 1d4y n GLY 73 Ca -0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1d4y n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4y s THR 74 N -1.84 4.89 -0.07 2.61 2.01 -1.26 -0.90 115.64 121.09 1d4y s THR 74 Ca 0.00 1.79 0.03 0.00 0.31 0.00 0.00 61.69 63.82 1d4y s THR 74 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1d4y s THR 74 CO 0.00 0.23 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.31 1d4y s VAL 75 N 0.74 1.40 -0.15 3.82 1.01 0.25 -4.55 120.40 122.91 1d4y s VAL 75 Ca 0.45 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1d4y s VAL 75 Cb -0.20 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1d4y s VAL 75 CO 0.24 0.41 0.13 -0.76 0.00 0.00 0.00 175.10 175.12 1d4y s LEU 76 N 0.41 4.26 -0.15 3.92 1.43 0.06 -1.32 118.68 127.30 1d4y s LEU 76 Ca -0.12 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1d4y s LEU 76 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1d4y s LEU 76 CO 0.04 0.31 -0.14 -0.69 0.23 0.00 0.00 176.35 176.10 1d4y s VAL 77 N -0.42 2.81 -0.01 -1.59 1.01 0.01 -0.71 120.40 121.50 1d4y s VAL 77 Ca 0.12 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 1d4y s VAL 77 Cb -0.12 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1d4y s VAL 77 CO 0.01 0.52 0.71 0.61 0.00 0.00 0.00 175.10 176.95 1d4y n GLY 78 N 3.87 0.42 2.93 4.51 0.00 -0.59 -1.57 105.19 114.77 1d4y n GLY 78 Ca -0.19 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1d4y n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4y n PRO 79 N -0.51 1.63 -4.09 1.61 -0.04 -1.26 -3.84 135.00 128.50 1d4y n PRO 79 Ca 0.02 -1.65 -0.33 0.00 -0.04 0.00 0.00 63.50 61.50 1d4y n PRO 79 Cb 0.32 -2.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 1d4y n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4y s THR 80 N 4.48 4.80 0.44 0.52 -1.32 -1.26 -5.00 115.64 118.31 1d4y s THR 80 Ca 0.49 -0.35 0.24 0.00 -1.21 0.00 0.00 61.69 60.86 1d4y s THR 80 Cb 0.12 -3.19 0.27 0.00 -1.51 0.00 0.00 72.50 68.19 1d4y s THR 80 CO 0.07 0.37 2.06 1.55 -2.21 0.00 0.00 174.62 176.46 1d4y h PRO 81 N 4.16 0.00 -3.59 7.08 0.13 -1.99 -3.45 132.00 134.35 1d4y h PRO 81 Ca -0.49 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1d4y h PRO 81 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 1d4y h PRO 81 CO 0.62 0.13 -0.21 0.14 -0.23 0.00 0.00 178.00 178.46 1d4y s VAL 82 N -4.34 0.10 -0.00 1.56 -7.23 -1.26 -5.11 120.40 104.11 1d4y s VAL 82 Ca -0.03 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.97 1d4y s VAL 82 Cb 0.14 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1d4y s VAL 82 CO 0.61 -0.45 1.20 0.20 -0.31 0.00 0.00 175.10 176.34 1d4y s ASN 83 N -2.84 7.07 -0.19 4.85 0.01 -1.26 -4.77 114.94 117.82 1d4y s ASN 83 Ca 0.04 1.90 -0.03 0.00 -0.71 0.00 0.00 52.86 54.06 1d4y s ASN 83 Cb 0.03 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 1d4y s ASN 83 CO -0.11 -0.52 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.27 1d4y s ILE 84 N 1.69 3.47 -0.26 0.60 -1.09 0.77 -0.59 121.20 125.79 1d4y s ILE 84 Ca 0.57 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 58.42 1d4y s ILE 84 Cb -0.27 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1d4y s ILE 84 CO 0.25 0.46 0.13 -0.63 -1.23 0.00 0.00 174.94 173.92 1d4y s ILE 85 N 0.98 4.90 0.00 2.92 -1.09 0.10 -1.75 121.20 127.26 1d4y s ILE 85 Ca -0.00 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1d4y s ILE 85 Cb -0.15 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1d4y s ILE 85 CO 0.00 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1d4y n GLY 86 N 4.83 2.70 0.38 6.18 0.00 -1.21 -1.11 105.19 116.95 1d4y n GLY 86 Ca -0.15 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 43.87 1d4y n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4y h ARG 87 N 0.00 0.37 -0.37 1.61 3.08 -0.75 -2.23 114.38 116.09 1d4y h ARG 87 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1d4y h ARG 87 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1d4y h ARG 87 CO 0.00 0.25 0.19 -2.95 -1.07 0.00 0.00 179.97 176.39 1d4y h ASN 88 N 0.38 0.44 0.23 7.04 -1.07 -1.76 -2.48 115.58 118.37 1d4y h ASN 88 Ca 0.35 -0.03 -0.06 0.00 0.07 0.00 0.00 56.30 56.64 1d4y h ASN 88 Cb 0.84 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.96 1d4y h ASN 88 CO -0.10 0.37 -1.83 0.18 0.07 0.00 0.00 177.43 176.11 1d4y n LEU 89 N -4.43 0.21 -0.08 6.14 4.77 -0.89 -4.17 117.00 118.55 1d4y n LEU 89 Ca 0.02 0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1d4y n LEU 89 Cb 0.10 0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1d4y n LEU 89 CO 0.36 0.04 0.78 -0.07 -1.33 0.00 0.00 177.39 177.17 1d4y h LEU 90 N 0.00 0.74 -1.22 2.23 3.38 -1.21 -2.26 115.31 116.96 1d4y h LEU 90 Ca -0.08 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 1d4y h LEU 90 Cb 1.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1d4y h LEU 90 CO 0.01 0.89 -0.38 0.71 0.09 0.00 0.00 178.44 179.76 1d4y h THR 91 N 0.67 1.20 -0.22 0.22 1.35 -1.65 0.16 112.91 114.65 1d4y h THR 91 Ca 0.11 -1.34 -0.15 0.00 -0.55 0.00 0.00 66.41 64.48 1d4y h THR 91 Cb 0.61 1.73 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1d4y h THR 91 CO 0.04 0.37 -0.49 1.56 -0.25 0.00 0.00 175.52 176.76 1d4y h GLN 92 N 0.00 0.60 -0.04 4.72 4.20 -1.58 -2.77 115.11 120.24 1d4y h GLN 92 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1d4y h GLN 92 Cb 0.70 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1d4y h GLN 92 CO 0.05 0.95 0.00 0.44 -0.67 0.00 0.00 178.83 179.60 1d4y n ILE 93 N -3.99 0.04 -1.10 2.54 -5.35 -1.04 -4.91 119.36 105.54 1d4y n ILE 93 Ca -0.03 -0.15 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 1d4y n ILE 93 Cb 0.57 0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.50 1d4y n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4y n GLY 94 N 1.05 0.46 3.71 3.28 0.00 -0.90 -5.00 105.19 107.78 1d4y n GLY 94 Ca 0.19 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1d4y n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4y s THR 96 N 1.43 2.09 -0.15 0.00 -4.23 -1.26 -4.67 115.64 108.85 1d4y s THR 96 Ca 0.64 -2.28 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1d4y s THR 96 Cb -0.35 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1d4y s THR 96 CO 0.29 -0.48 0.03 -0.22 -0.54 0.00 0.00 174.62 173.70 1d4y s LEU 97 N -3.34 3.65 -0.01 4.79 2.96 -1.26 -5.11 118.68 120.36 1d4y s LEU 97 Ca 0.25 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1d4y s LEU 97 Cb -0.03 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1d4y s LEU 97 CO 0.10 0.24 -0.09 0.20 -1.32 0.00 0.00 176.35 175.49 1d4y s ASN 98 N -0.07 1.11 0.00 3.68 0.01 -1.26 -5.30 114.94 113.11 1d4y s ASN 98 Ca 0.05 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1d4y s ASN 98 Cb -0.12 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1d4y s ASN 98 CO 0.02 0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.92