#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2c s GLN 2 N 0.00 1.64 -0.23 0.54 0.74 -1.26 -5.11 119.66 115.97 1k2c s GLN 2 Ca 0.00 -0.37 -0.08 0.00 0.05 0.00 0.00 55.36 54.96 1k2c s GLN 2 Cb 0.00 -1.78 -0.04 0.00 1.10 0.00 0.00 33.01 32.30 1k2c s GLN 2 CO 0.00 -0.30 0.09 0.42 -0.55 0.00 0.00 175.29 174.95 1k2c s ILE 3 N 1.65 4.62 0.51 -2.34 1.01 -1.26 -5.09 121.20 120.30 1k2c s ILE 3 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1k2c s ILE 3 Cb -0.13 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1k2c s ILE 3 CO -0.08 0.36 0.81 0.42 0.00 0.00 0.00 174.94 176.45 1k2c s THR 4 N 1.27 4.61 -0.59 2.92 -4.23 -1.26 -5.03 115.64 113.33 1k2c s THR 4 Ca 0.05 0.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.87 1k2c s THR 4 Cb -0.15 -3.77 0.66 0.00 1.34 0.00 0.00 72.50 70.59 1k2c s THR 4 CO 0.04 -0.76 1.57 0.18 -0.54 0.00 0.00 174.62 175.11 1k2c n LEU 5 N -2.34 4.63 0.27 4.79 4.77 -1.26 -4.42 117.00 123.45 1k2c n LEU 5 Ca 0.02 -2.71 0.11 0.00 -0.03 0.00 0.00 56.01 53.40 1k2c n LEU 5 Cb 0.56 -0.57 0.74 0.00 -2.33 0.00 0.00 43.42 41.82 1k2c n LEU 5 CO 0.53 0.71 1.06 -0.50 -1.33 0.00 0.00 177.39 177.87 1k2c h TRP 6 N 3.22 0.00 -3.61 -1.77 4.06 -2.06 -3.42 115.95 112.36 1k2c h TRP 6 Ca 0.00 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.61 1k2c h TRP 6 Cb 1.53 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.55 1k2c h TRP 6 CO 0.73 0.03 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.41 1k2c s LYS 7 N -4.79 1.27 0.28 0.49 -2.85 -1.26 -5.11 119.74 107.77 1k2c s LYS 7 Ca -0.05 -1.64 -0.30 0.00 -1.00 0.00 0.00 55.97 52.98 1k2c s LYS 7 Cb 0.16 -0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 35.42 1k2c s LYS 7 CO 0.62 -0.16 1.48 0.54 0.10 0.00 0.00 175.35 177.93 1k2c n ARG 8 N -0.36 2.36 -2.60 1.78 1.74 -1.26 -4.87 116.66 113.44 1k2c n ARG 8 Ca -0.04 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1k2c n ARG 8 Cb 0.64 -2.54 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1k2c n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1k2c s PRO 9 N -0.68 3.64 -0.19 5.56 0.04 -1.26 -4.98 135.00 137.13 1k2c s PRO 9 Ca 0.64 -1.29 -0.09 0.00 0.04 0.00 0.00 61.00 60.30 1k2c s PRO 9 Cb -0.57 -5.33 -0.05 0.00 0.04 0.00 0.00 34.50 28.59 1k2c s PRO 9 CO 0.51 -2.17 0.13 -0.51 0.04 0.00 0.00 177.00 175.00 1k2c s LEU 10 N 4.64 4.22 0.27 -3.56 1.43 -1.26 -0.98 118.68 123.44 1k2c s LEU 10 Ca 0.46 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 1k2c s LEU 10 Cb -0.00 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1k2c s LEU 10 CO -0.08 0.21 -0.01 0.68 0.23 0.00 0.00 176.35 177.38 1k2c s VAL 11 N 0.18 1.31 -0.08 -1.59 -7.23 -0.52 -4.95 120.40 107.51 1k2c s VAL 11 Ca 0.09 -2.06 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1k2c s VAL 11 Cb -0.11 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 1k2c s VAL 11 CO -0.01 -0.26 0.47 -0.89 -0.31 0.00 0.00 175.10 174.10 1k2c s THR 12 N -3.23 5.13 0.21 5.32 2.01 -1.26 -0.75 115.64 123.06 1k2c s THR 12 Ca 0.30 0.95 0.09 0.00 0.31 0.00 0.00 61.69 63.34 1k2c s THR 12 Cb 0.05 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1k2c s THR 12 CO 0.11 0.39 -0.17 0.27 -0.69 0.00 0.00 174.62 174.53 1k2c s ILE 13 N 0.20 1.97 -0.15 1.82 -4.36 0.96 -1.61 121.20 120.03 1k2c s ILE 13 Ca 0.26 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1k2c s ILE 13 Cb -0.16 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1k2c s ILE 13 CO 0.11 -0.44 -0.14 -0.75 0.24 0.00 0.00 174.94 173.96 1k2c s LYS 14 N -3.31 2.30 -0.04 0.37 2.20 -0.44 -0.22 119.74 120.59 1k2c s LYS 14 Ca 0.22 -0.57 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1k2c s LYS 14 Cb -0.04 -2.12 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 1k2c s LYS 14 CO 0.09 -0.24 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.30 1k2c s ILE 15 N 1.48 0.45 -1.42 5.43 2.07 0.73 -1.47 121.20 128.47 1k2c s ILE 15 Ca 0.05 -0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.13 1k2c s ILE 15 Cb -0.13 -0.49 0.06 0.00 0.13 0.00 0.00 42.46 42.03 1k2c s ILE 15 CO -0.11 0.21 0.65 0.61 -1.91 0.00 0.00 174.94 174.39 1k2c n GLY 16 N 4.09 -0.50 2.30 1.50 0.00 -1.26 -0.68 105.19 110.63 1k2c n GLY 16 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1k2c n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2c n GLY 17 N -1.40 1.67 3.53 -0.02 0.00 -1.26 -5.03 105.19 102.68 1k2c n GLY 17 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1k2c n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k2c s GLN 18 N -0.23 3.19 -0.14 1.61 -0.21 0.14 -5.10 119.66 118.92 1k2c s GLN 18 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.64 1k2c s GLN 18 Cb 0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 1k2c s GLN 18 CO 0.00 0.45 0.54 -0.51 -2.12 0.00 0.00 175.29 173.65 1k2c s LEU 19 N -0.23 4.23 0.36 2.90 1.43 -1.26 -0.19 118.68 125.92 1k2c s LEU 19 Ca 0.03 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 1k2c s LEU 19 Cb -0.13 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 1k2c s LEU 19 CO 0.03 -0.10 0.22 -0.54 0.23 0.00 0.00 176.35 176.19 1k2c s LYS 20 N 1.06 1.81 -0.10 1.70 1.02 0.69 -4.97 119.74 120.96 1k2c s LYS 20 Ca 0.27 -2.07 0.03 0.00 0.02 0.00 0.00 55.97 54.22 1k2c s LYS 20 Cb -0.16 -0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1k2c s LYS 20 CO 0.11 -0.58 -0.19 -1.21 -0.92 0.00 0.00 175.35 172.56 1k2c s GLU 21 N -3.57 3.01 0.07 1.68 2.02 -1.26 -0.03 118.70 120.63 1k2c s GLU 21 Ca 0.34 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.57 1k2c s GLU 21 Cb 0.02 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 1k2c s GLU 21 CO 0.22 0.29 -0.08 0.00 0.02 0.00 0.00 175.26 175.72 1k2c s ALA 22 N 0.10 0.80 -0.17 5.21 0.00 0.07 -4.59 121.76 123.18 1k2c s ALA 22 Ca -0.09 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 50.62 1k2c s ALA 22 Cb -0.15 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1k2c s ALA 22 CO 0.06 -0.10 0.61 -1.17 0.00 0.00 0.00 175.76 175.15 1k2c s LEU 23 N -2.25 4.18 -0.25 0.00 2.96 0.06 -1.44 118.68 121.95 1k2c s LEU 23 Ca 0.00 0.86 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 1k2c s LEU 23 Cb -0.03 -2.87 -0.00 0.00 0.50 0.00 0.00 46.19 43.78 1k2c s LEU 23 CO -0.02 -0.21 1.24 -0.76 -1.32 0.00 0.00 176.35 175.28 1k2c s LEU 24 N 1.59 4.01 -0.30 -0.68 1.43 -0.15 -1.13 118.68 123.45 1k2c s LEU 24 Ca 0.29 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 1k2c s LEU 24 Cb -0.16 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.61 1k2c s LEU 24 CO 0.11 -0.91 0.06 -0.62 0.23 0.00 0.00 176.35 175.22 1k2c s ASP 25 N 2.24 4.20 0.35 2.29 -1.08 -0.78 -4.78 116.67 119.12 1k2c s ASP 25 Ca 0.53 -1.70 0.26 0.00 -0.52 0.00 0.00 52.55 51.12 1k2c s ASP 25 Cb -0.18 -1.15 1.24 0.00 -1.46 0.00 0.00 42.92 41.38 1k2c s ASP 25 CO 0.18 -0.37 1.79 0.71 0.52 0.00 0.00 175.17 177.99 1k2c h THR 26 N 6.56 0.00 -0.60 1.71 1.35 -1.94 -2.35 112.91 117.65 1k2c h THR 26 Ca -0.11 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1k2c h THR 26 Cb 1.03 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1k2c h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1k2c n GLY 27 N -0.61 1.78 3.51 5.82 0.00 -1.26 -4.83 105.19 109.60 1k2c n GLY 27 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1k2c n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2c s ALA 28 N -1.21 2.98 0.03 4.61 0.00 -0.88 -4.99 121.76 122.30 1k2c s ALA 28 Ca 0.40 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1k2c s ALA 28 Cb 0.21 -1.47 -0.24 0.00 0.00 0.00 0.00 23.12 21.61 1k2c s ALA 28 CO 0.27 0.30 0.94 -0.44 0.00 0.00 0.00 175.76 176.83 1k2c h ASP 29 N 6.38 0.17 -1.59 0.00 3.32 -1.89 -0.06 116.42 122.75 1k2c h ASP 29 Ca -0.34 -0.24 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 1k2c h ASP 29 Cb 1.19 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 1k2c h ASP 29 CO 0.60 1.20 -0.47 0.20 -1.72 0.00 0.00 179.24 179.05 1k2c s ASN 30 N -6.67 4.59 -0.15 6.45 -0.87 -1.26 -3.06 114.94 113.96 1k2c s ASN 30 Ca -0.05 -0.98 -0.04 0.00 -1.57 0.00 0.00 52.86 50.23 1k2c s ASN 30 Cb 0.08 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.25 40.77 1k2c s ASN 30 CO 0.83 -0.56 -0.04 -0.89 -2.57 0.00 0.00 177.10 173.88 1k2c s THR 31 N -2.56 3.85 -0.10 1.60 2.01 -1.26 -2.53 115.64 116.65 1k2c s THR 31 Ca 0.43 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1k2c s THR 31 Cb 0.02 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1k2c s THR 31 CO 0.24 0.49 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.78 1k2c s VAL 32 N 0.37 1.75 0.06 3.82 1.01 -0.52 -0.75 120.40 126.13 1k2c s VAL 32 Ca -0.04 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1k2c s VAL 32 Cb -0.14 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1k2c s VAL 32 CO 0.03 0.49 -0.25 -0.63 0.00 0.00 0.00 175.10 174.74 1k2c s ILE 33 N 0.57 2.03 0.65 2.22 -1.09 0.11 -0.35 121.20 125.34 1k2c s ILE 33 Ca -0.15 -1.40 -0.17 0.00 -2.23 0.00 0.00 60.65 56.70 1k2c s ILE 33 Cb -0.17 -1.75 -0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1k2c s ILE 33 CO 0.05 0.28 1.23 -0.70 -1.23 0.00 0.00 174.94 174.57 1k2c s GLU 34 N -1.35 2.58 -0.46 2.79 2.56 -1.26 -1.74 118.70 121.82 1k2c s GLU 34 Ca 0.11 1.88 -0.43 0.00 0.00 0.00 0.00 54.97 56.52 1k2c s GLU 34 Cb -0.10 -1.87 -0.18 0.00 2.00 0.00 0.00 34.13 33.98 1k2c s GLU 34 CO 0.03 -1.53 1.48 -1.91 -0.56 0.00 0.00 175.26 172.77 1k2c n GLU 35 N -2.05 0.00 -3.65 4.30 4.07 -0.96 -4.62 120.64 117.74 1k2c n GLU 35 Ca 0.14 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.11 1k2c n GLU 35 Cb 0.49 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 30.42 1k2c n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k2c s MET 36 N 2.80 0.77 -1.18 5.31 0.23 -1.26 -5.02 119.30 120.96 1k2c s MET 36 Ca 0.97 0.98 -0.22 0.00 -1.03 0.00 0.00 55.69 56.38 1k2c s MET 36 Cb -1.37 0.34 -0.08 0.00 -1.53 0.00 0.00 34.83 32.19 1k2c s MET 36 CO 0.75 -0.10 1.92 0.43 -2.03 0.00 0.00 175.02 175.98 1k2c n SER 37 N 2.97 3.22 -4.74 -1.18 7.64 -1.26 -4.95 113.62 115.32 1k2c n SER 37 Ca -0.15 -2.72 -0.40 0.00 1.01 0.00 0.00 58.87 56.62 1k2c n SER 37 Cb 0.56 -1.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.00 1k2c n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k2c s LEU 38 N 9.86 4.38 0.63 -3.43 1.43 -1.26 -5.04 118.68 125.25 1k2c s LEU 38 Ca 0.66 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.89 1k2c s LEU 38 Cb 0.01 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 1k2c s LEU 38 CO 0.13 -0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.60 1k2c s PRO 39 N 0.31 3.05 0.00 1.29 0.04 -1.26 -4.93 135.00 133.51 1k2c s PRO 39 Ca 0.37 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1k2c s PRO 39 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1k2c s PRO 39 CO 0.20 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1k2c n GLY 40 N -0.85 2.03 3.85 0.56 0.00 -1.26 -5.05 105.19 104.47 1k2c n GLY 40 Ca 0.09 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 1k2c n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k2c s ARG 41 N -1.78 3.89 0.07 1.61 0.52 -1.26 -5.08 118.95 116.92 1k2c s ARG 41 Ca 0.00 0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 55.87 1k2c s ARG 41 Cb 0.00 -2.20 0.03 0.00 0.52 0.00 0.00 34.95 33.30 1k2c s ARG 41 CO 0.00 -0.22 0.38 1.67 0.02 0.00 0.00 175.30 177.15 1k2c s TRP 42 N -2.59 -0.20 -0.04 -0.53 1.48 -1.26 -4.61 118.94 111.19 1k2c s TRP 42 Ca 0.57 0.05 0.07 0.00 -1.06 0.00 0.00 56.10 55.72 1k2c s TRP 42 Cb -0.10 0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 32.39 1k2c s TRP 42 CO 0.32 -0.60 -0.24 0.21 -4.06 0.00 0.00 176.95 172.59 1k2c s LYS 43 N -2.93 2.36 0.30 3.25 2.20 -0.50 -4.88 119.74 119.54 1k2c s LYS 43 Ca -0.02 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.41 1k2c s LYS 43 Cb 0.00 -2.14 -0.10 0.00 -1.51 0.00 0.00 37.83 34.08 1k2c s LYS 43 CO -0.06 0.49 1.31 -2.14 -0.36 0.00 0.00 175.35 174.59 1k2c s PRO 44 N -0.42 4.37 0.14 4.03 0.02 -1.26 0.17 135.00 142.05 1k2c s PRO 44 Ca 0.04 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 1k2c s PRO 44 Cb -0.12 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1k2c s PRO 44 CO 0.01 -0.20 0.34 0.21 -0.33 0.00 0.00 177.00 177.04 1k2c s LYS 45 N -1.36 1.11 -0.05 5.54 2.20 0.83 -4.85 119.74 123.15 1k2c s LYS 45 Ca 0.51 -0.94 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 1k2c s LYS 45 Cb -0.39 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1k2c s LYS 45 CO 0.49 -0.42 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.32 1k2c s MET 46 N -3.88 1.36 0.09 4.03 -1.94 -1.26 0.13 119.30 117.82 1k2c s MET 46 Ca 0.09 -0.32 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 1k2c s MET 46 Cb 0.02 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.65 1k2c s MET 46 CO -0.06 0.02 -0.17 0.96 -0.01 0.00 0.00 175.02 175.76 1k2c s ILE 47 N 0.63 1.38 0.37 2.53 -5.25 -0.76 -4.96 121.20 115.14 1k2c s ILE 47 Ca -0.12 -1.44 0.04 0.00 -0.99 0.00 0.00 60.65 58.14 1k2c s ILE 47 Cb -0.14 -1.31 -0.05 0.00 2.95 0.00 0.00 42.46 43.91 1k2c s ILE 47 CO 0.02 -0.17 0.08 -0.83 -1.79 0.00 0.00 174.94 172.24 1k2c s GLY 48 N -1.87 2.32 0.00 6.27 0.00 -1.26 -0.76 107.32 112.02 1k2c s GLY 48 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1k2c s GLY 48 CO 0.03 -1.86 0.00 0.61 0.00 0.00 0.00 173.10 171.89 1k2c n GLY 49 N -0.81 2.11 3.74 0.20 0.00 -0.55 -4.98 105.19 104.91 1k2c n GLY 49 Ca -0.05 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1k2c n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k2c s ILE 50 N -0.78 2.15 0.00 -0.61 -1.09 -1.26 -2.59 121.20 117.02 1k2c s ILE 50 Ca 0.00 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1k2c s ILE 50 Cb 0.00 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1k2c s ILE 50 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1k2c n GLY 51 N 2.68 3.07 0.00 6.18 0.00 -1.26 -4.92 105.19 110.94 1k2c n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k2c n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2c n GLY 52 N -1.06 0.90 3.56 -0.02 0.00 -1.07 -5.10 105.19 102.39 1k2c n GLY 52 Ca 0.00 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1k2c n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k2c s PHE 53 N -3.28 2.68 0.13 1.61 0.40 -1.26 -1.48 117.98 116.79 1k2c s PHE 53 Ca 0.00 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1k2c s PHE 53 Cb 0.00 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1k2c s PHE 53 CO 0.00 0.43 -0.17 0.96 0.70 0.00 0.00 175.22 177.14 1k2c s ILE 54 N -1.27 1.57 -0.04 0.64 -4.36 0.06 -4.95 121.20 112.84 1k2c s ILE 54 Ca 0.21 -1.73 -0.19 0.00 -0.26 0.00 0.00 60.65 58.68 1k2c s ILE 54 Cb -0.11 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 1k2c s ILE 54 CO 0.13 -0.30 0.53 -0.54 0.24 0.00 0.00 174.94 175.00 1k2c s LYS 55 N -2.52 4.27 0.21 0.37 1.02 -1.26 -1.82 119.74 120.01 1k2c s LYS 55 Ca 0.10 0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.70 1k2c s LYS 55 Cb -0.06 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1k2c s LYS 55 CO 0.05 0.34 0.07 0.14 -0.92 0.00 0.00 175.35 175.03 1k2c s VAL 56 N -0.05 0.49 -0.14 3.17 -7.23 0.12 -4.54 120.40 112.21 1k2c s VAL 56 Ca 0.28 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1k2c s VAL 56 Cb -0.17 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 1k2c s VAL 56 CO 0.14 -0.20 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.48 1k2c s ARG 57 N -4.01 3.35 -0.24 4.82 0.52 -0.51 -0.12 118.95 122.76 1k2c s ARG 57 Ca 0.32 -0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 54.71 1k2c s ARG 57 Cb 0.07 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 1k2c s ARG 57 CO 0.09 0.13 0.26 -1.14 0.02 0.00 0.00 175.30 174.66 1k2c s GLN 58 N 0.56 4.08 -0.11 3.54 0.74 0.13 -1.01 119.66 127.59 1k2c s GLN 58 Ca -0.08 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.24 1k2c s GLN 58 Cb -0.16 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1k2c s GLN 58 CO 0.04 -0.04 -0.14 0.71 -0.55 0.00 0.00 175.29 175.31 1k2c s TYR 59 N 1.33 2.78 0.31 1.67 2.02 -0.52 -1.40 117.35 123.54 1k2c s TYR 59 Ca 0.12 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1k2c s TYR 59 Cb -0.14 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1k2c s TYR 59 CO 0.07 -0.15 0.26 -0.51 -1.57 0.00 0.00 175.55 173.66 1k2c s ASP 60 N 0.14 5.33 -1.81 2.29 -0.00 -1.26 -1.41 116.67 119.96 1k2c s ASP 60 Ca -0.07 -0.44 0.00 0.00 -0.00 0.00 0.00 52.55 52.04 1k2c s ASP 60 Cb -0.15 -1.08 0.00 0.00 -0.00 0.00 0.00 42.92 41.69 1k2c s ASP 60 CO 0.05 -0.27 0.00 0.00 -0.00 0.00 0.00 175.17 174.95 1k2c n GLN 61 N -1.32 -1.32 -2.33 8.23 1.13 -1.23 -4.90 117.38 115.64 1k2c n GLN 61 Ca -0.03 1.10 -0.38 0.00 -1.94 0.00 0.00 57.00 55.74 1k2c n GLN 61 Cb 0.59 -5.38 -0.02 0.00 0.11 0.00 0.00 30.24 25.54 1k2c n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1k2c s ILE 62 N -2.56 3.25 -0.13 5.09 -1.09 -0.33 -4.64 121.20 120.79 1k2c s ILE 62 Ca 0.00 1.03 -0.05 0.00 -2.23 0.00 0.00 60.65 59.40 1k2c s ILE 62 Cb 0.00 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1k2c s ILE 62 CO 0.00 0.08 0.05 -0.63 -1.23 0.00 0.00 174.94 173.22 1k2c s ILE 63 N -1.44 4.74 0.01 2.92 1.01 -1.26 -0.78 121.20 126.39 1k2c s ILE 63 Ca 0.57 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 1k2c s ILE 63 Cb -0.29 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 1k2c s ILE 63 CO 0.37 0.56 0.10 -0.51 0.00 0.00 0.00 174.94 175.46 1k2c s ILE 64 N -0.47 0.09 -0.27 2.92 2.07 -0.47 -4.37 121.20 120.71 1k2c s ILE 64 Ca 0.10 -0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 58.56 1k2c s ILE 64 Cb -0.12 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.09 1k2c s ILE 64 CO 0.02 -0.41 -0.02 -0.70 -1.91 0.00 0.00 174.94 171.93 1k2c s GLU 65 N -1.42 2.85 -0.44 3.50 2.12 -0.55 -1.78 118.70 122.98 1k2c s GLU 65 Ca -0.15 -0.98 -0.12 0.00 0.36 0.00 0.00 54.97 54.08 1k2c s GLU 65 Cb -0.08 -3.11 0.07 0.00 0.26 0.00 0.00 34.13 31.27 1k2c s GLU 65 CO 0.01 -0.44 0.32 0.42 -0.54 0.00 0.00 175.26 175.03 1k2c s ILE 66 N 1.36 4.74 -1.44 -3.70 -1.09 0.25 -1.33 121.20 119.98 1k2c s ILE 66 Ca 0.00 -1.20 -0.05 0.00 -2.23 0.00 0.00 60.65 57.17 1k2c s ILE 66 Cb -0.17 -3.85 0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1k2c s ILE 66 CO -0.02 -0.52 0.64 0.00 -1.23 0.00 0.00 174.94 173.80 1k2c n ALA 67 N 5.06 -1.79 -0.94 9.38 0.00 -0.63 -0.97 120.51 130.62 1k2c n ALA 67 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1k2c n ALA 67 Cb 0.43 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1k2c n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k2c n GLY 68 N -1.75 0.78 3.45 0.00 0.00 -1.26 -5.03 105.19 101.37 1k2c n GLY 68 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1k2c n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k2c s HIS 69 N -3.05 2.84 0.16 1.61 4.02 -0.14 -5.11 115.29 115.61 1k2c s HIS 69 Ca 0.00 -0.38 -0.20 0.00 1.02 0.00 0.00 55.06 55.49 1k2c s HIS 69 Cb 0.00 -1.79 -0.08 0.00 -1.02 0.00 0.00 32.58 29.69 1k2c s HIS 69 CO 0.00 -0.01 0.67 0.15 1.02 0.00 0.00 174.74 176.57 1k2c s LYS 70 N -0.06 4.29 0.04 1.40 1.02 -1.26 0.85 119.74 126.01 1k2c s LYS 70 Ca -0.01 0.87 -0.15 0.00 0.02 0.00 0.00 55.97 56.70 1k2c s LYS 70 Cb -0.14 -3.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1k2c s LYS 70 CO 0.03 0.52 0.33 0.00 -0.92 0.00 0.00 175.35 175.31 1k2c s ALA 71 N -1.30 -0.76 -0.03 5.17 0.00 -0.73 -4.77 121.76 119.34 1k2c s ALA 71 Ca 0.36 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1k2c s ALA 71 Cb -0.19 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1k2c s ALA 71 CO 0.22 -0.40 -0.01 -1.50 0.00 0.00 0.00 175.76 174.06 1k2c s ILE 72 N -2.37 0.28 -0.22 0.00 2.07 -1.26 -1.36 121.20 118.34 1k2c s ILE 72 Ca -0.06 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1k2c s ILE 72 Cb -0.01 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.22 1k2c s ILE 72 CO -0.02 0.17 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 1k2c n GLY 73 N 4.10 -1.24 3.77 1.50 0.00 0.04 -4.91 105.19 108.46 1k2c n GLY 73 Ca -0.26 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 1k2c n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k2c s THR 74 N -2.88 3.48 -0.01 2.61 2.01 -1.26 -1.18 115.64 118.41 1k2c s THR 74 Ca 0.00 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.34 1k2c s THR 74 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1k2c s THR 74 CO 0.00 0.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.39 1k2c s VAL 75 N -1.36 0.35 -0.12 3.82 1.01 -0.50 -4.52 120.40 119.08 1k2c s VAL 75 Ca 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 1k2c s VAL 75 Cb -0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1k2c s VAL 75 CO 0.37 0.11 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 1k2c s LEU 76 N 0.07 3.31 -0.11 3.92 1.43 0.07 -1.44 118.68 125.93 1k2c s LEU 76 Ca -0.00 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1k2c s LEU 76 Cb -0.04 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1k2c s LEU 76 CO -0.00 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 175.95 1k2c s VAL 77 N -0.24 2.34 -0.02 -1.59 1.01 -0.18 0.07 120.40 121.79 1k2c s VAL 77 Ca 0.04 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1k2c s VAL 77 Cb -0.13 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.38 1k2c s VAL 77 CO 0.02 0.55 0.72 0.61 0.00 0.00 0.00 175.10 177.00 1k2c n GLY 78 N 3.57 0.37 2.43 4.51 0.00 -0.71 -1.43 105.19 113.93 1k2c n GLY 78 Ca -0.19 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1k2c n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k2c n PRO 79 N -0.52 2.85 -2.78 1.61 -0.04 -1.26 -2.27 135.00 132.59 1k2c n PRO 79 Ca 0.03 -1.77 -0.35 0.00 -0.04 0.00 0.00 63.50 61.37 1k2c n PRO 79 Cb 0.32 -2.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.13 1k2c n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1k2c s THR 80 N 2.66 4.27 -0.76 0.52 -1.32 -1.26 -4.94 115.64 114.81 1k2c s THR 80 Ca 0.55 1.62 0.22 0.00 -1.21 0.00 0.00 61.69 62.87 1k2c s THR 80 Cb 0.15 -3.77 0.21 0.00 -1.51 0.00 0.00 72.50 67.58 1k2c s THR 80 CO -0.04 -0.11 1.68 -0.81 -2.21 0.00 0.00 174.62 173.13 1k2c n PRO 81 N -0.11 0.12 -3.57 7.08 -0.04 -1.26 -4.81 135.00 132.40 1k2c n PRO 81 Ca 0.05 0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1k2c n PRO 81 Cb 0.52 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 32.22 1k2c n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k2c s SER 82 N -3.72 -0.66 0.14 3.54 0.15 -1.26 -5.13 113.70 106.75 1k2c s SER 82 Ca 0.08 0.93 -0.30 0.00 0.70 0.00 0.00 55.95 57.36 1k2c s SER 82 Cb 0.11 0.84 -0.08 0.00 -1.71 0.00 0.00 66.02 65.19 1k2c s SER 82 CO 0.41 -0.47 1.27 0.20 1.20 0.00 0.00 173.24 175.85 1k2c s ASN 83 N -0.64 6.97 -0.06 5.45 0.01 -1.26 -4.79 114.94 120.62 1k2c s ASN 83 Ca -0.07 2.24 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 1k2c s ASN 83 Cb -0.02 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.07 1k2c s ASN 83 CO 0.07 -0.50 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.46 1k2c s ILE 84 N 0.56 0.68 -0.38 0.60 1.01 0.53 -0.76 121.20 123.44 1k2c s ILE 84 Ca 0.58 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 1k2c s ILE 84 Cb -0.34 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1k2c s ILE 84 CO 0.33 0.27 0.33 -0.63 0.00 0.00 0.00 174.94 175.25 1k2c s ILE 85 N 1.09 5.20 0.42 2.92 -1.09 -0.28 -1.44 121.20 128.02 1k2c s ILE 85 Ca -0.08 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 57.98 1k2c s ILE 85 Cb -0.14 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1k2c s ILE 85 CO -0.01 -0.21 0.57 0.61 -1.23 0.00 0.00 174.94 174.67 1k2c n GLY 86 N 5.08 -0.59 0.23 6.18 0.00 -1.05 -1.86 105.19 113.18 1k2c n GLY 86 Ca -0.10 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.20 1k2c n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k2c h ARG 87 N 0.00 0.00 -0.79 1.61 3.08 -1.09 -2.20 114.38 115.00 1k2c h ARG 87 Ca -0.19 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.98 1k2c h ARG 87 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1k2c h ARG 87 CO 0.15 0.21 0.52 -2.95 -1.07 0.00 0.00 179.97 176.83 1k2c h ASN 88 N 0.00 0.59 0.09 7.04 -1.07 -1.81 -1.61 115.58 118.82 1k2c h ASN 88 Ca -0.00 0.02 -0.37 0.00 0.07 0.00 0.00 56.30 56.02 1k2c h ASN 88 Cb 0.41 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.53 1k2c h ASN 88 CO 0.03 0.34 -2.15 0.18 0.07 0.00 0.00 177.43 175.89 1k2c n LEU 89 N -4.51 2.69 -0.16 6.14 4.77 -1.15 -4.32 117.00 120.46 1k2c n LEU 89 Ca 0.14 0.10 0.16 0.00 -0.03 0.00 0.00 56.01 56.38 1k2c n LEU 89 Cb 0.39 -1.01 0.52 0.00 -2.33 0.00 0.00 43.42 40.99 1k2c n LEU 89 CO 0.32 0.87 1.21 -0.07 -1.33 0.00 0.00 177.39 178.39 1k2c h LEU 90 N 0.05 0.36 -1.04 2.23 3.38 -1.09 -0.25 115.31 118.95 1k2c h LEU 90 Ca -0.47 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1k2c h LEU 90 Cb 1.99 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1k2c h LEU 90 CO 0.03 0.19 -0.40 0.71 0.09 0.00 0.00 178.44 179.06 1k2c h THR 91 N 0.38 1.30 0.00 0.22 1.35 -1.49 -2.37 112.91 112.31 1k2c h THR 91 Ca 0.37 -1.47 -0.06 0.00 -0.55 0.00 0.00 66.41 64.70 1k2c h THR 91 Cb 0.87 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 1k2c h THR 91 CO -0.11 0.43 -0.27 1.56 -0.25 0.00 0.00 175.52 176.88 1k2c h GLN 92 N 0.13 0.00 -0.67 4.72 4.20 -1.24 -2.59 115.11 119.66 1k2c h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1k2c h GLN 92 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1k2c h GLN 92 CO 0.06 0.27 0.00 0.44 -0.67 0.00 0.00 178.83 178.92 1k2c n ILE 93 N -3.46 1.60 -3.02 2.54 -5.35 -1.15 -4.94 119.36 105.59 1k2c n ILE 93 Ca -0.00 -1.15 -0.21 0.00 -0.27 0.00 0.00 62.75 61.12 1k2c n ILE 93 Cb 0.44 0.23 0.04 0.00 -1.74 0.00 0.00 39.64 38.61 1k2c n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k2c n GLY 94 N 1.27 -0.46 3.78 3.28 0.00 -0.98 -4.99 105.19 107.09 1k2c n GLY 94 Ca 0.25 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 1k2c n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2c s ALA 95 N -3.16 3.16 0.09 4.61 0.00 -0.90 -5.05 121.76 120.50 1k2c s ALA 95 Ca 0.31 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1k2c s ALA 95 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1k2c s ALA 95 CO 0.38 -0.05 -0.05 0.95 0.00 0.00 0.00 175.76 176.99 1k2c s THR 96 N -1.62 0.55 -0.20 0.00 -4.23 -1.26 -4.83 115.64 104.05 1k2c s THR 96 Ca 0.54 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 1k2c s THR 96 Cb -0.21 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 1k2c s THR 96 CO 0.27 -0.89 0.03 -0.76 -0.54 0.00 0.00 174.62 172.73 1k2c s LEU 97 N -3.01 3.44 -0.01 4.79 1.43 -1.26 -5.10 118.68 118.96 1k2c s LEU 97 Ca 0.11 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1k2c s LEU 97 Cb 0.06 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1k2c s LEU 97 CO -0.06 0.08 -0.14 0.20 0.23 0.00 0.00 176.35 176.66 1k2c s ASN 98 N 0.94 1.63 0.00 2.29 0.01 -1.26 -5.30 114.94 113.25 1k2c s ASN 98 Ca 0.02 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 1k2c s ASN 98 Cb -0.14 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1k2c s ASN 98 CO 0.02 0.17 0.00 2.22 -1.51 0.00 0.00 177.10 178.00