#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f80 s GLN 2 N 0.00 3.32 -0.24 0.54 0.74 -1.26 -5.11 119.66 117.65 2f80 s GLN 2 Ca 0.00 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.72 2f80 s GLN 2 Cb 0.00 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.20 2f80 s GLN 2 CO 0.00 -0.16 -0.03 0.42 -0.55 0.00 0.00 175.29 174.97 2f80 s ILE 3 N 1.35 3.27 0.80 -2.34 1.01 -1.26 -5.09 121.20 118.93 2f80 s ILE 3 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 2f80 s ILE 3 Cb -0.14 -2.59 0.07 0.00 0.01 0.00 0.00 42.46 39.81 2f80 s ILE 3 CO -0.04 0.28 1.15 0.42 0.00 0.00 0.00 174.94 176.75 2f80 s THR 4 N 1.42 2.37 -0.17 2.92 -4.23 -1.26 -5.00 115.64 111.69 2f80 s THR 4 Ca 0.03 0.12 0.16 0.00 -1.18 0.00 0.00 61.69 60.82 2f80 s THR 4 Cb -0.16 -3.08 0.38 0.00 1.34 0.00 0.00 72.50 70.98 2f80 s THR 4 CO -0.03 -0.16 1.24 0.18 -0.54 0.00 0.00 174.62 175.31 2f80 n LEU 5 N -3.31 2.85 0.11 4.79 4.77 -1.26 -4.54 117.00 120.42 2f80 n LEU 5 Ca 0.08 -3.34 0.02 0.00 -0.03 0.00 0.00 56.01 52.74 2f80 n LEU 5 Cb 0.60 -0.49 0.36 0.00 -2.33 0.00 0.00 43.42 41.56 2f80 n LEU 5 CO 0.57 0.92 0.85 -0.50 -1.33 0.00 0.00 177.39 177.90 2f80 h TRP 6 N 0.61 0.25 -1.94 -1.77 4.06 -2.06 -3.44 115.95 111.67 2f80 h TRP 6 Ca 0.02 -0.03 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 2f80 h TRP 6 Cb 1.14 -0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 29.09 2f80 h TRP 6 CO 0.35 0.41 -0.65 0.15 -3.56 0.00 0.00 178.44 175.14 2f80 s LYS 7 N -4.64 1.83 0.24 0.49 -0.14 -1.26 -5.11 119.74 111.15 2f80 s LYS 7 Ca -0.05 -1.98 -0.31 0.00 -1.36 0.00 0.00 55.97 52.26 2f80 s LYS 7 Cb 0.15 -1.61 -0.12 0.00 -1.68 0.00 0.00 37.83 34.57 2f80 s LYS 7 CO 0.74 0.06 1.62 0.54 -0.76 0.00 0.00 175.35 177.54 2f80 n ARG 8 N -0.83 2.57 -2.61 1.68 1.74 -1.26 -4.86 116.66 113.09 2f80 n ARG 8 Ca -0.05 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.52 2f80 n ARG 8 Cb 0.65 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 2f80 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2f80 n PRO 9 N 2.97 3.22 -3.37 5.56 -0.04 -1.26 -4.95 135.00 137.13 2f80 n PRO 9 Ca 0.13 -3.35 -0.38 0.00 -0.04 0.00 0.00 63.50 59.85 2f80 n PRO 9 Cb 0.34 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 2f80 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f80 s LEU 10 N 3.73 4.48 0.14 1.53 1.43 -1.26 -1.23 118.68 127.50 2f80 s LEU 10 Ca 0.52 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 2f80 s LEU 10 Cb 0.03 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2f80 s LEU 10 CO 0.06 0.26 -0.01 0.68 0.23 0.00 0.00 176.35 177.58 2f80 s VAL 11 N -0.87 0.55 -0.05 -1.59 -7.23 0.44 -4.94 120.40 106.71 2f80 s VAL 11 Ca 0.27 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 2f80 s VAL 11 Cb -0.18 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 2f80 s VAL 11 CO 0.16 -0.59 0.66 -0.89 -0.31 0.00 0.00 175.10 174.13 2f80 s THR 12 N -3.73 5.00 0.24 5.32 2.01 -1.26 -0.35 115.64 122.87 2f80 s THR 12 Ca 0.20 1.38 0.12 0.00 0.31 0.00 0.00 61.69 63.69 2f80 s THR 12 Cb 0.06 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2f80 s THR 12 CO 0.01 0.30 -0.22 0.27 -0.69 0.00 0.00 174.62 174.30 2f80 s ILE 13 N 0.50 2.38 -0.14 1.82 -4.36 0.65 -1.76 121.20 120.29 2f80 s ILE 13 Ca 0.35 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 2f80 s ILE 13 Cb -0.18 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.35 2f80 s ILE 13 CO 0.18 -0.28 -0.19 -0.75 0.24 0.00 0.00 174.94 174.14 2f80 s LYS 14 N -3.13 2.71 -0.05 0.37 2.20 -0.35 -0.95 119.74 120.54 2f80 s LYS 14 Ca 0.25 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 55.10 2f80 s LYS 14 Cb -0.06 -2.29 0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2f80 s LYS 14 CO 0.12 -0.11 0.12 -1.50 -0.36 0.00 0.00 175.35 173.63 2f80 s ILE 15 N 1.09 -0.03 -1.62 5.43 2.07 -0.48 -1.32 121.20 126.34 2f80 s ILE 15 Ca -0.02 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2f80 s ILE 15 Cb -0.14 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.25 2f80 s ILE 15 CO -0.06 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2f80 n GLY 16 N 3.70 -0.08 2.09 1.50 0.00 -1.26 -0.53 105.19 110.62 2f80 n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2f80 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f80 n GLY 17 N -0.83 1.45 3.56 -0.02 0.00 -1.26 -5.02 105.19 103.07 2f80 n GLY 17 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2f80 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f80 s GLN 18 N -0.30 3.02 0.00 1.61 -0.21 0.31 -5.10 119.66 119.00 2f80 s GLN 18 Ca 0.00 -0.54 -0.22 0.00 0.02 0.00 0.00 55.36 54.62 2f80 s GLN 18 Cb 0.00 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 2f80 s GLN 18 CO 0.00 0.54 0.65 -0.51 -2.12 0.00 0.00 175.29 173.85 2f80 s LEU 19 N -0.47 4.41 0.12 2.90 1.43 -1.26 -1.38 118.68 124.43 2f80 s LEU 19 Ca 0.07 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.37 2f80 s LEU 19 Cb -0.12 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2f80 s LEU 19 CO 0.02 0.06 0.12 -0.54 0.23 0.00 0.00 176.35 176.24 2f80 s LYS 20 N -0.05 0.90 -0.12 1.70 1.02 -0.12 -4.99 119.74 118.08 2f80 s LYS 20 Ca 0.34 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 55.01 2f80 s LYS 20 Cb -0.19 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2f80 s LYS 20 CO 0.19 -0.27 0.14 -1.21 -0.92 0.00 0.00 175.35 173.28 2f80 s GLU 21 N -3.97 3.45 0.04 1.68 0.41 -1.26 -0.25 118.70 118.79 2f80 s GLU 21 Ca 0.16 -0.12 -0.10 0.00 -0.41 0.00 0.00 54.97 54.49 2f80 s GLU 21 Cb 0.06 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2f80 s GLU 21 CO -0.03 0.78 0.20 0.00 -0.49 0.00 0.00 175.26 175.72 2f80 s ALA 22 N -1.03 -0.38 -0.14 5.21 0.00 0.53 -4.56 121.76 121.39 2f80 s ALA 22 Ca 0.15 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 2f80 s ALA 22 Cb -0.12 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2f80 s ALA 22 CO 0.04 -0.36 0.55 -1.17 0.00 0.00 0.00 175.76 174.82 2f80 s LEU 23 N -2.06 4.23 -0.44 0.00 2.96 -0.11 -0.42 118.68 122.84 2f80 s LEU 23 Ca -0.05 0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 54.41 2f80 s LEU 23 Cb -0.01 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.91 2f80 s LEU 23 CO -0.04 -0.11 1.27 -0.76 -1.32 0.00 0.00 176.35 175.40 2f80 s LEU 24 N 1.11 3.62 -0.35 -0.68 1.43 -0.36 -0.40 118.68 123.05 2f80 s LEU 24 Ca 0.28 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 54.07 2f80 s LEU 24 Cb -0.16 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2f80 s LEU 24 CO 0.11 -1.33 0.09 -0.62 0.23 0.00 0.00 176.35 174.84 2f80 s ASP 25 N 3.16 4.41 0.40 2.29 -1.08 -0.21 -4.80 116.67 120.84 2f80 s ASP 25 Ca 0.54 -2.06 0.29 0.00 -0.52 0.00 0.00 52.55 50.80 2f80 s ASP 25 Cb -0.11 -1.33 1.26 0.00 -1.46 0.00 0.00 42.92 41.29 2f80 s ASP 25 CO 0.32 -0.38 1.86 0.71 0.52 0.00 0.00 175.17 178.20 2f80 h THR 26 N 6.41 0.00 -0.01 1.71 1.35 -1.94 -2.47 112.91 117.96 2f80 h THR 26 Ca -0.07 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2f80 h THR 26 Cb 1.00 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2f80 h THR 26 CO 0.51 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.32 2f80 n GLY 27 N -0.20 -0.65 3.52 5.82 0.00 -1.26 -4.80 105.19 107.61 2f80 n GLY 27 Ca 0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 2f80 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f80 s ALA 28 N -2.24 3.29 0.20 4.61 0.00 -0.93 -5.00 121.76 121.68 2f80 s ALA 28 Ca 0.35 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2f80 s ALA 28 Cb 0.21 -2.11 0.12 0.00 0.00 0.00 0.00 23.12 21.34 2f80 s ALA 28 CO 0.42 -0.34 1.75 -0.44 0.00 0.00 0.00 175.76 177.15 2f80 h ASP 29 N 7.88 1.01 -4.01 0.00 3.32 -1.87 0.60 116.42 123.36 2f80 h ASP 29 Ca -0.37 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.16 2f80 h ASP 29 Cb 1.18 -0.26 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 2f80 h ASP 29 CO 0.60 0.93 -0.72 0.20 -1.72 0.00 0.00 179.24 178.53 2f80 s ASN 30 N -6.29 1.77 0.12 6.45 0.01 -1.26 -2.49 114.94 113.24 2f80 s ASN 30 Ca -0.12 -0.98 -0.30 0.00 -0.71 0.00 0.00 52.86 50.74 2f80 s ASN 30 Cb 0.15 -0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.73 2f80 s ASN 30 CO 0.83 -0.32 1.17 -0.89 -1.51 0.00 0.00 177.10 176.39 2f80 s THR 31 N -3.19 3.88 -0.07 1.60 2.01 -1.26 -4.05 115.64 114.56 2f80 s THR 31 Ca 0.15 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 2f80 s THR 31 Cb 0.02 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2f80 s THR 31 CO 0.01 0.18 0.01 -0.69 -0.69 0.00 0.00 174.62 173.43 2f80 s VAL 32 N 0.46 0.33 0.06 3.82 1.01 -0.44 -1.30 120.40 124.33 2f80 s VAL 32 Ca 0.55 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.74 2f80 s VAL 32 Cb -0.30 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2f80 s VAL 32 CO 0.32 0.25 -0.16 -0.63 0.00 0.00 0.00 175.10 174.89 2f80 s ILE 33 N 1.94 2.96 0.81 2.22 -1.09 0.40 -0.70 121.20 127.73 2f80 s ILE 33 Ca 0.04 -1.20 -0.14 0.00 -2.23 0.00 0.00 60.65 57.11 2f80 s ILE 33 Cb -0.12 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.49 2f80 s ILE 33 CO -0.05 0.28 0.73 -0.62 -1.23 0.00 0.00 174.94 174.05 2f80 n GLU 34 N 1.33 0.13 -1.65 2.79 1.02 -1.26 -1.59 120.64 121.41 2f80 n GLU 34 Ca -0.16 0.10 -0.49 0.00 -0.02 0.00 0.00 57.16 56.59 2f80 n GLU 34 Cb 0.52 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.85 2f80 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2f80 n GLU 35 N -1.82 1.74 -3.49 3.49 -0.58 -1.22 -4.59 120.64 114.18 2f80 n GLU 35 Ca 0.10 0.63 -0.11 0.00 -0.42 0.00 0.00 57.16 57.36 2f80 n GLU 35 Cb 0.51 -2.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.00 2f80 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f80 s MET 36 N 1.28 1.35 0.20 3.49 0.23 -1.26 -5.03 119.30 119.56 2f80 s MET 36 Ca 0.83 -0.55 -0.19 0.00 -1.03 0.00 0.00 55.69 54.75 2f80 s MET 36 Cb -0.80 0.59 -0.08 0.00 -1.53 0.00 0.00 34.83 33.01 2f80 s MET 36 CO 0.44 -0.60 0.70 -1.54 -2.03 0.00 0.00 175.02 172.00 2f80 s SER 37 N -2.77 7.06 0.08 -1.18 1.04 -1.26 -5.03 113.70 111.64 2f80 s SER 37 Ca 0.03 1.39 0.04 0.00 0.48 0.00 0.00 55.95 57.88 2f80 s SER 37 Cb -0.02 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2f80 s SER 37 CO -0.10 0.07 -0.10 -0.76 0.98 0.00 0.00 173.24 173.33 2f80 s LEU 38 N -1.86 2.35 0.60 2.42 1.43 -1.26 -4.95 118.68 117.41 2f80 s LEU 38 Ca 0.41 -0.72 -0.13 0.00 -1.03 0.00 0.00 54.13 52.66 2f80 s LEU 38 Cb -0.17 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2f80 s LEU 38 CO 0.21 -0.22 1.02 -2.16 0.23 0.00 0.00 176.35 175.44 2f80 s PRO 39 N -2.34 3.60 0.05 1.29 0.04 -1.26 -4.95 135.00 131.43 2f80 s PRO 39 Ca 0.01 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2f80 s PRO 39 Cb -0.06 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2f80 s PRO 39 CO 0.00 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2f80 n GLY 40 N -2.19 -3.39 3.78 0.56 0.00 -1.26 -4.95 105.19 97.74 2f80 n GLY 40 Ca 0.07 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2f80 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f80 s ARG 41 N -0.84 3.06 0.17 1.61 3.00 -1.26 -5.08 118.95 119.61 2f80 s ARG 41 Ca 0.00 1.35 -0.07 0.00 0.00 0.00 0.00 55.73 57.01 2f80 s ARG 41 Cb 0.00 -1.99 -0.02 0.00 0.00 0.00 0.00 34.95 32.95 2f80 s ARG 41 CO 0.00 -1.04 0.25 1.67 0.00 0.00 0.00 175.30 176.18 2f80 s TRP 42 N -2.31 0.55 0.04 -0.53 1.48 -1.26 -4.43 118.94 112.48 2f80 s TRP 42 Ca 0.66 -0.90 -0.03 0.00 -1.06 0.00 0.00 56.10 54.77 2f80 s TRP 42 Cb -0.19 -0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 31.95 2f80 s TRP 42 CO 0.38 -0.70 0.04 -1.59 -4.06 0.00 0.00 176.95 171.01 2f80 s LYS 43 N -4.01 0.53 0.49 3.25 -2.85 -0.76 -4.92 119.74 111.47 2f80 s LYS 43 Ca 0.21 -0.82 -0.20 0.00 -1.00 0.00 0.00 55.97 54.17 2f80 s LYS 43 Cb 0.04 0.20 -0.08 0.00 -2.06 0.00 0.00 37.83 35.92 2f80 s LYS 43 CO 0.02 -0.12 1.03 -1.25 0.10 0.00 0.00 175.35 175.14 2f80 s PRO 44 N -2.60 3.82 0.03 1.78 0.04 -1.26 -0.42 135.00 136.38 2f80 s PRO 44 Ca -0.05 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.20 2f80 s PRO 44 Cb -0.01 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2f80 s PRO 44 CO -0.05 -0.41 0.19 0.21 0.04 0.00 0.00 177.00 176.98 2f80 s LYS 45 N -3.33 0.64 -0.12 4.56 2.20 -0.57 -4.85 119.74 118.28 2f80 s LYS 45 Ca 0.66 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2f80 s LYS 45 Cb -0.15 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 2f80 s LYS 45 CO 0.21 -0.18 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.30 2f80 s MET 46 N -2.20 3.32 0.03 4.03 -1.94 -1.26 -0.82 119.30 120.45 2f80 s MET 46 Ca -0.08 -0.60 0.08 0.00 -1.71 0.00 0.00 55.69 53.38 2f80 s MET 46 Cb -0.03 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 34.07 2f80 s MET 46 CO -0.02 0.34 -0.22 0.96 -0.01 0.00 0.00 175.02 176.07 2f80 s ILE 47 N 0.06 1.80 0.11 2.53 -4.36 -0.42 -4.95 121.20 115.97 2f80 s ILE 47 Ca -0.02 -1.18 0.09 0.00 -0.26 0.00 0.00 60.65 59.27 2f80 s ILE 47 Cb -0.14 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 2f80 s ILE 47 CO 0.04 0.31 -0.23 -0.83 0.24 0.00 0.00 174.94 174.47 2f80 s GLY 48 N -1.03 1.37 0.00 6.27 0.00 -1.26 -0.70 107.32 111.97 2f80 s GLY 48 Ca 0.09 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2f80 s GLY 48 CO 0.01 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.39 2f80 n GLY 49 N 0.99 3.46 0.39 0.20 0.00 0.06 -4.97 105.19 105.33 2f80 n GLY 49 Ca -0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 2f80 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2f80 h ILE 50 N 0.00 0.12 -0.64 -0.61 2.04 -2.04 -2.14 117.51 114.25 2f80 h ILE 50 Ca 0.00 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 2f80 h ILE 50 Cb 0.00 0.12 -0.13 0.00 -0.74 0.00 0.00 36.82 36.07 2f80 h ILE 50 CO 0.00 0.00 0.29 0.61 0.00 0.00 0.00 178.15 179.05 2f80 n GLY 51 N -1.42 3.39 0.00 5.37 0.00 -1.26 -5.04 105.19 106.23 2f80 n GLY 51 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2f80 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f80 n GLY 52 N -0.22 -0.11 3.65 -0.02 0.00 -0.81 -5.06 105.19 102.63 2f80 n GLY 52 Ca 0.36 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 2f80 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f80 s PHE 53 N 0.00 2.87 0.12 1.61 0.40 -1.26 -0.76 117.98 120.96 2f80 s PHE 53 Ca 0.00 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 2f80 s PHE 53 Cb 0.00 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 2f80 s PHE 53 CO 0.00 0.48 -0.20 0.96 0.70 0.00 0.00 175.22 177.17 2f80 s ILE 54 N -1.48 1.74 -0.06 0.64 -4.36 0.12 -4.96 121.20 112.85 2f80 s ILE 54 Ca 0.26 -1.66 -0.19 0.00 -0.26 0.00 0.00 60.65 58.79 2f80 s ILE 54 Cb -0.10 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 2f80 s ILE 54 CO 0.17 -0.15 0.53 -0.75 0.24 0.00 0.00 174.94 174.98 2f80 s LYS 55 N -2.20 4.29 0.23 0.37 2.20 -1.26 -1.30 119.74 122.07 2f80 s LYS 55 Ca 0.09 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.33 2f80 s LYS 55 Cb -0.09 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2f80 s LYS 55 CO 0.05 0.29 -0.04 0.14 -0.36 0.00 0.00 175.35 175.43 2f80 s VAL 56 N 0.15 1.24 -0.21 4.02 -7.23 -0.00 -4.41 120.40 113.96 2f80 s VAL 56 Ca 0.28 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.26 2f80 s VAL 56 Cb -0.17 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2f80 s VAL 56 CO 0.14 -0.40 0.21 -0.13 -0.31 0.00 0.00 175.10 174.61 2f80 s ARG 57 N -3.80 4.14 -0.33 4.82 0.52 0.01 -1.52 118.95 122.79 2f80 s ARG 57 Ca 0.26 -0.13 -0.16 0.00 -0.52 0.00 0.00 55.73 55.19 2f80 s ARG 57 Cb 0.04 -3.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 2f80 s ARG 57 CO 0.08 0.12 0.38 -1.14 0.02 0.00 0.00 175.30 174.76 2f80 s GLN 58 N 0.87 3.63 -0.14 3.54 0.74 0.44 -0.72 119.66 128.01 2f80 s GLN 58 Ca 0.11 -0.33 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 2f80 s GLN 58 Cb -0.13 -3.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2f80 s GLN 58 CO 0.04 -0.51 -0.02 0.71 -0.55 0.00 0.00 175.29 174.96 2f80 s TYR 59 N 2.07 3.08 0.26 1.67 1.51 -0.39 -1.83 117.35 123.73 2f80 s TYR 59 Ca 0.13 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.12 2f80 s TYR 59 Cb -0.16 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.73 2f80 s TYR 59 CO 0.12 0.11 0.36 -0.51 -1.11 0.00 0.00 175.55 174.51 2f80 s ASP 60 N 0.08 6.13 -1.33 2.29 1.01 -1.26 -1.22 116.67 122.36 2f80 s ASP 60 Ca 0.01 -0.04 -0.00 0.00 0.71 0.00 0.00 52.55 53.23 2f80 s ASP 60 Cb -0.13 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.14 2f80 s ASP 60 CO 0.02 -0.15 0.65 0.00 0.21 0.00 0.00 175.17 175.90 2f80 n GLN 61 N -1.43 -4.58 -3.82 8.23 6.02 -1.19 -4.90 117.38 115.70 2f80 n GLN 61 Ca -0.07 0.57 -0.36 0.00 -0.01 0.00 0.00 57.00 57.13 2f80 n GLN 61 Cb 0.57 -5.05 -0.07 0.00 1.02 0.00 0.00 30.24 26.72 2f80 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2f80 s ILE 62 N -3.72 5.46 -0.09 5.09 -1.09 0.27 -4.80 121.20 122.32 2f80 s ILE 62 Ca 0.02 0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.46 2f80 s ILE 62 Cb -0.01 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 2f80 s ILE 62 CO 0.83 0.55 0.47 -0.63 -1.23 0.00 0.00 174.94 174.92 2f80 s ILE 63 N -0.47 5.13 0.00 2.92 1.01 -1.26 -1.50 121.20 127.04 2f80 s ILE 63 Ca 0.12 0.94 0.05 0.00 0.00 0.00 0.00 60.65 61.76 2f80 s ILE 63 Cb -0.12 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2f80 s ILE 63 CO 0.02 0.39 -0.16 -0.63 0.00 0.00 0.00 174.94 174.55 2f80 s ILE 64 N 0.22 1.25 -0.28 2.92 1.01 0.02 -4.50 121.20 121.83 2f80 s ILE 64 Ca 0.26 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2f80 s ILE 64 Cb -0.16 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2f80 s ILE 64 CO 0.11 0.27 0.38 -0.70 0.00 0.00 0.00 174.94 175.00 2f80 s GLU 65 N -0.58 3.94 -0.22 2.79 2.56 -0.44 -1.10 118.70 125.65 2f80 s GLU 65 Ca 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 54.97 55.02 2f80 s GLU 65 Cb -0.07 -3.68 0.04 0.00 2.00 0.00 0.00 34.13 32.43 2f80 s GLU 65 CO -0.00 -0.33 -0.13 0.42 -0.56 0.00 0.00 175.26 174.66 2f80 s ILE 66 N 2.08 1.95 -1.33 -3.70 1.01 0.23 -1.22 121.20 120.23 2f80 s ILE 66 Ca 0.15 -1.24 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 2f80 s ILE 66 Cb -0.16 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.39 2f80 s ILE 66 CO 0.10 0.18 0.49 0.00 0.00 0.00 0.00 174.94 175.71 2f80 n ALA 67 N 4.57 -1.03 -0.70 9.38 0.00 -0.72 -0.15 120.51 131.86 2f80 n ALA 67 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2f80 n ALA 67 Cb 0.46 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2f80 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f80 n GLY 68 N -1.23 0.74 3.33 0.00 0.00 -1.26 -5.03 105.19 101.73 2f80 n GLY 68 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2f80 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f80 s HIS 69 N -2.64 2.83 0.12 1.61 4.02 0.79 -5.10 115.29 116.92 2f80 s HIS 69 Ca 0.00 -0.81 -0.30 0.00 1.02 0.00 0.00 55.06 54.97 2f80 s HIS 69 Cb 0.00 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.58 29.60 2f80 s HIS 69 CO 0.00 -0.34 1.00 0.21 1.02 0.00 0.00 174.74 176.63 2f80 s LYS 70 N 0.66 4.66 0.02 1.40 2.20 -1.26 0.76 119.74 128.18 2f80 s LYS 70 Ca -0.07 1.53 -0.01 0.00 -0.36 0.00 0.00 55.97 57.06 2f80 s LYS 70 Cb -0.15 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 2f80 s LYS 70 CO 0.02 0.16 -0.01 0.00 -0.36 0.00 0.00 175.35 175.16 2f80 s ALA 71 N 0.00 0.12 0.00 3.13 0.00 -0.26 -4.82 121.76 119.94 2f80 s ALA 71 Ca 0.48 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2f80 s ALA 71 Cb -0.25 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2f80 s ALA 71 CO 0.31 -0.19 -0.15 -1.50 0.00 0.00 0.00 175.76 174.23 2f80 s ILE 72 N -1.74 1.20 -2.07 0.00 2.07 -1.26 -0.80 121.20 118.61 2f80 s ILE 72 Ca -0.13 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 2f80 s ILE 72 Cb -0.08 -1.02 0.00 0.00 0.13 0.00 0.00 42.46 41.49 2f80 s ILE 72 CO -0.02 0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.90 2f80 n GLY 73 N 2.52 -1.00 3.75 1.50 0.00 -0.56 -4.91 105.19 106.49 2f80 n GLY 73 Ca -0.15 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2f80 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f80 s THR 74 N -3.00 4.02 -0.08 2.61 2.01 -1.26 -0.57 115.64 119.37 2f80 s THR 74 Ca 0.00 1.93 0.01 0.00 0.31 0.00 0.00 61.69 63.94 2f80 s THR 74 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.30 2f80 s THR 74 CO 0.00 0.42 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 2f80 s VAL 75 N -0.87 0.99 -0.07 3.82 1.01 -0.36 -4.44 120.40 120.48 2f80 s VAL 75 Ca 0.44 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2f80 s VAL 75 Cb -0.27 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2f80 s VAL 75 CO 0.34 0.34 0.35 -0.76 0.00 0.00 0.00 175.10 175.36 2f80 s LEU 76 N 1.08 4.39 -0.11 3.92 1.43 -0.42 -1.27 118.68 127.70 2f80 s LEU 76 Ca -0.07 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 2f80 s LEU 76 Cb -0.14 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.61 2f80 s LEU 76 CO -0.01 0.25 -0.18 -0.69 0.23 0.00 0.00 176.35 175.95 2f80 s VAL 77 N -0.52 1.70 -1.05 -1.59 1.01 0.10 -0.45 120.40 119.61 2f80 s VAL 77 Ca 0.21 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2f80 s VAL 77 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2f80 s VAL 77 CO 0.09 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2f80 n GLY 78 N 3.98 -1.28 2.29 4.51 0.00 -0.62 -0.81 105.19 113.25 2f80 n GLY 78 Ca -0.20 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 2f80 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f80 n PRO 79 N -0.01 2.90 -2.67 1.61 -0.04 -1.26 -3.38 135.00 132.15 2f80 n PRO 79 Ca 0.00 -1.71 -0.38 0.00 -0.04 0.00 0.00 63.50 61.37 2f80 n PRO 79 Cb 0.00 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 2f80 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f80 s THR 80 N 2.10 3.94 -0.37 0.52 -1.32 -1.26 -4.96 115.64 114.28 2f80 s THR 80 Ca 0.62 1.73 0.26 0.00 -1.21 0.00 0.00 61.69 63.10 2f80 s THR 80 Cb 0.20 -4.02 0.29 0.00 -1.51 0.00 0.00 72.50 67.45 2f80 s THR 80 CO -0.04 0.25 1.78 1.55 -2.21 0.00 0.00 174.62 175.95 2f80 h PRO 81 N 3.43 0.00 -3.34 7.08 0.13 -1.99 -3.43 132.00 133.88 2f80 h PRO 81 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 2f80 h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2f80 h PRO 81 CO 0.66 0.00 -0.42 0.54 -0.23 0.00 0.00 178.00 178.54 2f80 s VAL 82 N -3.38 0.07 0.04 1.56 0.11 -1.26 -5.09 120.40 112.45 2f80 s VAL 82 Ca 0.04 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 2f80 s VAL 82 Cb 0.09 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.41 2f80 s VAL 82 CO 0.45 -0.32 1.25 0.20 -3.33 0.00 0.00 175.10 173.35 2f80 s ASN 83 N -1.26 7.02 -0.10 3.54 0.01 -1.26 -4.70 114.94 118.18 2f80 s ASN 83 Ca -0.13 2.02 0.02 0.00 -0.71 0.00 0.00 52.86 54.06 2f80 s ASN 83 Cb -0.06 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2f80 s ASN 83 CO 0.02 -0.55 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.27 2f80 s ILE 84 N 1.47 1.61 -0.36 0.60 1.01 0.12 -0.93 121.20 124.72 2f80 s ILE 84 Ca 0.59 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 2f80 s ILE 84 Cb -0.30 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 2f80 s ILE 84 CO 0.28 0.46 0.49 -0.63 0.00 0.00 0.00 174.94 175.54 2f80 s ILE 85 N 0.80 5.03 0.50 2.92 -1.09 0.47 -1.33 121.20 128.51 2f80 s ILE 85 Ca -0.10 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.57 2f80 s ILE 85 Cb -0.16 -3.97 0.09 0.00 -1.58 0.00 0.00 42.46 36.85 2f80 s ILE 85 CO 0.01 -0.25 0.70 0.61 -1.23 0.00 0.00 174.94 174.78 2f80 n GLY 86 N 4.87 1.44 0.27 6.18 0.00 -1.26 -1.04 105.19 115.66 2f80 n GLY 86 Ca -0.05 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.90 2f80 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f80 h ARG 87 N 0.00 0.14 -0.23 1.61 3.08 -0.88 -1.12 114.38 116.99 2f80 h ARG 87 Ca -0.23 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.87 2f80 h ARG 87 Cb 0.98 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2f80 h ARG 87 CO 0.30 0.11 0.18 -2.95 -1.07 0.00 0.00 179.97 176.54 2f80 h ASN 88 N 0.14 0.00 0.00 7.04 -1.07 -1.74 -1.59 115.58 118.36 2f80 h ASN 88 Ca 0.04 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.25 2f80 h ASN 88 Cb 0.02 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.24 2f80 h ASN 88 CO -0.01 0.00 -1.85 0.18 0.07 0.00 0.00 177.43 175.82 2f80 n LEU 89 N -4.24 0.00 -0.13 6.14 4.77 -0.75 -4.43 117.00 118.35 2f80 n LEU 89 Ca 0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.02 2f80 n LEU 89 Cb 0.33 0.21 0.30 0.00 -2.33 0.00 0.00 43.42 41.92 2f80 n LEU 89 CO 0.33 0.21 1.17 -0.07 -1.33 0.00 0.00 177.39 177.70 2f80 h LEU 90 N 0.00 0.72 -1.38 2.23 3.38 -0.86 -1.49 115.31 117.90 2f80 h LEU 90 Ca -0.23 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2f80 h LEU 90 Cb 1.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2f80 h LEU 90 CO 0.01 0.55 0.12 0.71 0.09 0.00 0.00 178.44 179.92 2f80 h THR 91 N 0.83 1.16 0.00 0.22 1.35 -1.52 -1.96 112.91 113.00 2f80 h THR 91 Ca 0.22 -0.54 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2f80 h THR 91 Cb -0.04 0.75 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2f80 h THR 91 CO -0.04 0.20 -0.02 1.56 -0.25 0.00 0.00 175.52 176.96 2f80 h GLN 92 N 0.53 0.00 -0.58 4.72 1.08 -1.48 -2.12 115.11 117.26 2f80 h GLN 92 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2f80 h GLN 92 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2f80 h GLN 92 CO -0.01 0.02 0.00 0.44 -0.95 0.00 0.00 178.83 178.33 2f80 n ILE 93 N -3.11 0.76 -2.34 2.54 -5.35 -1.05 -4.93 119.36 105.88 2f80 n ILE 93 Ca 0.02 -0.85 -0.10 0.00 -0.27 0.00 0.00 62.75 61.54 2f80 n ILE 93 Cb 0.40 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2f80 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f80 n GLY 94 N 1.57 0.03 3.74 3.28 0.00 -0.80 -5.00 105.19 108.01 2f80 n GLY 94 Ca 0.22 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 2f80 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f80 s ALA 95 N -2.61 3.31 0.10 4.61 0.00 -0.76 -5.04 121.76 121.37 2f80 s ALA 95 Ca 0.05 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.69 2f80 s ALA 95 Cb -0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2f80 s ALA 95 CO 0.06 0.07 -0.12 0.95 0.00 0.00 0.00 175.76 176.72 2f80 s THR 96 N -0.64 1.13 -0.20 0.00 -4.23 -1.26 -4.72 115.64 105.71 2f80 s THR 96 Ca 0.44 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.22 2f80 s THR 96 Cb -0.25 -1.36 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 2f80 s THR 96 CO 0.32 -0.43 0.29 -0.76 -0.54 0.00 0.00 174.62 173.49 2f80 s LEU 97 N -2.30 4.17 -0.05 4.79 1.43 -1.26 -5.09 118.68 120.36 2f80 s LEU 97 Ca 0.05 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2f80 s LEU 97 Cb -0.05 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2f80 s LEU 97 CO 0.02 0.02 -0.15 0.20 0.23 0.00 0.00 176.35 176.67 2f80 s ASN 98 N 0.88 2.01 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.69 2f80 s ASN 98 Ca 0.14 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 2f80 s ASN 98 Cb -0.14 -0.71 0.00 0.00 -0.02 0.00 0.00 41.25 40.38 2f80 s ASN 98 CO 0.05 0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.91