#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdv s GLN 2 N 0.00 3.75 -0.19 0.54 0.74 -1.26 -5.10 119.66 118.14 1sdv s GLN 2 Ca 0.00 -0.43 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 1sdv s GLN 2 Cb 0.00 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 1sdv s GLN 2 CO 0.00 -0.13 -0.07 0.42 -0.55 0.00 0.00 175.29 174.95 1sdv s ILE 3 N 1.50 3.24 0.86 -2.34 1.01 -1.26 -5.11 121.20 119.09 1sdv s ILE 3 Ca 0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.02 1sdv s ILE 3 Cb -0.15 -2.44 0.12 0.00 0.01 0.00 0.00 42.46 40.00 1sdv s ILE 3 CO 0.05 0.46 1.23 0.42 0.00 0.00 0.00 174.94 177.09 1sdv s THR 4 N 1.13 2.00 -0.11 2.92 -4.23 -1.26 -5.02 115.64 111.07 1sdv s THR 4 Ca 0.01 -0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.67 1sdv s THR 4 Cb -0.14 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.93 1sdv s THR 4 CO -0.02 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.37 1sdv n LEU 5 N -3.46 2.30 -0.13 4.79 4.77 -1.26 -4.64 117.00 119.36 1sdv n LEU 5 Ca 0.10 -2.87 0.04 0.00 -0.03 0.00 0.00 56.01 53.25 1sdv n LEU 5 Cb 0.60 -0.35 0.35 0.00 -2.33 0.00 0.00 43.42 41.70 1sdv n LEU 5 CO 0.53 0.67 1.21 -0.50 -1.33 0.00 0.00 177.39 177.97 1sdv h TRP 6 N 0.03 0.73 -2.72 -1.77 4.06 -2.06 -3.43 115.95 110.78 1sdv h TRP 6 Ca 0.00 0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.49 1sdv h TRP 6 Cb 0.91 -0.25 -0.14 0.00 -1.00 0.00 0.00 29.16 28.68 1sdv h TRP 6 CO 0.01 0.43 -0.66 0.15 -3.56 0.00 0.00 178.44 174.81 1sdv s LYS 7 N -5.66 1.56 0.24 0.49 -0.14 -1.26 -5.11 119.74 109.85 1sdv s LYS 7 Ca -0.10 -1.81 -0.31 0.00 -1.36 0.00 0.00 55.97 52.39 1sdv s LYS 7 Cb 0.18 -1.05 -0.13 0.00 -1.68 0.00 0.00 37.83 35.15 1sdv s LYS 7 CO 0.76 -0.03 1.49 0.54 -0.76 0.00 0.00 175.35 177.36 1sdv n ARG 8 N -0.60 2.24 -2.62 1.68 1.74 -1.26 -4.85 116.66 112.99 1sdv n ARG 8 Ca -0.05 0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 57.40 1sdv n ARG 8 Cb 0.64 -2.51 -0.00 0.00 -1.02 0.00 0.00 32.46 29.56 1sdv n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1sdv s PRO 9 N -0.13 3.95 -0.06 5.56 0.04 -1.26 -4.95 135.00 138.15 1sdv s PRO 9 Ca 0.69 -1.95 -0.13 0.00 0.04 0.00 0.00 61.00 59.65 1sdv s PRO 9 Cb -0.61 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.41 1sdv s PRO 9 CO 0.46 -2.20 0.34 -0.51 0.04 0.00 0.00 177.00 175.13 1sdv s LEU 10 N 4.05 4.41 0.15 -3.56 1.43 -1.26 -1.01 118.68 122.90 1sdv s LEU 10 Ca 0.52 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1sdv s LEU 10 Cb 0.03 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1sdv s LEU 10 CO 0.05 0.29 -0.02 0.68 0.23 0.00 0.00 176.35 177.59 1sdv s VAL 11 N -0.74 0.69 0.07 -1.59 -7.23 0.10 -4.95 120.40 106.75 1sdv s VAL 11 Ca 0.21 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.16 1sdv s VAL 11 Cb -0.15 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.72 1sdv s VAL 11 CO 0.10 -0.58 0.74 -0.89 -0.31 0.00 0.00 175.10 174.16 1sdv s THR 12 N -3.65 4.67 0.19 5.32 2.01 -1.26 -0.62 115.64 122.30 1sdv s THR 12 Ca 0.21 1.59 0.10 0.00 0.31 0.00 0.00 61.69 63.90 1sdv s THR 12 Cb 0.06 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1sdv s THR 12 CO 0.02 0.41 -0.21 0.27 -0.69 0.00 0.00 174.62 174.42 1sdv s ILE 13 N -0.35 2.15 -0.17 1.82 -4.36 0.15 -1.25 121.20 119.20 1sdv s ILE 13 Ca 0.37 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1sdv s ILE 13 Cb -0.21 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.48 1sdv s ILE 13 CO 0.23 -0.23 -0.19 -0.75 0.24 0.00 0.00 174.94 174.24 1sdv s LYS 14 N -2.82 3.04 -0.11 0.37 2.20 -0.22 -1.65 119.74 120.56 1sdv s LYS 14 Ca 0.20 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.92 1sdv s LYS 14 Cb -0.07 -2.56 0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1sdv s LYS 14 CO 0.09 -0.12 0.27 -1.50 -0.36 0.00 0.00 175.35 173.73 1sdv s ILE 15 N 1.10 -0.03 -1.43 5.43 2.07 -0.27 -1.30 121.20 126.78 1sdv s ILE 15 Ca 0.00 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1sdv s ILE 15 Cb -0.14 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1sdv s ILE 15 CO -0.08 0.04 0.28 0.61 -1.91 0.00 0.00 174.94 173.89 1sdv n GLY 16 N 3.82 -0.50 2.31 1.50 0.00 -1.26 -0.98 105.19 110.07 1sdv n GLY 16 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1sdv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdv n GLY 17 N -1.15 0.41 3.50 -0.02 0.00 -1.26 -5.01 105.19 101.66 1sdv n GLY 17 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1sdv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sdv s GLN 18 N -0.46 1.83 -0.17 1.61 -0.21 -0.16 -5.12 119.66 116.97 1sdv s GLN 18 Ca 0.00 -1.27 -0.09 0.00 0.02 0.00 0.00 55.36 54.02 1sdv s GLN 18 Cb 0.00 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1sdv s GLN 18 CO 0.00 0.45 0.13 -0.51 -2.12 0.00 0.00 175.29 173.24 1sdv s LEU 19 N -2.47 4.26 0.06 2.90 1.43 -1.26 -1.11 118.68 122.50 1sdv s LEU 19 Ca 0.21 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1sdv s LEU 19 Cb -0.09 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1sdv s LEU 19 CO 0.12 0.26 -0.05 -0.54 0.23 0.00 0.00 176.35 176.37 1sdv s LYS 20 N -0.15 0.64 -0.01 1.70 1.02 -0.66 -5.01 119.74 117.27 1sdv s LYS 20 Ca 0.10 -1.12 -0.15 0.00 0.02 0.00 0.00 55.97 54.83 1sdv s LYS 20 Cb -0.11 -0.02 -0.06 0.00 -0.52 0.00 0.00 37.83 37.12 1sdv s LYS 20 CO 0.00 -0.05 0.40 -2.00 -0.92 0.00 0.00 175.35 172.79 1sdv s GLU 21 N -3.25 3.94 0.05 1.68 2.12 -1.26 -0.67 118.70 121.30 1sdv s GLU 21 Ca 0.03 0.40 -0.08 0.00 0.36 0.00 0.00 54.97 55.68 1sdv s GLU 21 Cb 0.02 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1sdv s GLU 21 CO -0.06 0.65 0.17 0.00 -0.54 0.00 0.00 175.26 175.48 1sdv s ALA 22 N -0.94 -0.25 -0.21 6.30 0.00 0.21 -4.60 121.76 122.27 1sdv s ALA 22 Ca 0.23 -0.42 -0.15 0.00 0.00 0.00 0.00 51.96 51.62 1sdv s ALA 22 Cb -0.16 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1sdv s ALA 22 CO 0.13 -0.37 0.37 -1.17 0.00 0.00 0.00 175.76 174.71 1sdv s LEU 23 N -2.24 4.15 -0.43 0.00 2.96 -0.30 -0.72 118.68 122.10 1sdv s LEU 23 Ca -0.03 0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 1sdv s LEU 23 Cb 0.00 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1sdv s LEU 23 CO -0.05 -0.06 1.28 -0.76 -1.32 0.00 0.00 176.35 175.43 1sdv s LEU 24 N 1.29 3.64 -0.35 -0.68 1.43 -0.18 -0.73 118.68 123.10 1sdv s LEU 24 Ca 0.18 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1sdv s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1sdv s LEU 24 CO 0.08 -1.32 0.10 -0.62 0.23 0.00 0.00 176.35 174.81 1sdv s ASP 25 N 3.16 4.35 0.47 2.29 -1.08 -0.28 -4.79 116.67 120.80 1sdv s ASP 25 Ca 0.55 -2.04 0.31 0.00 -0.52 0.00 0.00 52.55 50.85 1sdv s ASP 25 Cb -0.11 -1.27 1.28 0.00 -1.46 0.00 0.00 42.92 41.36 1sdv s ASP 25 CO 0.31 -0.38 1.92 0.71 0.52 0.00 0.00 175.17 178.25 1sdv h THR 26 N 6.38 0.00 -0.00 1.71 1.35 -1.94 -2.17 112.91 118.25 1sdv h THR 26 Ca -0.08 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1sdv h THR 26 Cb 1.00 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1sdv h THR 26 CO 0.51 0.00 -0.13 0.61 -0.25 0.00 0.00 175.52 176.26 1sdv n GLY 27 N 0.02 -1.42 3.67 5.82 0.00 -1.26 -4.81 105.19 107.22 1sdv n GLY 27 Ca 0.01 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1sdv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdv s ALA 28 N -2.97 3.56 0.27 4.61 0.00 -0.81 -4.97 121.76 121.45 1sdv s ALA 28 Ca 0.14 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1sdv s ALA 28 Cb 0.19 -2.60 0.37 0.00 0.00 0.00 0.00 23.12 21.08 1sdv s ALA 28 CO 0.57 -0.28 1.69 -0.44 0.00 0.00 0.00 175.76 177.30 1sdv h ASP 29 N 7.37 0.48 -2.38 0.00 3.32 -1.87 0.10 116.42 123.43 1sdv h ASP 29 Ca -0.36 -0.18 -0.57 0.00 0.02 0.00 0.00 57.03 55.94 1sdv h ASP 29 Cb 1.16 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 1sdv h ASP 29 CO 0.71 0.77 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.48 1sdv s ASP 30 N -6.83 3.34 -0.24 6.45 1.01 -1.26 -2.91 116.67 116.23 1sdv s ASP 30 Ca -0.07 -1.14 -0.10 0.00 0.71 0.00 0.00 52.55 51.95 1sdv s ASP 30 Cb 0.13 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 1sdv s ASP 30 CO 0.80 -0.18 0.16 -0.89 0.21 0.00 0.00 175.17 175.27 1sdv s THR 31 N -2.72 5.36 -0.06 -1.27 2.01 -1.26 -3.25 115.64 114.45 1sdv s THR 31 Ca 0.30 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1sdv s THR 31 Cb 0.01 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1sdv s THR 31 CO 0.14 0.36 -0.04 0.54 -0.69 0.00 0.00 174.62 174.93 1sdv s VAL 32 N 0.98 0.54 0.08 3.82 0.11 -0.43 -0.82 120.40 124.69 1sdv s VAL 32 Ca 0.08 -0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.14 1sdv s VAL 32 Cb -0.13 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1sdv s VAL 32 CO 0.04 0.25 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.17 1sdv s ILE 33 N 1.22 2.07 1.03 7.04 -1.09 -0.06 -0.61 121.20 130.81 1sdv s ILE 33 Ca -0.06 -1.51 -0.12 0.00 -2.23 0.00 0.00 60.65 56.72 1sdv s ILE 33 Cb -0.14 -1.81 0.17 0.00 -1.58 0.00 0.00 42.46 39.11 1sdv s ILE 33 CO -0.02 0.20 0.84 -1.84 -1.23 0.00 0.00 174.94 172.90 1sdv n GLU 34 N 1.41 -1.23 -1.66 2.79 0.28 -1.26 -1.62 120.64 119.36 1sdv n GLU 34 Ca -0.18 -0.31 -0.48 0.00 -0.16 0.00 0.00 57.16 56.03 1sdv n GLU 34 Cb 0.53 -2.14 -0.05 0.00 1.43 0.00 0.00 31.44 31.21 1sdv n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sdv n GLU 35 N -3.79 1.96 -3.60 3.44 -0.58 -1.24 -4.58 120.64 112.24 1sdv n GLU 35 Ca 0.07 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.42 1sdv n GLU 35 Cb 0.54 -2.47 -0.02 0.00 -0.57 0.00 0.00 31.44 28.92 1sdv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sdv s MET 36 N 1.66 1.44 0.12 3.49 0.23 -1.26 -5.05 119.30 119.93 1sdv s MET 36 Ca 0.84 -0.66 -0.24 0.00 -1.03 0.00 0.00 55.69 54.59 1sdv s MET 36 Cb -0.74 0.58 -0.07 0.00 -1.53 0.00 0.00 34.83 33.06 1sdv s MET 36 CO 0.44 -0.65 0.74 -1.12 -2.03 0.00 0.00 175.02 172.40 1sdv s SER 37 N -2.81 7.30 0.03 -1.18 0.01 -1.26 -5.03 113.70 110.76 1sdv s SER 37 Ca 0.05 1.54 0.02 0.00 1.31 0.00 0.00 55.95 58.87 1sdv s SER 37 Cb -0.03 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1sdv s SER 37 CO -0.05 0.18 -0.07 -0.76 0.41 0.00 0.00 173.24 172.95 1sdv s LEU 38 N -0.89 2.20 0.67 2.44 1.43 -1.26 -4.88 118.68 118.39 1sdv s LEU 38 Ca 0.35 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1sdv s LEU 38 Cb -0.22 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1sdv s LEU 38 CO 0.24 -0.16 1.07 -2.16 0.23 0.00 0.00 176.35 175.57 1sdv s PRO 39 N -1.25 2.96 0.50 1.29 0.04 -1.26 -4.95 135.00 132.33 1sdv s PRO 39 Ca -0.08 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1sdv s PRO 39 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1sdv s PRO 39 CO 0.00 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.36 1sdv n GLY 40 N -1.49 -2.18 3.82 0.56 0.00 -1.26 -4.92 105.19 99.72 1sdv n GLY 40 Ca 0.08 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1sdv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdv s ARG 41 N -0.21 3.65 0.13 1.61 0.52 -1.26 -5.07 118.95 118.32 1sdv s ARG 41 Ca 0.00 1.10 -0.03 0.00 -0.52 0.00 0.00 55.73 56.28 1sdv s ARG 41 Cb 0.00 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 1sdv s ARG 41 CO 0.00 -0.53 0.10 1.67 0.02 0.00 0.00 175.30 176.56 1sdv s TRP 42 N -2.51 0.73 0.02 -0.53 1.48 -1.26 -4.50 118.94 112.38 1sdv s TRP 42 Ca 0.62 -1.12 -0.03 0.00 -1.06 0.00 0.00 56.10 54.51 1sdv s TRP 42 Cb -0.13 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.78 1sdv s TRP 42 CO 0.33 -0.55 0.03 -1.59 -4.06 0.00 0.00 176.95 171.11 1sdv s LYS 43 N -4.02 0.43 0.58 3.25 -2.85 -0.93 -4.92 119.74 111.29 1sdv s LYS 43 Ca 0.21 -0.65 -0.16 0.00 -1.00 0.00 0.00 55.97 54.37 1sdv s LYS 43 Cb 0.07 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1sdv s LYS 43 CO 0.00 -0.09 1.05 -1.25 0.10 0.00 0.00 175.35 175.16 1sdv s PRO 44 N -1.89 3.40 -0.03 1.78 0.04 -1.26 -0.32 135.00 136.72 1sdv s PRO 44 Ca -0.11 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.96 1sdv s PRO 44 Cb -0.06 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1sdv s PRO 44 CO -0.02 -0.74 0.28 0.21 0.04 0.00 0.00 177.00 176.78 1sdv s LYS 45 N -4.10 0.59 -0.16 4.56 2.20 -0.68 -4.84 119.74 117.31 1sdv s LYS 45 Ca 0.63 -0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 56.09 1sdv s LYS 45 Cb -0.15 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1sdv s LYS 45 CO 0.37 -0.15 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.53 1sdv s MET 46 N -1.07 3.68 0.03 4.03 -1.94 -1.26 -0.82 119.30 121.95 1sdv s MET 46 Ca -0.11 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.42 1sdv s MET 46 Cb -0.05 -2.93 -0.02 0.00 2.01 0.00 0.00 34.83 33.84 1sdv s MET 46 CO 0.03 0.23 -0.19 0.96 -0.01 0.00 0.00 175.02 176.05 1sdv s ILE 47 N 0.39 1.51 -0.11 2.53 -4.36 -0.37 -4.95 121.20 115.83 1sdv s ILE 47 Ca -0.04 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 1sdv s ILE 47 Cb -0.14 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.24 1sdv s ILE 47 CO 0.03 0.21 -0.14 -0.83 0.24 0.00 0.00 174.94 174.45 1sdv s GLY 48 N -1.00 1.53 0.03 6.27 0.00 -1.26 -1.01 107.32 111.87 1sdv s GLY 48 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1sdv s GLY 48 CO 0.01 -0.30 0.01 0.61 0.00 0.00 0.00 173.10 173.43 1sdv n GLY 49 N 3.32 3.74 0.23 0.20 0.00 0.78 -4.97 105.19 108.50 1sdv n GLY 49 Ca -0.18 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.72 1sdv n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1sdv h ILE 50 N 0.82 0.85 -0.64 -0.61 3.07 -2.04 -2.84 117.51 116.12 1sdv h ILE 50 Ca -0.02 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1sdv h ILE 50 Cb 0.06 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1sdv h ILE 50 CO 0.03 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 177.94 1sdv n GLY 51 N -0.64 2.77 0.00 0.16 0.00 -1.26 -5.06 105.19 101.16 1sdv n GLY 51 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1sdv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sdv n GLY 52 N 1.12 0.34 3.74 -0.02 0.00 -1.07 -5.08 105.19 104.22 1sdv n GLY 52 Ca 0.25 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1sdv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sdv s PHE 53 N 0.00 3.14 0.13 1.61 0.40 -1.26 -0.15 117.98 121.85 1sdv s PHE 53 Ca 0.00 0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1sdv s PHE 53 Cb 0.00 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1sdv s PHE 53 CO 0.00 0.50 -0.18 0.96 0.70 0.00 0.00 175.22 177.20 1sdv s ILE 54 N -1.27 1.66 -0.11 0.64 -4.36 -0.18 -4.95 121.20 112.64 1sdv s ILE 54 Ca 0.25 -1.74 -0.19 0.00 -0.26 0.00 0.00 60.65 58.72 1sdv s ILE 54 Cb -0.12 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1sdv s ILE 54 CO 0.17 -0.25 0.50 -0.75 0.24 0.00 0.00 174.94 174.85 1sdv s LYS 55 N -2.45 4.34 0.27 0.37 2.20 -1.26 -1.23 119.74 121.98 1sdv s LYS 55 Ca 0.11 0.50 0.03 0.00 -0.36 0.00 0.00 55.97 56.25 1sdv s LYS 55 Cb -0.07 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1sdv s LYS 55 CO 0.05 0.16 0.05 0.14 -0.36 0.00 0.00 175.35 175.39 1sdv s VAL 56 N 0.60 0.95 -0.21 4.02 -7.23 -0.00 -4.46 120.40 114.07 1sdv s VAL 56 Ca 0.27 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1sdv s VAL 56 Cb -0.15 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1sdv s VAL 56 CO 0.11 -0.12 0.15 -0.13 -0.31 0.00 0.00 175.10 174.80 1sdv s ARG 57 N -3.92 4.16 -0.30 4.82 0.52 -0.16 -1.68 118.95 122.39 1sdv s ARG 57 Ca 0.34 -0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.23 1sdv s ARG 57 Cb 0.07 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1sdv s ARG 57 CO 0.12 0.23 0.20 -1.14 0.02 0.00 0.00 175.30 174.74 1sdv s GLN 58 N 0.56 3.76 -0.13 3.54 0.74 0.56 -0.88 119.66 127.82 1sdv s GLN 58 Ca 0.09 -0.45 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 1sdv s GLN 58 Cb -0.12 -3.70 -0.02 0.00 1.10 0.00 0.00 33.01 30.27 1sdv s GLN 58 CO 0.00 -0.28 -0.08 0.71 -0.55 0.00 0.00 175.29 175.09 1sdv s TYR 59 N 1.74 2.93 0.25 1.67 1.51 -0.49 -2.18 117.35 122.77 1sdv s TYR 59 Ca 0.07 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1sdv s TYR 59 Cb -0.17 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1sdv s TYR 59 CO 0.11 -0.04 0.24 -0.51 -1.11 0.00 0.00 175.55 174.24 1sdv s ASP 60 N 0.16 5.74 -1.32 2.29 -0.00 -1.26 -0.87 116.67 121.41 1sdv s ASP 60 Ca -0.04 -0.17 -0.04 0.00 -0.00 0.00 0.00 52.55 52.31 1sdv s ASP 60 Cb -0.14 -1.52 0.02 0.00 -0.00 0.00 0.00 42.92 41.27 1sdv s ASP 60 CO 0.04 -0.05 0.89 0.00 -0.00 0.00 0.00 175.17 176.05 1sdv n GLN 61 N -1.24 -5.89 -3.66 8.23 6.02 -1.17 -4.91 117.38 114.77 1sdv n GLN 61 Ca -0.08 0.71 -0.36 0.00 -0.01 0.00 0.00 57.00 57.25 1sdv n GLN 61 Cb 0.58 -5.51 -0.09 0.00 1.02 0.00 0.00 30.24 26.24 1sdv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sdv s ILE 62 N -3.48 5.36 0.09 5.09 -1.09 -0.19 -4.82 121.20 122.17 1sdv s ILE 62 Ca 0.19 0.25 -0.25 0.00 -2.23 0.00 0.00 60.65 58.62 1sdv s ILE 62 Cb -0.09 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1sdv s ILE 62 CO 0.78 0.38 0.76 -0.63 -1.23 0.00 0.00 174.94 175.00 1sdv s ILE 63 N 0.75 4.60 0.03 2.92 1.01 -1.26 -1.28 121.20 127.98 1sdv s ILE 63 Ca 0.09 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.39 1sdv s ILE 63 Cb -0.13 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1sdv s ILE 63 CO 0.02 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.70 1sdv s ILE 64 N -0.49 0.38 -0.18 2.92 1.01 0.26 -4.53 121.20 120.57 1sdv s ILE 64 Ca 0.37 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1sdv s ILE 64 Cb -0.21 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 1sdv s ILE 64 CO 0.24 -0.43 -0.11 -0.70 0.00 0.00 0.00 174.94 173.94 1sdv s GLU 65 N -1.55 3.30 -0.27 2.79 2.12 -0.42 -1.20 118.70 123.47 1sdv s GLU 65 Ca -0.12 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.53 1sdv s GLU 65 Cb -0.10 -2.77 0.06 0.00 0.26 0.00 0.00 34.13 31.58 1sdv s GLU 65 CO -0.00 -0.04 -0.07 0.42 -0.54 0.00 0.00 175.26 175.03 1sdv s ILE 66 N 1.00 2.48 -1.70 -3.70 1.01 0.22 -1.05 121.20 119.46 1sdv s ILE 66 Ca -0.01 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 58.96 1sdv s ILE 66 Cb -0.15 -2.44 0.13 0.00 0.01 0.00 0.00 42.46 40.01 1sdv s ILE 66 CO -0.02 -0.05 0.49 0.00 0.00 0.00 0.00 174.94 175.36 1sdv n ALA 67 N 4.50 -1.51 -0.15 9.38 0.00 -0.38 -0.39 120.51 131.96 1sdv n ALA 67 Ca -0.14 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1sdv n ALA 67 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1sdv n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sdv n GLY 68 N -1.63 0.84 3.48 0.00 0.00 -1.26 -5.04 105.19 101.59 1sdv n GLY 68 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1sdv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sdv s HIS 69 N -2.49 3.03 0.22 1.61 4.02 0.47 -5.08 115.29 117.08 1sdv s HIS 69 Ca 0.00 -0.34 -0.16 0.00 1.02 0.00 0.00 55.06 55.57 1sdv s HIS 69 Cb 0.00 -2.00 -0.08 0.00 -1.02 0.00 0.00 32.58 29.48 1sdv s HIS 69 CO 0.00 -0.10 0.66 0.15 1.02 0.00 0.00 174.74 176.47 1sdv s LYS 70 N 0.56 4.09 0.23 1.40 1.02 -1.26 -0.61 119.74 125.18 1sdv s LYS 70 Ca -0.02 0.68 -0.19 0.00 0.02 0.00 0.00 55.97 56.46 1sdv s LYS 70 Cb -0.14 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1sdv s LYS 70 CO 0.02 0.37 0.60 0.00 -0.92 0.00 0.00 175.35 175.42 1sdv s ALA 71 N -1.61 -0.98 0.01 5.17 0.00 -0.34 -4.76 121.76 119.25 1sdv s ALA 71 Ca 0.44 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1sdv s ALA 71 Cb -0.15 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1sdv s ALA 71 CO 0.20 -0.90 -0.07 -1.50 0.00 0.00 0.00 175.76 173.48 1sdv s ILE 72 N -3.91 0.55 -0.69 0.00 2.07 -1.26 -0.58 121.20 117.38 1sdv s ILE 72 Ca 0.12 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.90 1sdv s ILE 72 Cb -0.03 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1sdv s ILE 72 CO 0.02 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1sdv n GLY 73 N 2.61 -1.24 3.74 1.50 0.00 -0.40 -4.91 105.19 106.48 1sdv n GLY 73 Ca -0.15 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 1sdv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sdv s THR 74 N -3.00 4.38 -0.08 2.61 2.01 -1.26 -1.02 115.64 119.28 1sdv s THR 74 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.07 1sdv s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.21 1sdv s THR 74 CO 0.00 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 1sdv s VAL 75 N -0.39 1.31 -0.06 3.82 1.01 -0.04 -4.51 120.40 121.53 1sdv s VAL 75 Ca 0.44 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1sdv s VAL 75 Cb -0.24 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1sdv s VAL 75 CO 0.30 0.39 0.22 -0.76 0.00 0.00 0.00 175.10 175.26 1sdv s LEU 76 N 0.70 4.40 -0.09 3.92 1.43 0.00 -1.40 118.68 127.64 1sdv s LEU 76 Ca -0.13 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 1sdv s LEU 76 Cb -0.16 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1sdv s LEU 76 CO 0.03 0.35 -0.13 -0.69 0.23 0.00 0.00 176.35 176.15 1sdv s VAL 77 N -1.12 1.27 -0.66 -1.59 1.01 -0.06 -0.88 120.40 118.37 1sdv s VAL 77 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1sdv s VAL 77 Cb -0.13 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1sdv s VAL 77 CO 0.09 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1sdv n GLY 78 N 4.17 -0.99 2.48 4.51 0.00 -0.64 -0.99 105.19 113.74 1sdv n GLY 78 Ca -0.19 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1sdv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sdv n PRO 79 N 0.00 3.67 -3.10 1.61 -0.04 -1.26 -3.65 135.00 132.23 1sdv n PRO 79 Ca 0.00 -2.64 -0.39 0.00 -0.04 0.00 0.00 63.50 60.43 1sdv n PRO 79 Cb 0.00 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 1sdv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sdv s THR 80 N 1.64 4.52 -1.02 0.52 -1.32 -1.26 -4.97 115.64 113.75 1sdv s THR 80 Ca 0.59 1.51 0.18 0.00 -1.21 0.00 0.00 61.69 62.76 1sdv s THR 80 Cb 0.16 -4.04 0.16 0.00 -1.51 0.00 0.00 72.50 67.27 1sdv s THR 80 CO -0.07 0.53 1.58 -0.81 -2.21 0.00 0.00 174.62 173.65 1sdv n PRO 81 N 1.67 0.01 -3.75 7.08 -0.04 -1.26 -4.75 135.00 133.97 1sdv n PRO 81 Ca -0.08 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1sdv n PRO 81 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1sdv n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sdv s ALA 82 N -2.98 -0.88 -0.02 0.55 0.00 -1.26 -5.13 121.76 112.04 1sdv s ALA 82 Ca 0.09 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1sdv s ALA 82 Cb 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1sdv s ALA 82 CO 0.33 -0.21 1.26 -0.80 0.00 0.00 0.00 175.76 176.34 1sdv s ASN 83 N -0.36 6.99 -0.11 0.00 0.01 -1.26 -4.76 114.94 115.45 1sdv s ASN 83 Ca -0.05 1.93 0.01 0.00 -0.71 0.00 0.00 52.86 54.05 1sdv s ASN 83 Cb -0.03 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1sdv s ASN 83 CO 0.02 -0.61 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.24 1sdv s ILE 84 N 2.12 1.38 -0.40 0.60 1.01 0.22 -1.15 121.20 124.97 1sdv s ILE 84 Ca 0.59 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1sdv s ILE 84 Cb -0.27 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1sdv s ILE 84 CO 0.24 0.42 0.48 -0.63 0.00 0.00 0.00 174.94 175.45 1sdv s ILE 85 N 1.14 5.04 0.37 2.92 -1.09 0.09 -1.32 121.20 128.35 1sdv s ILE 85 Ca -0.04 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1sdv s ILE 85 Cb -0.14 -4.03 0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1sdv s ILE 85 CO -0.03 -0.38 0.51 0.61 -1.23 0.00 0.00 174.94 174.41 1sdv n GLY 86 N 5.03 1.39 0.23 6.18 0.00 -1.20 -1.13 105.19 115.70 1sdv n GLY 86 Ca -0.06 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 43.92 1sdv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sdv h ARG 87 N 0.00 0.00 -0.01 1.61 3.08 -0.82 -0.96 114.38 117.28 1sdv h ARG 87 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1sdv h ARG 87 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1sdv h ARG 87 CO 0.21 0.16 0.01 -2.95 -1.07 0.00 0.00 179.97 176.33 1sdv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -1.87 115.58 117.89 1sdv h ASN 88 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.16 1sdv h ASN 88 Cb 0.29 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.50 1sdv h ASN 88 CO 0.02 0.00 -1.93 0.18 0.07 0.00 0.00 177.43 175.77 1sdv n LEU 89 N -4.20 0.00 -0.27 6.14 4.77 -0.75 -4.46 117.00 118.24 1sdv n LEU 89 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1sdv n LEU 89 Cb 0.09 0.28 0.21 0.00 -2.33 0.00 0.00 43.42 41.68 1sdv n LEU 89 CO 0.31 0.28 1.26 -0.07 -1.33 0.00 0.00 177.39 177.83 1sdv h LEU 90 N 0.00 0.94 -1.15 2.23 3.38 -0.94 -1.91 115.31 117.85 1sdv h LEU 90 Ca -0.31 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1sdv h LEU 90 Cb 1.63 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1sdv h LEU 90 CO 0.02 0.67 0.58 0.71 0.09 0.00 0.00 178.44 180.51 1sdv h THR 91 N 1.10 1.16 0.00 0.22 1.35 -1.57 -1.85 112.91 113.32 1sdv h THR 91 Ca 0.31 -0.38 -0.09 0.00 -0.55 0.00 0.00 66.41 65.70 1sdv h THR 91 Cb -0.08 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.27 1sdv h THR 91 CO -0.08 0.20 -0.42 1.56 -0.25 0.00 0.00 175.52 176.54 1sdv h GLN 92 N 1.12 0.00 -0.16 4.72 1.08 -1.57 -1.74 115.11 118.56 1sdv h GLN 92 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1sdv h GLN 92 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1sdv h GLN 92 CO -0.10 0.42 0.00 0.44 -0.95 0.00 0.00 178.83 178.64 1sdv n ILE 93 N -3.72 0.20 -1.04 2.54 -5.35 -1.10 -4.94 119.36 105.96 1sdv n ILE 93 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1sdv n ILE 93 Cb 0.49 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1sdv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sdv n GLY 94 N 1.21 0.41 3.74 3.28 0.00 -0.66 -5.01 105.19 108.17 1sdv n GLY 94 Ca 0.17 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1sdv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdv s ALA 95 N -2.00 3.40 0.08 4.61 0.00 -0.72 -5.04 121.76 122.09 1sdv s ALA 95 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1sdv s ALA 95 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1sdv s ALA 95 CO 0.00 -0.25 -0.09 0.95 0.00 0.00 0.00 175.76 176.37 1sdv s THR 96 N -0.33 0.79 -0.21 0.00 -4.23 -1.26 -4.70 115.64 105.69 1sdv s THR 96 Ca 0.50 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 1sdv s THR 96 Cb -0.31 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 1sdv s THR 96 CO 0.36 -0.51 0.20 -0.22 -0.54 0.00 0.00 174.62 173.92 1sdv s LEU 97 N -2.17 4.16 -0.05 4.79 2.96 -1.26 -5.09 118.68 122.02 1sdv s LEU 97 Ca 0.00 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1sdv s LEU 97 Cb -0.05 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1sdv s LEU 97 CO -0.00 0.08 -0.12 0.20 -1.32 0.00 0.00 176.35 175.19 1sdv s ASN 98 N 0.79 1.66 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.64 1sdv s ASN 98 Ca 0.11 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.12 1sdv s ASN 98 Cb -0.13 -0.63 0.00 0.00 -0.02 0.00 0.00 41.25 40.47 1sdv s ASN 98 CO 0.03 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.84