#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbg s GLN 2 N 0.00 3.74 -0.20 0.54 0.74 -1.26 -5.08 119.66 118.13 1sbg s GLN 2 Ca 0.00 -0.28 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 1sbg s GLN 2 Cb 0.00 -3.18 0.01 0.00 1.10 0.00 0.00 33.01 30.94 1sbg s GLN 2 CO 0.00 0.47 -0.14 0.42 -0.55 0.00 0.00 175.29 175.49 1sbg s ILE 3 N -0.16 2.51 0.39 -2.34 1.01 -1.26 -5.13 121.20 116.23 1sbg s ILE 3 Ca 0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1sbg s ILE 3 Cb -0.12 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1sbg s ILE 3 CO 0.01 0.47 0.67 0.42 0.00 0.00 0.00 174.94 176.50 1sbg s THR 4 N 1.35 4.98 -0.39 2.92 -4.23 -1.26 -5.00 115.64 114.00 1sbg s THR 4 Ca 0.05 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 1sbg s THR 4 Cb -0.14 -3.83 0.62 0.00 1.34 0.00 0.00 72.50 70.50 1sbg s THR 4 CO -0.09 -0.63 1.80 0.18 -0.54 0.00 0.00 174.62 175.34 1sbg n LEU 5 N -1.76 6.21 0.23 4.79 4.77 -1.26 -4.31 117.00 125.66 1sbg n LEU 5 Ca -0.01 -3.29 0.16 0.00 -0.03 0.00 0.00 56.01 52.83 1sbg n LEU 5 Cb 0.55 -0.78 0.62 0.00 -2.33 0.00 0.00 43.42 41.47 1sbg n LEU 5 CO 0.50 0.93 0.95 -0.50 -1.33 0.00 0.00 177.39 177.94 1sbg h TRP 6 N 1.32 0.00 -3.21 -1.77 4.06 -2.06 -3.43 115.95 110.85 1sbg h TRP 6 Ca 0.49 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 61.00 1sbg h TRP 6 Cb 2.56 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 30.58 1sbg h TRP 6 CO 1.37 0.00 -0.60 -1.14 -3.56 0.00 0.00 178.44 174.51 1sbg s GLN 7 N -3.55 1.59 0.23 0.49 2.00 -1.26 -5.11 119.66 114.05 1sbg s GLN 7 Ca 0.02 -1.88 -0.30 0.00 -2.00 0.00 0.00 55.36 51.20 1sbg s GLN 7 Cb 0.09 -0.59 -0.09 0.00 0.80 0.00 0.00 33.01 33.22 1sbg s GLN 7 CO 0.50 -0.27 1.24 1.03 -0.50 0.00 0.00 175.29 177.29 1sbg s ARG 8 N -3.93 4.46 -1.13 1.67 0.52 -1.26 -4.90 118.95 114.38 1sbg s ARG 8 Ca 0.36 1.98 -0.21 0.00 -0.52 0.00 0.00 55.73 57.34 1sbg s ARG 8 Cb 0.08 -3.18 0.03 0.00 0.52 0.00 0.00 34.95 32.39 1sbg s ARG 8 CO 0.15 -0.10 1.68 -1.25 0.02 0.00 0.00 175.30 175.79 1sbg s PRO 9 N -0.71 3.47 -0.14 3.54 0.04 -1.26 -4.96 135.00 134.98 1sbg s PRO 9 Ca 0.52 -1.34 -0.10 0.00 0.04 0.00 0.00 61.00 60.12 1sbg s PRO 9 Cb -0.35 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 28.77 1sbg s PRO 9 CO 0.41 -2.60 0.20 -0.51 0.04 0.00 0.00 177.00 174.54 1sbg s LEU 10 N 6.10 4.32 0.12 -3.56 1.43 -1.26 -1.25 118.68 124.58 1sbg s LEU 10 Ca 0.55 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1sbg s LEU 10 Cb 0.01 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1sbg s LEU 10 CO 0.01 0.28 -0.08 0.68 0.23 0.00 0.00 176.35 177.46 1sbg s VAL 11 N -0.37 0.88 0.04 -1.59 -7.23 -0.21 -4.92 120.40 106.99 1sbg s VAL 11 Ca 0.14 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.17 1sbg s VAL 11 Cb -0.12 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 1sbg s VAL 11 CO 0.03 -0.81 0.52 -0.89 -0.31 0.00 0.00 175.10 173.64 1sbg s THR 12 N -3.45 4.84 0.06 5.32 2.01 -1.26 -0.53 115.64 122.63 1sbg s THR 12 Ca 0.13 1.10 0.06 0.00 0.31 0.00 0.00 61.69 63.29 1sbg s THR 12 Cb 0.04 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1sbg s THR 12 CO -0.03 0.55 -0.15 0.27 -0.69 0.00 0.00 174.62 174.57 1sbg s ILE 13 N -1.03 1.22 -0.17 1.82 -4.36 0.49 -0.85 121.20 118.31 1sbg s ILE 13 Ca 0.27 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 1sbg s ILE 13 Cb -0.19 -1.14 0.01 0.00 1.25 0.00 0.00 42.46 42.39 1sbg s ILE 13 CO 0.17 -0.12 -0.17 -0.75 0.24 0.00 0.00 174.94 174.32 1sbg s LYS 14 N -1.56 3.13 -0.02 0.37 2.20 -0.81 -1.53 119.74 121.52 1sbg s LYS 14 Ca 0.01 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.87 1sbg s LYS 14 Cb -0.09 -2.63 -0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1sbg s LYS 14 CO 0.02 -0.09 -0.09 0.42 -0.36 0.00 0.00 175.35 175.25 1sbg s ILE 15 N 1.06 0.77 -1.01 5.43 1.09 0.11 -2.46 121.20 126.19 1sbg s ILE 15 Ca -0.01 -0.38 -0.12 0.00 -1.10 0.00 0.00 60.65 59.04 1sbg s ILE 15 Cb -0.14 -0.66 0.02 0.00 -1.06 0.00 0.00 42.46 40.61 1sbg s ILE 15 CO -0.05 0.23 0.23 0.61 -0.10 0.00 0.00 174.94 175.86 1sbg n GLY 16 N 3.08 -0.33 3.57 6.18 0.00 -1.26 -0.39 105.19 116.04 1sbg n GLY 16 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1sbg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbg n GLY 17 N -1.99 2.98 3.88 -0.02 0.00 -1.26 -5.00 105.19 103.79 1sbg n GLY 17 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1sbg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sbg s GLN 18 N 0.00 3.38 -0.18 1.61 -0.21 0.47 -5.09 119.66 119.65 1sbg s GLN 18 Ca 0.00 -0.32 -0.07 0.00 0.02 0.00 0.00 55.36 54.98 1sbg s GLN 18 Cb 0.00 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1sbg s GLN 18 CO 0.00 0.68 0.07 -0.51 -2.12 0.00 0.00 175.29 173.41 1sbg s LEU 19 N -1.79 3.86 0.09 2.90 1.02 -1.26 -0.71 118.68 122.79 1sbg s LEU 19 Ca 0.25 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.51 1sbg s LEU 19 Cb -0.12 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1sbg s LEU 19 CO 0.16 0.19 -0.02 -0.54 0.02 0.00 0.00 176.35 176.16 1sbg s LYS 20 N 0.27 0.79 -0.05 1.70 3.01 -0.58 -5.01 119.74 119.87 1sbg s LYS 20 Ca 0.04 -1.33 -0.02 0.00 -1.01 0.00 0.00 55.97 53.65 1sbg s LYS 20 Cb -0.12 0.05 -0.04 0.00 -1.01 0.00 0.00 37.83 36.71 1sbg s LYS 20 CO 0.00 -0.12 0.07 -2.00 0.51 0.00 0.00 175.35 173.81 1sbg s GLU 21 N -3.92 3.12 0.02 1.68 2.56 -1.26 -0.38 118.70 120.51 1sbg s GLU 21 Ca 0.14 -0.39 -0.17 0.00 0.00 0.00 0.00 54.97 54.55 1sbg s GLU 21 Cb 0.07 -2.91 0.03 0.00 2.00 0.00 0.00 34.13 33.32 1sbg s GLU 21 CO -0.05 0.69 0.38 0.00 -0.56 0.00 0.00 175.26 175.73 1sbg s ALA 22 N -1.07 -0.95 -0.18 6.30 0.00 0.31 -4.59 121.76 121.59 1sbg s ALA 22 Ca 0.18 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 1sbg s ALA 22 Cb -0.12 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1sbg s ALA 22 CO 0.08 -0.38 0.87 -1.17 0.00 0.00 0.00 175.76 175.16 1sbg s LEU 23 N -1.73 4.16 -0.55 0.00 0.20 -0.08 -1.05 118.68 119.64 1sbg s LEU 23 Ca -0.08 1.20 -0.27 0.00 0.69 0.00 0.00 54.13 55.67 1sbg s LEU 23 Cb -0.02 -3.29 0.03 0.00 -0.43 0.00 0.00 46.19 42.48 1sbg s LEU 23 CO 0.01 -0.45 1.11 -0.76 -0.29 0.00 0.00 176.35 175.97 1sbg s LEU 24 N 2.36 3.65 -0.71 -0.68 1.02 -0.38 -0.62 118.68 123.32 1sbg s LEU 24 Ca 0.39 0.08 -0.09 0.00 0.02 0.00 0.00 54.13 54.54 1sbg s LEU 24 Cb -0.16 -3.17 0.19 0.00 0.02 0.00 0.00 46.19 43.06 1sbg s LEU 24 CO 0.11 -1.36 0.59 -0.62 0.02 0.00 0.00 176.35 175.09 1sbg s ASP 25 N 2.79 6.00 0.52 2.29 -1.08 -0.69 -4.76 116.67 121.74 1sbg s ASP 25 Ca 0.41 -2.70 0.34 0.00 -0.52 0.00 0.00 52.55 50.08 1sbg s ASP 25 Cb -0.09 -2.04 1.62 0.00 -1.46 0.00 0.00 42.92 40.96 1sbg s ASP 25 CO 0.25 -0.49 2.03 0.71 0.52 0.00 0.00 175.17 178.19 1sbg h THR 26 N 5.10 0.00 -0.57 1.71 1.35 -1.93 -2.37 112.91 116.20 1sbg h THR 26 Ca 0.02 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1sbg h THR 26 Cb 1.00 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1sbg h THR 26 CO 0.75 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1sbg n GLY 27 N -0.47 1.92 3.47 5.82 0.00 -1.26 -4.82 105.19 109.84 1sbg n GLY 27 Ca -0.01 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1sbg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbg s ALA 28 N -1.40 3.01 0.08 4.61 0.00 -0.89 -4.96 121.76 122.22 1sbg s ALA 28 Ca 0.40 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1sbg s ALA 28 Cb 0.23 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1sbg s ALA 28 CO 0.25 -0.00 1.41 -0.44 0.00 0.00 0.00 175.76 176.97 1sbg h ASP 29 N 7.17 0.00 -2.00 0.00 3.32 -1.87 0.09 116.42 123.14 1sbg h ASP 29 Ca -0.34 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.16 1sbg h ASP 29 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 1sbg h ASP 29 CO 0.62 0.77 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.52 1sbg s ASP 30 N -6.65 4.64 -0.28 6.45 1.01 -1.26 -3.11 116.67 117.47 1sbg s ASP 30 Ca 0.01 -0.73 -0.10 0.00 0.71 0.00 0.00 52.55 52.44 1sbg s ASP 30 Cb 0.10 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 1sbg s ASP 30 CO 0.78 -0.19 0.17 -0.89 0.21 0.00 0.00 175.17 175.25 1sbg s THR 31 N -2.39 5.08 -0.07 -1.27 2.01 -1.26 -3.32 115.64 114.42 1sbg s THR 31 Ca 0.35 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.40 1sbg s THR 31 Cb -0.04 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.03 1sbg s THR 31 CO 0.22 0.22 -0.16 0.54 -0.69 0.00 0.00 174.62 174.75 1sbg s VAL 32 N 1.72 1.42 0.21 3.82 0.11 -0.80 -1.37 120.40 125.52 1sbg s VAL 32 Ca 0.07 -0.66 0.11 0.00 -2.93 0.00 0.00 61.98 58.57 1sbg s VAL 32 Cb -0.16 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.38 1sbg s VAL 32 CO 0.09 0.42 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.30 1sbg s LEU 33 N 0.48 2.48 1.13 2.54 1.43 -0.18 -0.75 118.68 125.82 1sbg s LEU 33 Ca -0.14 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 51.92 1sbg s LEU 33 Cb -0.16 -1.11 0.27 0.00 0.03 0.00 0.00 46.19 45.22 1sbg s LEU 33 CO 0.05 0.08 1.04 -1.61 0.23 0.00 0.00 176.35 176.14 1sbg s GLU 34 N -2.91 -0.68 0.29 1.70 2.02 -1.26 -1.37 118.70 116.50 1sbg s GLU 34 Ca 0.23 0.83 -0.29 0.00 0.02 0.00 0.00 54.97 55.75 1sbg s GLU 34 Cb -0.07 -1.58 -0.10 0.00 0.10 0.00 0.00 34.13 32.48 1sbg s GLU 34 CO 0.11 -3.56 1.44 -1.21 0.02 0.00 0.00 175.26 172.05 1sbg s GLU 35 N -4.54 4.25 0.34 1.61 0.41 -1.25 -4.41 118.70 115.10 1sbg s GLU 35 Ca 0.68 2.36 -0.15 0.00 -0.41 0.00 0.00 54.97 57.45 1sbg s GLU 35 Cb -0.24 -3.07 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 1sbg s GLU 35 CO 0.63 -0.41 0.69 0.00 -0.49 0.00 0.00 175.26 175.68 1sbg s MET 36 N -0.97 2.00 -0.52 1.61 0.23 -1.26 -5.05 119.30 115.33 1sbg s MET 36 Ca 0.56 -1.36 -0.18 0.00 -1.03 0.00 0.00 55.69 53.69 1sbg s MET 36 Cb -0.43 0.58 0.07 0.00 -1.53 0.00 0.00 34.83 33.52 1sbg s MET 36 CO 0.49 -0.90 0.59 1.21 -2.03 0.00 0.00 175.02 174.37 1sbg s ASN 37 N -3.05 6.20 -0.05 -1.18 3.04 -1.26 -5.04 114.94 113.59 1sbg s ASN 37 Ca 0.18 -1.13 0.06 0.00 0.04 0.00 0.00 52.86 52.00 1sbg s ASN 37 Cb -0.04 -2.27 -0.02 0.00 -1.54 0.00 0.00 41.25 37.39 1sbg s ASN 37 CO 0.11 -0.88 -0.23 -0.76 -3.04 0.00 0.00 177.10 172.30 1sbg s LEU 38 N 2.39 2.20 0.56 3.21 1.43 -1.26 -4.93 118.68 122.28 1sbg s LEU 38 Ca 0.12 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1sbg s LEU 38 Cb -0.22 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 1sbg s LEU 38 CO 0.09 0.27 1.05 -2.84 0.23 0.00 0.00 176.35 175.15 1sbg s PRO 39 N -0.31 3.49 0.00 1.29 0.02 -1.26 -5.01 135.00 133.22 1sbg s PRO 39 Ca 0.01 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.26 1sbg s PRO 39 Cb -0.13 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1sbg s PRO 39 CO 0.02 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 1sbg n GLY 40 N -0.84 1.08 3.86 0.52 0.00 -1.26 -5.02 105.19 103.53 1sbg n GLY 40 Ca 0.09 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 1sbg n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sbg s ARG 41 N -1.32 3.89 0.13 1.61 3.52 -1.26 -5.08 118.95 120.44 1sbg s ARG 41 Ca 0.00 0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1sbg s ARG 41 Cb 0.00 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1sbg s ARG 41 CO 0.00 -0.09 0.06 1.67 -0.81 0.00 0.00 175.30 176.13 1sbg s TRP 42 N -2.39 0.89 0.06 5.12 1.48 -1.26 -4.85 118.94 117.99 1sbg s TRP 42 Ca 0.55 -1.23 0.05 0.00 -1.06 0.00 0.00 56.10 54.40 1sbg s TRP 42 Cb -0.10 -0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1sbg s TRP 42 CO 0.28 -0.51 -0.03 0.15 -4.06 0.00 0.00 176.95 172.78 1sbg s LYS 43 N -4.05 2.50 0.07 3.25 1.02 -0.62 -4.88 119.74 117.03 1sbg s LYS 43 Ca 0.25 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1sbg s LYS 43 Cb 0.07 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1sbg s LYS 43 CO 0.02 0.56 0.98 -2.14 -0.92 0.00 0.00 175.35 173.85 1sbg s PRO 44 N -2.03 4.63 0.19 -1.68 0.02 -1.26 -1.02 135.00 133.86 1sbg s PRO 44 Ca 0.23 1.45 -0.02 0.00 0.02 0.00 0.00 61.00 62.67 1sbg s PRO 44 Cb -0.11 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.96 1sbg s PRO 44 CO 0.14 0.09 0.15 0.21 -0.33 0.00 0.00 177.00 177.27 1sbg s LYS 45 N 0.43 1.18 0.01 5.54 2.20 -0.12 -4.94 119.74 124.04 1sbg s LYS 45 Ca 0.49 -1.55 0.01 0.00 -0.36 0.00 0.00 55.97 54.57 1sbg s LYS 45 Cb -0.23 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1sbg s LYS 45 CO 0.29 -0.39 -0.04 1.41 -0.36 0.00 0.00 175.35 176.26 1sbg s MET 46 N -4.12 0.31 0.07 4.03 -2.45 -1.26 -0.69 119.30 115.18 1sbg s MET 46 Ca 0.34 -0.34 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1sbg s MET 46 Cb 0.06 -0.18 -0.04 0.00 1.25 0.00 0.00 34.83 35.93 1sbg s MET 46 CO 0.10 0.04 -0.05 0.96 1.05 0.00 0.00 175.02 177.12 1sbg s ILE 47 N -0.61 0.42 0.07 10.11 -4.36 -0.38 -4.95 121.20 121.51 1sbg s ILE 47 Ca -0.04 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 58.68 1sbg s ILE 47 Cb -0.05 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1sbg s ILE 47 CO -0.00 -0.87 -0.19 -0.83 0.24 0.00 0.00 174.94 173.29 1sbg s GLY 48 N -2.76 1.11 0.00 6.27 0.00 -1.26 0.09 107.32 110.76 1sbg s GLY 48 Ca 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1sbg s GLY 48 CO -0.07 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.55 1sbg n GLY 49 N 1.41 4.20 3.75 0.20 0.00 -0.90 -4.98 105.19 108.87 1sbg n GLY 49 Ca -0.19 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1sbg n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sbg n ILE 50 N 0.00 1.48 0.00 -0.61 -0.00 -1.26 -2.01 119.36 116.96 1sbg n ILE 50 Ca 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.38 1sbg n ILE 50 Cb 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 39.64 37.74 1sbg n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sbg n GLY 51 N 1.38 2.81 0.00 7.39 0.00 -1.26 -4.93 105.19 110.58 1sbg n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1sbg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbg n GLY 52 N -2.00 0.31 3.73 -0.02 0.00 -0.85 -5.08 105.19 101.29 1sbg n GLY 52 Ca 0.00 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 1sbg n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sbg s PHE 53 N 0.00 3.53 0.20 1.61 -0.71 -1.26 -2.11 117.98 119.24 1sbg s PHE 53 Ca 0.00 0.85 0.10 0.00 -1.04 0.00 0.00 56.93 56.84 1sbg s PHE 53 Cb 0.00 -2.49 -0.04 0.00 -1.21 0.00 0.00 43.02 39.28 1sbg s PHE 53 CO 0.00 0.23 -0.18 0.96 -1.34 0.00 0.00 175.22 174.89 1sbg s ILE 54 N 0.42 2.69 -0.13 -4.49 -4.36 0.11 -4.93 121.20 110.52 1sbg s ILE 54 Ca 0.24 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 58.55 1sbg s ILE 54 Cb -0.15 -2.32 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 1sbg s ILE 54 CO 0.09 -0.14 0.39 -0.75 0.24 0.00 0.00 174.94 174.77 1sbg s LYS 55 N -2.82 4.26 0.20 0.37 2.20 -1.26 -1.25 119.74 121.43 1sbg s LYS 55 Ca 0.23 0.29 0.02 0.00 -0.36 0.00 0.00 55.97 56.16 1sbg s LYS 55 Cb -0.08 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1sbg s LYS 55 CO 0.12 0.25 0.01 0.14 -0.36 0.00 0.00 175.35 175.51 1sbg s VAL 56 N 0.38 0.78 -0.18 4.02 -7.23 0.13 -4.42 120.40 113.87 1sbg s VAL 56 Ca 0.22 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1sbg s VAL 56 Cb -0.14 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1sbg s VAL 56 CO 0.08 -0.40 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.33 1sbg s ARG 57 N -3.91 3.65 -0.10 4.82 0.52 0.20 -0.95 118.95 123.18 1sbg s ARG 57 Ca 0.26 -0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 54.91 1sbg s ARG 57 Cb 0.06 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 1sbg s ARG 57 CO 0.06 0.10 0.07 1.14 0.02 0.00 0.00 175.30 176.70 1sbg s GLN 58 N 0.75 3.22 -0.10 3.54 -2.07 -0.18 -1.18 119.66 123.63 1sbg s GLN 58 Ca -0.00 -0.26 0.01 0.00 -1.82 0.00 0.00 55.36 53.29 1sbg s GLN 58 Cb -0.14 -3.00 0.02 0.00 -1.09 0.00 0.00 33.01 28.79 1sbg s GLN 58 CO 0.02 0.74 -0.12 0.71 -1.32 0.00 0.00 175.29 175.32 1sbg s TYR 59 N -0.96 1.72 0.38 9.60 1.51 -0.57 -1.59 117.35 127.45 1sbg s TYR 59 Ca 0.14 -0.80 0.07 0.00 -1.01 0.00 0.00 57.07 55.48 1sbg s TYR 59 Cb -0.12 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1sbg s TYR 59 CO 0.03 -0.45 0.44 -0.51 -1.11 0.00 0.00 175.55 173.95 1sbg s ASP 60 N 1.13 5.50 -1.58 2.29 1.01 -1.26 -0.80 116.67 122.97 1sbg s ASP 60 Ca -0.05 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 52.73 1sbg s ASP 60 Cb -0.14 -0.85 0.01 0.00 1.01 0.00 0.00 42.92 42.94 1sbg s ASP 60 CO -0.03 -0.56 0.27 0.00 0.21 0.00 0.00 175.17 175.07 1sbg n GLN 61 N -1.62 -3.13 -3.65 8.23 1.13 -1.21 -4.90 117.38 112.23 1sbg n GLN 61 Ca 0.03 0.89 -0.37 0.00 -1.94 0.00 0.00 57.00 55.60 1sbg n GLN 61 Cb 0.60 -5.63 -0.06 0.00 0.11 0.00 0.00 30.24 25.26 1sbg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sbg s ILE 62 N -3.04 5.22 -0.16 5.09 -1.09 -0.36 -4.82 121.20 122.05 1sbg s ILE 62 Ca 0.15 0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 59.03 1sbg s ILE 62 Cb -0.07 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1sbg s ILE 62 CO 0.18 0.58 0.21 -0.22 -1.23 0.00 0.00 174.94 174.47 1sbg s LEU 63 N -1.10 4.27 -0.02 2.97 2.96 -1.26 -0.99 118.68 125.50 1sbg s LEU 63 Ca 0.21 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 1sbg s LEU 63 Cb -0.15 -2.23 -0.00 0.00 0.50 0.00 0.00 46.19 44.31 1sbg s LEU 63 CO 0.10 0.19 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.59 1sbg s ILE 64 N 0.11 0.83 -0.45 6.68 1.01 -0.42 -4.42 121.20 124.53 1sbg s ILE 64 Ca 0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 1sbg s ILE 64 Cb -0.12 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 41.72 1sbg s ILE 64 CO 0.02 0.25 0.33 -0.70 0.00 0.00 0.00 174.94 174.84 1sbg s GLU 65 N 0.04 2.72 -0.22 2.79 2.56 -1.03 -1.37 118.70 124.18 1sbg s GLU 65 Ca -0.01 -1.51 -0.11 0.00 0.00 0.00 0.00 54.97 53.35 1sbg s GLU 65 Cb -0.07 -3.94 -0.05 0.00 2.00 0.00 0.00 34.13 32.07 1sbg s GLU 65 CO 0.00 -1.05 0.17 0.42 -0.56 0.00 0.00 175.26 174.25 1sbg s ILE 66 N 1.49 5.36 -0.87 -3.70 1.01 0.15 -1.93 121.20 122.70 1sbg s ILE 66 Ca 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 1sbg s ILE 66 Cb -0.25 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1sbg s ILE 66 CO 0.03 0.37 0.07 0.00 0.00 0.00 0.00 174.94 175.40 1sbg n GLY 68 N -1.88 -1.17 3.38 0.00 0.00 -1.26 -5.05 105.19 99.21 1sbg n GLY 68 Ca -0.17 0.95 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 1sbg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sbg s HIS 69 N -2.68 -0.75 0.32 1.61 4.02 0.21 -5.10 115.29 112.92 1sbg s HIS 69 Ca 0.16 1.55 -0.14 0.00 1.02 0.00 0.00 55.06 57.65 1sbg s HIS 69 Cb -0.04 0.38 -0.09 0.00 -1.02 0.00 0.00 32.58 31.82 1sbg s HIS 69 CO 0.78 -0.41 0.72 0.15 1.02 0.00 0.00 174.74 177.00 1sbg s LYS 70 N 1.53 3.97 0.08 1.40 1.02 -1.26 0.33 119.74 126.81 1sbg s LYS 70 Ca -0.09 0.61 -0.24 0.00 0.02 0.00 0.00 55.97 56.27 1sbg s LYS 70 Cb -0.08 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.84 1sbg s LYS 70 CO -0.15 0.16 0.57 0.00 -0.92 0.00 0.00 175.35 175.01 1sbg s ALA 71 N -1.99 -1.48 -0.07 5.17 0.00 -0.47 -4.93 121.76 117.99 1sbg s ALA 71 Ca 0.53 0.63 0.01 0.00 0.00 0.00 0.00 51.96 53.13 1sbg s ALA 71 Cb -0.10 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1sbg s ALA 71 CO 0.18 -0.60 -0.08 0.42 0.00 0.00 0.00 175.76 175.68 1sbg s ILE 72 N -2.85 0.89 0.28 0.00 1.01 -1.26 -1.30 121.20 117.97 1sbg s ILE 72 Ca -0.03 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1sbg s ILE 72 Cb -0.00 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.65 1sbg s ILE 72 CO -0.05 0.31 0.56 0.61 0.00 0.00 0.00 174.94 176.37 1sbg n GLY 73 N 4.12 1.29 3.71 6.18 0.00 -0.16 -4.88 105.19 115.44 1sbg n GLY 73 Ca -0.21 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1sbg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbg s THR 74 N -2.36 4.86 -0.06 2.61 2.01 -1.26 -1.22 115.64 120.23 1sbg s THR 74 Ca 0.12 2.06 0.04 0.00 0.31 0.00 0.00 61.69 64.21 1sbg s THR 74 Cb -0.03 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.15 1sbg s THR 74 CO 0.09 0.16 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.30 1sbg s VAL 75 N 0.99 1.61 -0.13 3.82 1.01 0.02 -4.56 120.40 123.16 1sbg s VAL 75 Ca 0.52 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1sbg s VAL 75 Cb -0.21 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1sbg s VAL 75 CO 0.28 0.46 -0.02 -0.76 0.00 0.00 0.00 175.10 175.06 1sbg s LEU 76 N 0.13 3.38 -0.03 3.92 1.43 -0.47 -1.51 118.68 125.52 1sbg s LEU 76 Ca -0.07 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1sbg s LEU 76 Cb -0.13 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1sbg s LEU 76 CO 0.04 0.25 -0.18 -0.69 0.23 0.00 0.00 176.35 175.99 1sbg s VAL 77 N -0.12 2.71 -5.00 -1.59 1.01 -0.33 -1.01 120.40 116.07 1sbg s VAL 77 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1sbg s VAL 77 Cb -0.13 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1sbg s VAL 77 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1sbg n GLY 78 N 2.31 -1.19 2.49 4.51 0.00 -0.47 -0.63 105.19 112.20 1sbg n GLY 78 Ca -0.17 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 1sbg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sbg n PRO 79 N -0.01 2.48 -3.55 1.61 -0.04 -1.26 -3.92 135.00 130.30 1sbg n PRO 79 Ca 0.00 -1.60 -0.35 0.00 -0.04 0.00 0.00 63.50 61.51 1sbg n PRO 79 Cb 0.00 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 30.91 1sbg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sbg s THR 80 N 2.90 5.07 0.29 0.52 -1.32 -1.26 -5.01 115.64 116.82 1sbg s THR 80 Ca 0.49 0.52 -0.03 0.00 -1.21 0.00 0.00 61.69 61.46 1sbg s THR 80 Cb 0.13 -3.66 0.24 0.00 -1.51 0.00 0.00 72.50 67.71 1sbg s THR 80 CO -0.04 0.30 1.93 1.55 -2.21 0.00 0.00 174.62 176.16 1sbg h PRO 81 N 3.77 1.08 -5.07 7.08 0.13 -1.98 -3.42 132.00 133.58 1sbg h PRO 81 Ca -0.49 -0.09 -0.33 0.00 -0.87 0.00 0.00 66.00 64.22 1sbg h PRO 81 Cb 1.19 -0.23 -0.15 0.00 0.13 0.00 0.00 31.00 31.94 1sbg h PRO 81 CO 0.66 0.75 -0.72 0.14 -0.23 0.00 0.00 178.00 178.60 1sbg s VAL 82 N -5.82 1.15 0.01 1.56 -7.23 -1.26 -5.05 120.40 103.76 1sbg s VAL 82 Ca -0.11 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 57.82 1sbg s VAL 82 Cb 0.17 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1sbg s VAL 82 CO 0.80 -0.71 0.74 0.20 -0.31 0.00 0.00 175.10 175.82 1sbg s ASN 83 N -3.04 7.14 -0.20 4.85 0.01 -1.26 -4.65 114.94 117.78 1sbg s ASN 83 Ca 0.15 1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 53.65 1sbg s ASN 83 Cb 0.02 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1sbg s ASN 83 CO 0.01 -0.01 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.82 1sbg s ILE 84 N 0.15 2.58 -0.31 0.60 1.01 0.07 -0.90 121.20 124.39 1sbg s ILE 84 Ca 0.38 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1sbg s ILE 84 Cb -0.20 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1sbg s ILE 84 CO 0.21 0.45 0.19 -0.63 0.00 0.00 0.00 174.94 175.16 1sbg s ILE 85 N 1.35 5.05 0.00 2.92 -1.09 0.20 -1.90 121.20 127.74 1sbg s ILE 85 Ca 0.04 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1sbg s ILE 85 Cb -0.14 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 1sbg s ILE 85 CO -0.09 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1sbg n GLY 86 N 5.05 1.95 0.24 6.18 0.00 -1.21 -1.70 105.19 115.70 1sbg n GLY 86 Ca -0.14 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 43.87 1sbg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sbg h ARG 87 N 0.00 0.00 -0.29 1.61 3.08 -1.04 -0.97 114.38 116.77 1sbg h ARG 87 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1sbg h ARG 87 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1sbg h ARG 87 CO 0.00 0.15 0.07 -2.95 -1.07 0.00 0.00 179.97 176.17 1sbg h ASN 88 N 0.00 0.37 0.00 7.04 -1.07 -1.81 -2.76 115.58 117.34 1sbg h ASN 88 Ca -0.00 -0.04 -0.36 0.00 0.07 0.00 0.00 56.30 55.97 1sbg h ASN 88 Cb 0.33 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.42 1sbg h ASN 88 CO 0.02 0.38 -2.35 0.18 0.07 0.00 0.00 177.43 175.73 1sbg n LEU 89 N -4.38 0.95 -0.27 6.14 4.77 -0.90 -4.35 117.00 118.97 1sbg n LEU 89 Ca 0.01 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1sbg n LEU 89 Cb 0.17 0.05 0.38 0.00 -2.33 0.00 0.00 43.42 41.69 1sbg n LEU 89 CO 0.37 0.62 1.22 -0.07 -1.33 0.00 0.00 177.39 178.19 1sbg h LEU 90 N 0.00 0.65 -0.98 2.23 3.38 -1.13 0.62 115.31 120.08 1sbg h LEU 90 Ca -0.53 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1sbg h LEU 90 Cb 2.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1sbg h LEU 90 CO -0.01 0.32 -0.49 0.71 0.09 0.00 0.00 178.44 179.06 1sbg h THR 91 N 0.68 1.30 0.00 0.22 1.35 -1.71 -1.74 112.91 113.00 1sbg h THR 91 Ca 0.45 -1.73 -0.05 0.00 -0.55 0.00 0.00 66.41 64.53 1sbg h THR 91 Cb 0.73 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1sbg h THR 91 CO -0.21 0.48 -0.23 1.56 -0.25 0.00 0.00 175.52 176.88 1sbg h GLN 92 N 0.00 0.00 -0.61 4.72 4.20 0.05 -2.29 115.11 121.17 1sbg h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sbg h GLN 92 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1sbg h GLN 92 CO 0.06 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.89 1sbg n ILE 93 N -3.46 0.87 -1.92 2.54 -5.35 -1.02 -4.93 119.36 106.09 1sbg n ILE 93 Ca -0.00 -0.82 -0.09 0.00 -0.27 0.00 0.00 62.75 61.56 1sbg n ILE 93 Cb 0.41 0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 38.67 1sbg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sbg n GLY 94 N 1.42 0.30 3.77 3.28 0.00 -0.86 -5.01 105.19 108.09 1sbg n GLY 94 Ca 0.20 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1sbg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbg s THR 96 N -1.34 0.27 -0.16 0.00 -4.23 -1.26 -4.76 115.64 104.16 1sbg s THR 96 Ca 0.53 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.71 1sbg s THR 96 Cb -0.31 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1sbg s THR 96 CO 0.40 -0.63 0.11 -0.22 -0.54 0.00 0.00 174.62 173.74 1sbg s LEU 97 N -1.97 4.16 -0.03 4.79 2.96 -1.26 -5.07 118.68 122.26 1sbg s LEU 97 Ca -0.07 0.28 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1sbg s LEU 97 Cb -0.04 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1sbg s LEU 97 CO -0.03 0.28 -0.06 0.20 -1.32 0.00 0.00 176.35 175.41 1sbg s ASN 98 N -0.24 0.96 0.00 3.68 0.01 -1.26 -5.29 114.94 112.80 1sbg s ASN 98 Ca 0.10 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 1sbg s ASN 98 Cb -0.12 -0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.22 1sbg s ASN 98 CO 0.01 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.83