#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpw s GLN 2 N 0.00 3.45 -0.28 -0.52 0.74 -1.26 -5.08 119.66 116.71 2bpw s GLN 2 Ca 0.00 -0.60 -0.08 0.00 0.05 0.00 0.00 55.36 54.73 2bpw s GLN 2 Cb 0.00 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.88 2bpw s GLN 2 CO 0.00 -0.24 0.10 0.42 -0.55 0.00 0.00 175.29 175.03 2bpw s ILE 3 N 1.54 4.37 0.61 -2.34 1.01 -1.26 -5.10 121.20 120.04 2bpw s ILE 3 Ca 0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 2bpw s ILE 3 Cb -0.15 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2bpw s ILE 3 CO 0.01 0.20 1.02 0.42 0.00 0.00 0.00 174.94 176.59 2bpw s THR 4 N 1.60 4.71 -0.38 2.92 -4.23 -1.26 -5.01 115.64 113.99 2bpw s THR 4 Ca 0.05 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.49 2bpw s THR 4 Cb -0.16 -3.87 0.60 0.00 1.34 0.00 0.00 72.50 70.42 2bpw s THR 4 CO 0.04 -1.13 1.72 0.18 -0.54 0.00 0.00 174.62 174.90 2bpw n LEU 5 N -2.71 5.61 -0.04 4.79 7.99 -1.26 -4.44 117.00 126.94 2bpw n LEU 5 Ca 0.06 -3.67 -0.15 0.00 -0.01 0.00 0.00 56.01 52.24 2bpw n LEU 5 Cb 0.54 -0.75 -0.08 0.00 -0.11 0.00 0.00 43.42 43.02 2bpw n LEU 5 CO 0.58 1.13 0.42 -0.50 -1.51 0.00 0.00 177.39 177.51 2bpw h TRP 6 N 1.06 0.67 -1.15 -1.77 4.06 -2.06 -3.45 115.95 113.31 2bpw h TRP 6 Ca 0.45 -0.27 -0.52 0.00 2.06 0.00 0.00 58.89 60.61 2bpw h TRP 6 Cb 2.34 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 30.36 2bpw h TRP 6 CO 1.35 1.03 -0.32 -0.65 -3.56 0.00 0.00 178.44 176.29 2bpw s GLN 7 N -3.82 2.43 0.19 0.49 1.11 -1.26 -5.09 119.66 113.71 2bpw s GLN 7 Ca -0.13 -1.68 -0.30 0.00 0.01 0.00 0.00 55.36 53.26 2bpw s GLN 7 Cb 0.06 -2.35 -0.08 0.00 -1.01 0.00 0.00 33.01 29.63 2bpw s GLN 7 CO 0.81 -0.40 1.23 1.03 0.01 0.00 0.00 175.29 177.97 2bpw s ARG 8 N -4.25 4.45 -0.94 2.91 0.52 -1.26 -4.91 118.95 115.47 2bpw s ARG 8 Ca 0.46 1.93 -0.21 0.00 -0.52 0.00 0.00 55.73 57.40 2bpw s ARG 8 Cb -0.03 -3.23 -0.11 0.00 0.52 0.00 0.00 34.95 32.10 2bpw s ARG 8 CO 0.28 -0.15 1.97 -0.35 0.02 0.00 0.00 175.30 177.07 2bpw n PRO 9 N 2.56 1.80 -3.54 3.54 -0.04 -1.26 -4.92 135.00 133.13 2bpw n PRO 9 Ca 0.05 -2.08 -0.34 0.00 -0.04 0.00 0.00 63.50 61.09 2bpw n PRO 9 Cb 0.44 -3.07 -0.05 0.00 -0.04 0.00 0.00 33.50 30.77 2bpw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpw s LEU 10 N 2.34 4.33 0.15 1.53 1.43 -1.26 -0.59 118.68 126.60 2bpw s LEU 10 Ca 0.57 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 54.40 2bpw s LEU 10 Cb 0.13 -3.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 2bpw s LEU 10 CO 0.08 0.13 0.27 0.68 0.23 0.00 0.00 176.35 177.75 2bpw s VAL 11 N -1.46 0.08 -0.04 -1.59 -7.23 0.63 -4.96 120.40 105.82 2bpw s VAL 11 Ca 0.36 -1.33 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 2bpw s VAL 11 Cb -0.14 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2bpw s VAL 11 CO 0.19 -0.36 0.39 -0.89 -0.31 0.00 0.00 175.10 174.13 2bpw s THR 12 N -3.95 5.10 0.12 5.32 2.01 -1.26 -0.26 115.64 122.72 2bpw s THR 12 Ca 0.15 0.79 0.07 0.00 0.31 0.00 0.00 61.69 63.02 2bpw s THR 12 Cb 0.04 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2bpw s THR 12 CO -0.02 0.52 -0.18 0.27 -0.69 0.00 0.00 174.62 174.52 2bpw s ILE 13 N -0.67 1.58 -0.21 1.82 -4.36 0.86 -3.05 121.20 117.18 2bpw s ILE 13 Ca 0.23 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 2bpw s ILE 13 Cb -0.16 -1.55 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2bpw s ILE 13 CO 0.11 -0.21 -0.16 -0.75 0.24 0.00 0.00 174.94 174.18 2bpw s LYS 14 N -2.22 2.82 -0.12 0.37 2.20 -0.79 0.05 119.74 122.06 2bpw s LYS 14 Ca 0.08 -0.95 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 2bpw s LYS 14 Cb -0.08 -2.70 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 2bpw s LYS 14 CO 0.04 -0.31 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.22 2bpw s ILE 15 N 1.26 0.56 -1.26 5.43 2.07 0.41 -1.63 121.20 128.04 2bpw s ILE 15 Ca 0.01 -0.18 -0.05 0.00 -1.41 0.00 0.00 60.65 59.03 2bpw s ILE 15 Cb -0.15 -0.79 0.01 0.00 0.13 0.00 0.00 42.46 41.65 2bpw s ILE 15 CO -0.10 0.13 1.08 0.61 -1.91 0.00 0.00 174.94 174.76 2bpw n GLY 16 N 5.07 -0.44 3.25 1.50 0.00 -1.26 -2.22 105.19 111.10 2bpw n GLY 16 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2bpw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpw n GLY 17 N -1.65 1.66 3.75 -0.02 0.00 -1.26 -4.97 105.19 102.70 2bpw n GLY 17 Ca -0.10 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2bpw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpw s GLN 18 N 0.00 4.53 -0.22 1.61 -0.21 -0.94 -5.02 119.66 119.42 2bpw s GLN 18 Ca 0.00 1.91 -0.10 0.00 0.02 0.00 0.00 55.36 57.19 2bpw s GLN 18 Cb 0.00 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 2bpw s GLN 18 CO 0.00 0.03 0.13 -0.51 -2.12 0.00 0.00 175.29 172.82 2bpw s LEU 19 N -1.07 4.07 0.17 2.90 1.43 -1.26 -0.44 118.68 124.48 2bpw s LEU 19 Ca 0.48 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 2bpw s LEU 19 Cb -0.34 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2bpw s LEU 19 CO 0.42 0.12 -0.13 -0.54 0.23 0.00 0.00 176.35 176.45 2bpw s LYS 20 N 0.73 1.19 -0.16 1.70 1.02 0.11 -4.96 119.74 119.37 2bpw s LYS 20 Ca 0.07 -1.49 -0.13 0.00 0.02 0.00 0.00 55.97 54.44 2bpw s LYS 20 Cb -0.13 -0.91 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 2bpw s LYS 20 CO 0.02 0.14 0.25 -2.00 -0.92 0.00 0.00 175.35 172.84 2bpw s GLU 21 N -3.54 4.19 0.05 1.68 2.12 -1.26 -0.10 118.70 121.84 2bpw s GLU 21 Ca 0.18 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2bpw s GLU 21 Cb -0.00 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2bpw s GLU 21 CO 0.04 0.29 -0.07 0.00 -0.54 0.00 0.00 175.26 174.98 2bpw s ALA 22 N 0.33 0.56 -0.21 6.30 0.00 0.64 -4.51 121.76 124.87 2bpw s ALA 22 Ca 0.15 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 2bpw s ALA 22 Cb -0.13 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 2bpw s ALA 22 CO 0.03 -0.08 0.23 -1.17 0.00 0.00 0.00 175.76 174.76 2bpw s LEU 23 N -1.81 4.16 -0.50 0.00 2.96 -0.12 -0.27 118.68 123.10 2bpw s LEU 23 Ca -0.07 0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 53.84 2bpw s LEU 23 Cb -0.07 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.40 2bpw s LEU 23 CO -0.01 0.06 1.36 -0.76 -1.32 0.00 0.00 176.35 175.68 2bpw s LEU 24 N 0.89 3.50 -0.31 -0.68 1.43 0.24 -1.28 118.68 122.48 2bpw s LEU 24 Ca 0.12 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 2bpw s LEU 24 Cb -0.13 -3.30 0.07 0.00 0.03 0.00 0.00 46.19 42.86 2bpw s LEU 24 CO 0.04 -1.54 -0.01 -0.62 0.23 0.00 0.00 176.35 174.45 2bpw s ASP 25 N 3.88 4.72 0.06 2.29 2.15 -0.86 -4.78 116.67 124.13 2bpw s ASP 25 Ca 0.54 -1.63 0.23 0.00 0.43 0.00 0.00 52.55 52.13 2bpw s ASP 25 Cb -0.11 -1.64 0.95 0.00 -0.30 0.00 0.00 42.92 41.82 2bpw s ASP 25 CO 0.29 -0.29 1.74 0.35 -0.17 0.00 0.00 175.17 177.08 2bpw n THR 26 N 4.45 0.50 0.84 1.71 -2.24 -1.26 -2.64 114.28 115.64 2bpw n THR 26 Ca -0.08 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 2bpw n THR 26 Cb 0.42 -0.74 0.23 0.00 -2.10 0.00 0.00 70.33 68.13 2bpw n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpw n GLY 27 N 0.83 -1.31 3.66 3.38 0.00 -1.26 -4.85 105.19 105.64 2bpw n GLY 27 Ca 0.05 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2bpw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpw s ALA 28 N -3.06 3.57 0.06 4.61 0.00 -1.08 -4.98 121.76 120.88 2bpw s ALA 28 Ca 0.09 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 2bpw s ALA 28 Cb 0.16 -2.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.54 2bpw s ALA 28 CO 0.71 -0.32 1.30 -0.44 0.00 0.00 0.00 175.76 177.01 2bpw h ASP 29 N 7.48 0.62 -1.79 0.00 3.32 -1.89 0.16 116.42 124.32 2bpw h ASP 29 Ca -0.36 -0.57 -0.49 0.00 0.02 0.00 0.00 57.03 55.63 2bpw h ASP 29 Cb 1.16 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2bpw h ASP 29 CO 0.70 1.08 -0.42 -1.81 -1.72 0.00 0.00 179.24 177.06 2bpw s ASP 30 N -6.55 5.33 -0.24 6.45 1.11 -1.26 -3.03 116.67 118.48 2bpw s ASP 30 Ca -0.13 -0.50 -0.10 0.00 0.18 0.00 0.00 52.55 52.01 2bpw s ASP 30 Cb 0.06 -0.94 -0.05 0.00 1.07 0.00 0.00 42.92 43.07 2bpw s ASP 30 CO 0.82 -0.41 0.14 -0.89 1.18 0.00 0.00 175.17 176.01 2bpw s THR 31 N -2.32 5.19 -0.07 -1.27 2.01 -1.26 -3.52 115.64 114.41 2bpw s THR 31 Ca 0.43 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.58 2bpw s THR 31 Cb -0.06 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2bpw s THR 31 CO 0.27 0.35 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.69 2bpw s VAL 32 N 1.06 1.54 0.22 3.82 1.01 -0.87 -0.37 120.40 126.81 2bpw s VAL 32 Ca 0.07 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.41 2bpw s VAL 32 Cb -0.14 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2bpw s VAL 32 CO 0.04 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.64 2bpw s LEU 33 N 0.33 2.53 0.53 3.92 1.43 0.12 -0.59 118.68 126.95 2bpw s LEU 33 Ca -0.12 -0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 51.82 2bpw s LEU 33 Cb -0.15 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.07 2bpw s LEU 33 CO 0.05 -0.02 1.15 -1.61 0.23 0.00 0.00 176.35 176.15 2bpw s GLU 34 N -3.26 3.37 -0.21 1.70 2.02 -1.26 -1.28 118.70 119.77 2bpw s GLU 34 Ca 0.24 1.69 -0.33 0.00 0.02 0.00 0.00 54.97 56.59 2bpw s GLU 34 Cb -0.05 -2.07 -0.15 0.00 0.10 0.00 0.00 34.13 31.96 2bpw s GLU 34 CO 0.10 -0.85 1.03 0.39 0.02 0.00 0.00 175.26 175.95 2bpw n GLU 35 N -1.18 0.00 -3.68 1.61 -0.58 -1.01 -4.66 120.64 111.14 2bpw n GLU 35 Ca 0.11 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.80 2bpw n GLU 35 Cb 0.50 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 30.22 2bpw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bpw s MET 36 N 1.26 1.17 -0.24 3.49 0.23 -1.26 -5.03 119.30 118.93 2bpw s MET 36 Ca 0.75 -0.60 -0.15 0.00 -1.03 0.00 0.00 55.69 54.65 2bpw s MET 36 Cb -1.06 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 32.64 2bpw s MET 36 CO 0.54 -0.53 0.39 0.45 -2.03 0.00 0.00 175.02 173.83 2bpw s SER 37 N -2.82 6.35 -0.02 -1.18 0.15 -1.26 -5.04 113.70 109.87 2bpw s SER 37 Ca 0.10 0.41 0.06 0.00 0.70 0.00 0.00 55.95 57.21 2bpw s SER 37 Cb -0.02 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 2bpw s SER 37 CO -0.01 -0.14 -0.21 -0.76 1.20 0.00 0.00 173.24 173.33 2bpw s LEU 38 N 1.71 2.03 0.63 3.45 1.43 -1.26 -5.09 118.68 121.59 2bpw s LEU 38 Ca 0.17 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2bpw s LEU 38 Cb -0.15 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 2bpw s LEU 38 CO 0.09 0.25 1.07 -2.16 0.23 0.00 0.00 176.35 175.82 2bpw s PRO 39 N -0.44 3.13 0.00 1.29 0.04 -1.26 -4.93 135.00 132.84 2bpw s PRO 39 Ca 0.07 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2bpw s PRO 39 Cb -0.08 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2bpw s PRO 39 CO -0.00 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2bpw n GLY 40 N -1.14 -2.01 3.90 0.56 0.00 -1.26 -5.00 105.19 100.24 2bpw n GLY 40 Ca 0.09 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 2bpw n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpw s ARG 41 N -0.31 3.61 0.17 1.61 3.00 -1.26 -5.11 118.95 120.66 2bpw s ARG 41 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 55.73 55.67 2bpw s ARG 41 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 34.95 32.11 2bpw s ARG 41 CO 0.00 0.40 -0.07 1.67 0.00 0.00 0.00 175.30 177.30 2bpw s TRP 42 N -1.78 1.33 -0.05 -0.53 1.48 -1.26 -4.59 118.94 113.54 2bpw s TRP 42 Ca 0.41 -0.82 0.04 0.00 -1.06 0.00 0.00 56.10 54.67 2bpw s TRP 42 Cb -0.12 -0.71 0.00 0.00 -1.16 0.00 0.00 33.47 31.49 2bpw s TRP 42 CO 0.26 0.03 -0.15 0.15 -4.06 0.00 0.00 176.95 173.18 2bpw s LYS 43 N -3.79 1.68 0.14 3.25 3.01 -0.81 -4.86 119.74 118.36 2bpw s LYS 43 Ca 0.20 -0.53 -0.31 0.00 -1.01 0.00 0.00 55.97 54.32 2bpw s LYS 43 Cb 0.04 -1.44 -0.08 0.00 -1.01 0.00 0.00 37.83 35.33 2bpw s LYS 43 CO 0.03 0.17 1.39 -2.14 0.51 0.00 0.00 175.35 175.30 2bpw s PRO 44 N 0.21 4.33 0.10 -1.68 0.02 -1.26 0.02 135.00 136.74 2bpw s PRO 44 Ca -0.07 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.09 2bpw s PRO 44 Cb -0.12 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 2bpw s PRO 44 CO 0.02 -0.41 -0.10 0.21 -0.33 0.00 0.00 177.00 176.39 2bpw s LYS 45 N 0.79 0.86 -0.19 5.54 2.20 -0.20 -4.92 119.74 123.82 2bpw s LYS 45 Ca 0.63 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2bpw s LYS 45 Cb -0.37 -0.54 0.04 0.00 -1.51 0.00 0.00 37.83 35.44 2bpw s LYS 45 CO 0.32 0.08 -0.14 1.41 -0.36 0.00 0.00 175.35 176.67 2bpw s MET 46 N -2.85 2.35 -0.01 4.03 -2.45 -1.26 -0.74 119.30 118.37 2bpw s MET 46 Ca 0.06 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.70 2bpw s MET 46 Cb -0.02 -2.47 -0.03 0.00 1.25 0.00 0.00 34.83 33.56 2bpw s MET 46 CO -0.00 -0.36 -0.18 0.96 1.05 0.00 0.00 175.02 176.49 2bpw s ILE 47 N 1.34 2.73 0.41 10.11 -4.36 -0.41 -4.94 121.20 126.07 2bpw s ILE 47 Ca 0.00 -1.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.47 2bpw s ILE 47 Cb -0.15 -2.08 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 2bpw s ILE 47 CO -0.09 0.48 0.22 -0.83 0.24 0.00 0.00 174.94 174.95 2bpw s GLY 48 N -1.00 2.28 0.00 6.27 0.00 -1.26 -0.64 107.32 112.97 2bpw s GLY 48 Ca 0.12 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.79 2bpw s GLY 48 CO 0.02 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 171.87 2bpw n GLY 49 N -1.29 1.13 3.67 0.20 0.00 -0.67 -4.94 105.19 103.29 2bpw n GLY 49 Ca -0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2bpw n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bpw s ILE 50 N -1.68 3.51 0.00 -0.61 -1.09 -1.26 -1.93 121.20 118.14 2bpw s ILE 50 Ca 0.00 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2bpw s ILE 50 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2bpw s ILE 50 CO 0.00 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 2bpw n GLY 51 N 4.04 2.91 0.00 6.18 0.00 -1.26 -4.99 105.19 112.07 2bpw n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bpw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpw n GLY 52 N -1.01 0.56 3.92 -0.02 0.00 -0.81 -5.09 105.19 102.74 2bpw n GLY 52 Ca 0.00 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 2bpw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpw s PHE 53 N -0.81 3.49 0.07 1.61 0.40 -1.26 -1.68 117.98 119.80 2bpw s PHE 53 Ca 0.00 0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.73 2bpw s PHE 53 Cb 0.00 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2bpw s PHE 53 CO 0.00 0.44 -0.14 0.96 0.70 0.00 0.00 175.22 177.18 2bpw s ILE 54 N -1.76 1.09 -0.20 0.64 -4.36 0.19 -4.97 121.20 111.83 2bpw s ILE 54 Ca 0.38 -1.29 -0.15 0.00 -0.26 0.00 0.00 60.65 59.32 2bpw s ILE 54 Cb -0.12 -1.05 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 2bpw s ILE 54 CO 0.28 -0.23 0.38 -0.75 0.24 0.00 0.00 174.94 174.86 2bpw s LYS 55 N -1.73 4.17 0.29 0.37 2.20 -1.26 -1.29 119.74 122.48 2bpw s LYS 55 Ca -0.02 0.16 0.07 0.00 -0.36 0.00 0.00 55.97 55.82 2bpw s LYS 55 Cb -0.10 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2bpw s LYS 55 CO 0.02 -0.03 -0.05 0.14 -0.36 0.00 0.00 175.35 175.07 2bpw s VAL 56 N 1.29 1.65 -0.20 4.02 -7.23 0.09 -4.56 120.40 115.45 2bpw s VAL 56 Ca 0.18 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.14 2bpw s VAL 56 Cb -0.15 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2bpw s VAL 56 CO 0.08 -0.27 0.12 -0.13 -0.31 0.00 0.00 175.10 174.59 2bpw s ARG 57 N -3.73 4.16 -0.33 4.82 0.52 -0.29 -1.03 118.95 123.07 2bpw s ARG 57 Ca 0.30 -0.24 -0.13 0.00 -0.52 0.00 0.00 55.73 55.14 2bpw s ARG 57 Cb 0.04 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 2bpw s ARG 57 CO 0.12 0.28 0.27 -1.14 0.02 0.00 0.00 175.30 174.85 2bpw s GLN 58 N 0.40 3.59 -0.16 3.54 0.74 0.10 -0.99 119.66 126.89 2bpw s GLN 58 Ca 0.07 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.92 2bpw s GLN 58 Cb -0.11 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 2bpw s GLN 58 CO -0.01 -0.42 -0.04 0.71 -0.55 0.00 0.00 175.29 174.98 2bpw s TYR 59 N 1.81 3.02 0.23 1.67 2.02 -0.82 -1.93 117.35 123.34 2bpw s TYR 59 Ca 0.08 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2bpw s TYR 59 Cb -0.17 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2bpw s TYR 59 CO 0.11 -0.09 0.36 -0.51 -1.57 0.00 0.00 175.55 173.85 2bpw s ASP 60 N 0.49 6.32 -1.16 2.29 1.01 -1.26 -1.17 116.67 123.19 2bpw s ASP 60 Ca -0.03 0.12 -0.27 0.00 0.71 0.00 0.00 52.55 53.07 2bpw s ASP 60 Cb -0.14 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 41.92 2bpw s ASP 60 CO 0.03 -0.06 0.74 0.00 0.21 0.00 0.00 175.17 176.09 2bpw n GLN 61 N -1.26 -0.75 -4.52 8.23 6.02 -1.17 -4.89 117.38 119.04 2bpw n GLN 61 Ca -0.08 0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 56.86 2bpw n GLN 61 Cb 0.56 -3.32 -0.11 0.00 1.02 0.00 0.00 30.24 28.40 2bpw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpw s ILE 62 N -3.47 3.93 -0.13 5.09 -1.09 0.45 -4.83 121.20 121.15 2bpw s ILE 62 Ca 0.47 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 2bpw s ILE 62 Cb -0.21 -2.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.98 2bpw s ILE 62 CO 0.91 0.59 0.32 -0.22 -1.23 0.00 0.00 174.94 175.32 2bpw s LEU 63 N -0.73 4.30 0.01 2.97 1.98 -1.26 -1.20 118.68 124.75 2bpw s LEU 63 Ca 0.11 0.62 0.04 0.00 -2.89 0.00 0.00 54.13 52.01 2bpw s LEU 63 Cb -0.11 -2.43 -0.01 0.00 0.66 0.00 0.00 46.19 44.30 2bpw s LEU 63 CO 0.02 0.15 -0.13 -0.63 -1.89 0.00 0.00 176.35 173.87 2bpw s ILE 64 N 0.13 0.99 -0.46 6.68 1.01 -0.10 -4.59 121.20 124.85 2bpw s ILE 64 Ca 0.19 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2bpw s ILE 64 Cb -0.14 -0.86 0.12 0.00 0.01 0.00 0.00 42.46 41.59 2bpw s ILE 64 CO 0.06 0.15 0.33 -1.61 0.00 0.00 0.00 174.94 173.87 2bpw s GLU 65 N -0.63 2.44 -0.53 2.79 2.02 -0.65 -0.99 118.70 123.15 2bpw s GLU 65 Ca 0.03 -1.76 -0.19 0.00 0.02 0.00 0.00 54.97 53.07 2bpw s GLU 65 Cb -0.06 -3.89 0.07 0.00 0.10 0.00 0.00 34.13 30.35 2bpw s GLU 65 CO 0.00 -1.18 0.66 0.42 0.02 0.00 0.00 175.26 175.19 2bpw s ILE 66 N 1.35 4.83 -1.17 -1.63 1.01 0.76 -1.88 121.20 124.47 2bpw s ILE 66 Ca 0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2bpw s ILE 66 Cb -0.26 -4.36 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2bpw s ILE 66 CO -0.01 -0.91 0.77 0.00 0.00 0.00 0.00 174.94 174.79 2bpw n GLY 68 N -1.66 1.61 3.74 0.00 0.00 -1.26 -4.95 105.19 102.66 2bpw n GLY 68 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2bpw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpw s HIS 69 N 0.00 3.40 0.14 1.61 4.02 -0.67 -5.01 115.29 118.79 2bpw s HIS 69 Ca 0.00 1.44 -0.07 0.00 1.02 0.00 0.00 55.06 57.45 2bpw s HIS 69 Cb 0.00 -3.45 -0.06 0.00 -1.02 0.00 0.00 32.58 28.05 2bpw s HIS 69 CO 0.00 -1.23 0.42 0.15 1.02 0.00 0.00 174.74 175.10 2bpw s LYS 70 N -0.47 3.69 -0.05 1.40 1.02 -1.26 -0.17 119.74 123.89 2bpw s LYS 70 Ca 0.52 0.05 -0.08 0.00 0.02 0.00 0.00 55.97 56.49 2bpw s LYS 70 Cb -0.33 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2bpw s LYS 70 CO 0.38 0.46 0.20 0.00 -0.92 0.00 0.00 175.35 175.47 2bpw s ALA 71 N -1.63 -0.48 -0.11 5.17 0.00 -0.16 -4.77 121.76 119.79 2bpw s ALA 71 Ca 0.40 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2bpw s ALA 71 Cb -0.12 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2bpw s ALA 71 CO 0.22 -0.14 -0.18 0.42 0.00 0.00 0.00 175.76 176.08 2bpw s ILE 72 N -0.39 1.70 0.00 0.00 1.01 -1.26 -0.92 121.20 121.34 2bpw s ILE 72 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 2bpw s ILE 72 Cb -0.03 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.93 2bpw s ILE 72 CO 0.01 0.48 0.14 0.61 0.00 0.00 0.00 174.94 176.18 2bpw n GLY 73 N 3.94 0.72 3.71 6.18 0.00 -0.34 -4.91 105.19 114.49 2bpw n GLY 73 Ca -0.20 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2bpw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpw s THR 74 N -2.22 5.04 -0.07 2.61 2.01 -1.26 -0.41 115.64 121.34 2bpw s THR 74 Ca 0.03 1.42 0.04 0.00 0.31 0.00 0.00 61.69 63.48 2bpw s THR 74 Cb -0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2bpw s THR 74 CO 0.00 0.23 -0.18 0.68 -0.69 0.00 0.00 174.62 174.66 2bpw s VAL 75 N 0.97 1.53 -0.07 3.82 -7.23 -0.32 -4.44 120.40 114.67 2bpw s VAL 75 Ca 0.36 -0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 59.66 2bpw s VAL 75 Cb -0.17 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 2bpw s VAL 75 CO 0.17 0.44 0.35 -0.76 -0.31 0.00 0.00 175.10 174.99 2bpw s LEU 76 N 0.32 4.38 -0.20 1.32 1.43 0.50 -1.94 118.68 124.49 2bpw s LEU 76 Ca -0.12 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2bpw s LEU 76 Cb -0.15 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2bpw s LEU 76 CO 0.05 0.24 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 2bpw s VAL 77 N -0.47 2.65 0.00 -1.59 1.01 -0.16 0.11 120.40 121.95 2bpw s VAL 77 Ca 0.21 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2bpw s VAL 77 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2bpw s VAL 77 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2bpw n GLY 78 N 4.67 1.92 2.57 4.51 0.00 -0.41 -1.14 105.19 117.31 2bpw n GLY 78 Ca -0.20 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2bpw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpw n PRO 79 N 0.00 3.08 -3.73 1.61 -0.04 -1.26 -2.40 135.00 132.26 2bpw n PRO 79 Ca 0.00 -2.31 -0.35 0.00 -0.04 0.00 0.00 63.50 60.81 2bpw n PRO 79 Cb 0.00 -3.00 -0.05 0.00 -0.04 0.00 0.00 33.50 30.41 2bpw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpw s THR 80 N 2.89 5.27 -0.09 0.52 -1.32 -1.26 -5.00 115.64 116.64 2bpw s THR 80 Ca 0.57 0.22 0.22 0.00 -1.21 0.00 0.00 61.69 61.49 2bpw s THR 80 Cb 0.15 -3.58 0.22 0.00 -1.51 0.00 0.00 72.50 67.78 2bpw s THR 80 CO -0.06 0.36 1.67 1.55 -2.21 0.00 0.00 174.62 175.93 2bpw h PRO 81 N 3.97 0.00 -4.36 7.08 0.13 -1.98 -3.43 132.00 133.41 2bpw h PRO 81 Ca -0.50 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 2bpw h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2bpw h PRO 81 CO 0.66 0.25 -0.72 0.08 -0.23 0.00 0.00 178.00 178.03 2bpw s VAL 82 N -3.33 0.39 -0.17 1.56 1.01 -1.26 -5.09 120.40 113.51 2bpw s VAL 82 Ca 0.03 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2bpw s VAL 82 Cb 0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 2bpw s VAL 82 CO 0.67 -0.40 1.06 0.20 0.00 0.00 0.00 175.10 176.63 2bpw s ASN 83 N -1.48 7.13 -0.15 3.32 0.01 -1.26 -4.74 114.94 117.76 2bpw s ASN 83 Ca -0.12 1.49 -0.03 0.00 -0.71 0.00 0.00 52.86 53.50 2bpw s ASN 83 Cb -0.10 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.99 2bpw s ASN 83 CO -0.00 -0.60 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.32 2bpw s ILE 84 N 2.76 3.82 -0.45 0.60 -1.09 0.24 -0.94 121.20 126.15 2bpw s ILE 84 Ca 0.47 -0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.41 2bpw s ILE 84 Cb -0.17 -2.67 0.10 0.00 -1.58 0.00 0.00 42.46 38.14 2bpw s ILE 84 CO 0.12 0.50 0.32 -0.63 -1.23 0.00 0.00 174.94 174.02 2bpw s ILE 85 N 0.30 4.33 0.91 2.92 -1.09 -0.41 -2.05 121.20 126.11 2bpw s ILE 85 Ca -0.04 -1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.71 2bpw s ILE 85 Cb -0.14 -3.74 0.20 0.00 -1.58 0.00 0.00 42.46 37.19 2bpw s ILE 85 CO 0.03 -0.64 1.25 -0.83 -1.23 0.00 0.00 174.94 173.52 2bpw s GLY 86 N 2.46 1.79 0.47 6.18 0.00 -1.23 -2.03 107.32 114.97 2bpw s GLY 86 Ca 0.04 -1.44 0.22 0.00 0.00 0.00 0.00 44.72 43.54 2bpw s GLY 86 CO 0.01 -0.69 1.90 3.21 0.00 0.00 0.00 173.10 177.54 2bpw h ARG 87 N -1.39 0.21 -0.88 2.90 3.08 -0.69 -1.69 114.38 115.92 2bpw h ARG 87 Ca -0.41 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.69 2bpw h ARG 87 Cb 1.23 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.18 2bpw h ARG 87 CO 0.35 0.14 0.57 -2.95 -1.07 0.00 0.00 179.97 177.01 2bpw h ASN 88 N 0.22 0.86 0.19 7.04 -1.07 -1.79 -2.46 115.58 118.56 2bpw h ASN 88 Ca 0.40 0.01 -0.13 0.00 0.07 0.00 0.00 56.30 56.64 2bpw h ASN 88 Cb 1.22 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 37.27 2bpw h ASN 88 CO -0.09 0.54 -1.94 0.18 0.07 0.00 0.00 177.43 176.20 2bpw n LEU 89 N -4.49 0.21 -0.11 6.14 4.77 -0.90 -4.25 117.00 118.35 2bpw n LEU 89 Ca 0.14 0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 2bpw n LEU 89 Cb 0.22 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2bpw n LEU 89 CO 0.33 0.15 0.98 -0.07 -1.33 0.00 0.00 177.39 177.45 2bpw h LEU 90 N 0.00 0.27 -1.67 2.23 3.38 -1.03 -1.67 115.31 116.84 2bpw h LEU 90 Ca -0.18 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2bpw h LEU 90 Cb 1.45 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 2bpw h LEU 90 CO 0.02 0.20 0.30 0.71 0.09 0.00 0.00 178.44 179.76 2bpw h THR 91 N 0.38 1.00 -0.33 0.22 1.35 -1.64 -1.90 112.91 111.98 2bpw h THR 91 Ca 0.16 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.82 2bpw h THR 91 Cb 0.06 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 2bpw h THR 91 CO -0.11 0.08 -0.02 1.56 -0.25 0.00 0.00 175.52 176.78 2bpw h GLN 92 N 0.42 0.52 -0.44 4.72 1.08 -1.48 -1.43 115.11 118.51 2bpw h GLN 92 Ca 0.19 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2bpw h GLN 92 Cb 0.23 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2bpw h GLN 92 CO -0.05 0.56 0.00 0.44 -0.95 0.00 0.00 178.83 178.83 2bpw n ILE 93 N -4.27 0.58 -2.81 2.54 -5.35 -0.83 -4.92 119.36 104.29 2bpw n ILE 93 Ca 0.01 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.77 2bpw n ILE 93 Cb 0.25 0.34 0.03 0.00 -1.74 0.00 0.00 39.64 38.52 2bpw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpw n GLY 94 N 1.24 0.05 3.73 3.28 0.00 -0.54 -4.99 105.19 107.96 2bpw n GLY 94 Ca 0.16 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 2bpw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpw s THR 96 N 0.26 0.26 -0.26 0.00 -1.32 -1.26 -4.68 115.64 108.64 2bpw s THR 96 Ca 0.54 -1.22 -0.08 0.00 -1.21 0.00 0.00 61.69 59.72 2bpw s THR 96 Cb -0.31 -0.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 2bpw s THR 96 CO 0.34 -0.62 0.09 -0.22 -2.21 0.00 0.00 174.62 172.00 2bpw s LEU 97 N -1.93 3.55 0.03 9.08 2.96 -1.26 -5.09 118.68 126.03 2bpw s LEU 97 Ca -0.08 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 2bpw s LEU 97 Cb -0.05 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2bpw s LEU 97 CO -0.03 -0.05 -0.24 0.20 -1.32 0.00 0.00 176.35 174.91 2bpw s ASN 98 N 1.63 2.91 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.73 2bpw s ASN 98 Ca 0.06 -0.54 0.00 0.00 -1.57 0.00 0.00 52.86 50.82 2bpw s ASN 98 Cb -0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.80 2bpw s ASN 98 CO 0.05 0.24 0.00 2.22 -2.57 0.00 0.00 177.10 177.04