#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 3.09 -0.17 -0.52 0.74 -1.26 -5.11 119.66 116.44 2bpw s GLN 2 Ca 0.00 -0.80 -0.00 0.00 0.05 0.00 0.00 55.36 54.61 2bpw s GLN 2 Cb 0.00 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.55 2bpw s GLN 2 CO 0.00 -0.06 -0.15 0.42 -0.55 0.00 0.00 175.29 174.95 2bpw s ILE 3 N 0.97 2.63 0.64 -2.34 1.01 -1.26 -5.11 121.20 117.74 2bpw s ILE 3 Ca -0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 2bpw s ILE 3 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.21 2bpw s ILE 3 CO -0.04 0.51 0.98 0.42 0.00 0.00 0.00 174.94 176.81 2bpw s THR 4 N 1.01 3.57 -0.38 2.92 -4.23 -1.26 -5.01 115.64 112.26 2bpw s THR 4 Ca -0.02 0.19 0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2bpw s THR 4 Cb -0.15 -3.46 0.61 0.00 1.34 0.00 0.00 72.50 70.84 2bpw s THR 4 CO -0.03 -0.52 1.52 0.18 -0.54 0.00 0.00 174.62 175.22 2bpw n LEU 5 N -2.76 4.38 0.23 4.79 4.77 -1.26 -4.51 117.00 122.64 2bpw n LEU 5 Ca 0.05 -2.83 0.08 0.00 -0.03 0.00 0.00 56.01 53.28 2bpw n LEU 5 Cb 0.57 -0.55 0.55 0.00 -2.33 0.00 0.00 43.42 41.66 2bpw n LEU 5 CO 0.55 0.68 0.87 -0.50 -1.33 0.00 0.00 177.39 177.67 2bpw h TRP 6 N 2.65 0.00 -1.19 -1.77 4.06 -2.06 -3.43 115.95 114.21 2bpw h TRP 6 Ca 0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.31 2bpw h TRP 6 Cb 1.52 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.55 2bpw h TRP 6 CO 0.66 0.21 -0.56 -0.65 -3.56 0.00 0.00 178.44 174.54 2bpw s GLN 7 N -4.26 2.05 0.01 0.49 -1.52 -1.26 -5.10 119.66 110.07 2bpw s GLN 7 Ca -0.03 -2.23 -0.30 0.00 -1.95 0.00 0.00 55.36 50.85 2bpw s GLN 7 Cb 0.14 -1.52 -0.04 0.00 -0.22 0.00 0.00 33.01 31.37 2bpw s GLN 7 CO 0.65 -0.21 1.08 0.50 -0.25 0.00 0.00 175.29 177.06 2bpw s ARG 8 N -3.79 4.49 -0.93 2.91 3.52 -1.26 -4.94 118.95 118.95 2bpw s ARG 8 Ca 0.22 1.56 -0.21 0.00 -0.13 0.00 0.00 55.73 57.17 2bpw s ARG 8 Cb 0.06 -3.43 -0.12 0.00 -1.56 0.00 0.00 34.95 29.90 2bpw s ARG 8 CO 0.11 -0.17 1.94 -0.35 -0.81 0.00 0.00 175.30 176.03 2bpw n PRO 9 N 4.06 1.69 -3.36 5.12 -0.04 -1.26 -4.94 135.00 136.27 2bpw n PRO 9 Ca 0.08 -2.08 -0.39 0.00 -0.04 0.00 0.00 63.50 61.06 2bpw n PRO 9 Cb 0.49 -3.13 -0.09 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.31 4.06 0.38 1.53 1.43 -1.26 -1.89 118.68 126.24 2bpw s LEU 10 Ca 0.59 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.13 2bpw s LEU 10 Cb 0.11 -2.48 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 2bpw s LEU 10 CO 0.10 -0.19 0.10 0.68 0.23 0.00 0.00 176.35 177.27 2bpw s VAL 11 N 2.01 2.41 -0.15 -1.59 -7.23 -0.41 -4.88 120.40 110.55 2bpw s VAL 11 Ca 0.17 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 2bpw s VAL 11 Cb -0.16 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.80 2bpw s VAL 11 CO 0.09 -0.08 0.22 -0.89 -0.31 0.00 0.00 175.10 174.14 2bpw s THR 12 N -2.58 5.36 0.28 5.32 2.01 -1.26 -0.81 115.64 123.96 2bpw s THR 12 Ca 0.38 0.39 0.12 0.00 0.31 0.00 0.00 61.69 62.88 2bpw s THR 12 Cb 0.03 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2bpw s THR 12 CO 0.21 0.48 -0.18 0.27 -0.69 0.00 0.00 174.62 174.70 2bpw s ILE 13 N -0.07 2.53 -0.17 1.82 -4.36 0.14 -2.87 121.20 118.22 2bpw s ILE 13 Ca 0.14 -2.37 0.00 0.00 -0.26 0.00 0.00 60.65 58.17 2bpw s ILE 13 Cb -0.12 -2.35 0.04 0.00 1.25 0.00 0.00 42.46 41.27 2bpw s ILE 13 CO 0.03 -0.39 -0.10 -0.75 0.24 0.00 0.00 174.94 173.98 2bpw s LYS 14 N -3.53 1.88 -0.05 0.37 2.20 -0.23 -2.00 119.74 118.37 2bpw s LYS 14 Ca 0.30 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2bpw s LYS 14 Cb -0.05 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2bpw s LYS 14 CO 0.15 -0.36 0.03 -1.50 -0.36 0.00 0.00 175.35 173.31 2bpw s ILE 15 N 1.52 0.16 -0.83 5.43 2.07 -0.38 -2.13 121.20 127.03 2bpw s ILE 15 Ca 0.02 0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 2bpw s ILE 15 Cb -0.15 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.09 2bpw s ILE 15 CO -0.09 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 2bpw n GLY 16 N 5.11 0.23 2.28 1.50 0.00 -1.26 -2.17 105.19 110.87 2bpw n GLY 16 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.19 0.58 3.71 -0.02 0.00 -1.26 -5.03 105.19 101.98 2bpw n GLY 17 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.10 2.53 -0.05 1.61 -0.21 -0.92 -5.12 119.66 117.41 2bpw s GLN 18 Ca 0.00 -1.24 0.04 0.00 0.02 0.00 0.00 55.36 54.18 2bpw s GLN 18 Cb 0.00 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 2bpw s GLN 18 CO 0.00 0.39 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.91 2bpw s LEU 19 N -3.62 2.74 0.13 2.90 1.43 -1.26 -1.26 118.68 119.75 2bpw s LEU 19 Ca 0.31 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2bpw s LEU 19 Cb -0.07 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2bpw s LEU 19 CO 0.21 0.34 0.28 -0.54 0.23 0.00 0.00 176.35 176.88 2bpw s LYS 20 N -0.77 1.03 -0.06 1.70 3.01 -0.85 -4.98 119.74 118.83 2bpw s LYS 20 Ca 0.12 -0.99 -0.11 0.00 -1.01 0.00 0.00 55.97 53.98 2bpw s LYS 20 Cb -0.11 0.39 -0.05 0.00 -1.01 0.00 0.00 37.83 37.06 2bpw s LYS 20 CO 0.01 -0.37 0.27 -1.21 0.51 0.00 0.00 175.35 174.56 2bpw s GLU 21 N -3.89 3.67 0.07 1.68 0.41 -1.26 -0.69 118.70 118.70 2bpw s GLU 21 Ca 0.09 0.13 0.01 0.00 -0.41 0.00 0.00 54.97 54.79 2bpw s GLU 21 Cb 0.03 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 2bpw s GLU 21 CO -0.07 0.73 -0.05 0.00 -0.49 0.00 0.00 175.26 175.38 2bpw s ALA 22 N -1.07 0.72 -0.20 5.21 0.00 0.01 -4.38 121.76 122.05 2bpw s ALA 22 Ca 0.20 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 2bpw s ALA 22 Cb -0.14 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2bpw s ALA 22 CO 0.09 -0.25 0.13 -1.17 0.00 0.00 0.00 175.76 174.56 2bpw s LEU 23 N -2.74 4.16 -0.80 0.00 2.96 0.15 -1.29 118.68 121.11 2bpw s LEU 23 Ca 0.06 0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 53.91 2bpw s LEU 23 Cb 0.04 -2.08 0.04 0.00 0.50 0.00 0.00 46.19 44.68 2bpw s LEU 23 CO -0.06 0.16 1.29 -0.76 -1.32 0.00 0.00 176.35 175.66 2bpw s LEU 24 N 0.47 3.38 -0.43 -0.68 1.43 -0.79 -0.76 118.68 121.30 2bpw s LEU 24 Ca 0.08 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.32 2bpw s LEU 24 Cb -0.11 -2.55 0.08 0.00 0.03 0.00 0.00 46.19 43.64 2bpw s LEU 24 CO -0.01 -1.71 0.28 -0.62 0.23 0.00 0.00 176.35 174.52 2bpw s ASP 25 N 4.01 5.72 0.40 2.29 -1.08 -0.54 -4.89 116.67 122.58 2bpw s ASP 25 Ca 0.36 -1.49 0.25 0.00 -0.52 0.00 0.00 52.55 51.16 2bpw s ASP 25 Cb -0.07 -2.02 0.64 0.00 -1.46 0.00 0.00 42.92 40.01 2bpw s ASP 25 CO 0.08 -0.56 1.71 0.71 0.52 0.00 0.00 175.17 177.64 2bpw h THR 26 N 6.03 0.00 -0.24 1.71 1.35 -1.93 -2.90 112.91 116.93 2bpw h THR 26 Ca -0.24 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2bpw h THR 26 Cb 1.09 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2bpw h THR 26 CO 0.78 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 2bpw n GLY 27 N 0.92 0.43 3.42 5.82 0.00 -1.26 -4.76 105.19 109.75 2bpw n GLY 27 Ca 0.04 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.69 2.96 0.10 4.61 0.00 -1.09 -5.00 121.76 121.65 2bpw s ALA 28 Ca 0.29 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2bpw s ALA 28 Cb 0.16 -1.72 -0.15 0.00 0.00 0.00 0.00 23.12 21.41 2bpw s ALA 28 CO 0.22 -0.17 1.31 -0.44 0.00 0.00 0.00 175.76 176.69 2bpw h ASP 29 N 7.55 0.90 -2.40 0.00 3.32 -1.86 0.11 116.42 124.03 2bpw h ASP 29 Ca -0.36 -0.61 -0.56 0.00 0.02 0.00 0.00 57.03 55.52 2bpw h ASP 29 Cb 1.18 -0.26 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 2bpw h ASP 29 CO 0.61 1.35 -0.63 -1.81 -1.72 0.00 0.00 179.24 177.04 2bpw s ASP 30 N -6.99 4.78 -0.19 6.45 1.01 -1.26 -3.01 116.67 117.46 2bpw s ASP 30 Ca -0.11 -0.50 -0.19 0.00 0.71 0.00 0.00 52.55 52.46 2bpw s ASP 30 Cb 0.08 -0.99 -0.03 0.00 1.01 0.00 0.00 42.92 42.99 2bpw s ASP 30 CO 0.89 0.02 0.53 -0.89 0.21 0.00 0.00 175.17 175.93 2bpw s THR 31 N -2.11 5.11 -0.19 -1.27 2.01 -1.26 -3.62 115.64 114.31 2bpw s THR 31 Ca 0.30 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.29 2bpw s THR 31 Cb -0.07 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.63 2bpw s THR 31 CO 0.20 0.19 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.56 2bpw s VAL 32 N 1.52 1.37 0.20 3.82 1.01 -0.13 -1.10 120.40 127.09 2bpw s VAL 32 Ca 0.25 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2bpw s VAL 32 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2bpw s VAL 32 CO 0.10 0.10 0.23 -0.76 0.00 0.00 0.00 175.10 174.78 2bpw s LEU 33 N 1.51 4.05 0.96 3.92 1.02 0.17 -0.26 118.68 130.05 2bpw s LEU 33 Ca -0.01 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 53.99 2bpw s LEU 33 Cb -0.16 -2.62 0.17 0.00 0.02 0.00 0.00 46.19 43.60 2bpw s LEU 33 CO -0.08 0.01 1.09 -1.61 0.02 0.00 0.00 176.35 175.79 2bpw s GLU 34 N -3.49 0.71 -0.32 1.70 2.02 -1.26 -1.78 118.70 116.28 2bpw s GLU 34 Ca 0.33 1.07 -0.39 0.00 0.02 0.00 0.00 54.97 56.00 2bpw s GLU 34 Cb -0.10 -1.73 -0.15 0.00 0.10 0.00 0.00 34.13 32.26 2bpw s GLU 34 CO 0.26 -2.69 1.93 -1.91 0.02 0.00 0.00 175.26 172.88 2bpw n GLU 35 N -4.22 1.02 -3.72 1.61 4.07 -1.23 -4.55 120.64 113.62 2bpw n GLU 35 Ca 0.08 0.34 -0.09 0.00 -0.06 0.00 0.00 57.16 57.43 2bpw n GLU 35 Cb 0.54 -2.16 -0.03 0.00 -0.06 0.00 0.00 31.44 29.73 2bpw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bpw s MET 36 N 4.68 1.48 -0.34 5.31 0.23 -1.26 -5.06 119.30 124.34 2bpw s MET 36 Ca 1.04 -0.84 -0.16 0.00 -1.03 0.00 0.00 55.69 54.71 2bpw s MET 36 Cb -1.04 0.56 -0.01 0.00 -1.53 0.00 0.00 34.83 32.80 2bpw s MET 36 CO 0.60 -0.65 0.38 -1.12 -2.03 0.00 0.00 175.02 172.21 2bpw s SER 37 N -2.87 6.20 0.14 -1.18 0.01 -1.26 -5.04 113.70 109.70 2bpw s SER 37 Ca 0.09 -0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.23 2bpw s SER 37 Cb -0.02 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2bpw s SER 37 CO -0.02 -0.35 -0.08 -0.76 0.41 0.00 0.00 173.24 172.44 2bpw s LEU 38 N 2.07 3.08 0.82 2.44 1.43 -1.26 -5.07 118.68 122.18 2bpw s LEU 38 Ca 0.13 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 2bpw s LEU 38 Cb -0.16 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2bpw s LEU 38 CO 0.12 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.79 2bpw s PRO 39 N -2.52 1.93 0.86 1.29 0.04 -1.26 -4.95 135.00 130.40 2bpw s PRO 39 Ca 0.24 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2bpw s PRO 39 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2bpw s PRO 39 CO 0.15 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2bpw n GLY 40 N -2.22 -2.00 3.99 0.56 0.00 -1.26 -4.95 105.19 99.32 2bpw n GLY 40 Ca 0.07 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 1.86 -0.04 1.61 0.52 -1.26 -5.12 118.95 116.51 2bpw s ARG 41 Ca 0.00 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.04 2bpw s ARG 41 Cb 0.00 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.11 2bpw s ARG 41 CO 0.00 -1.29 0.18 1.67 0.02 0.00 0.00 175.30 175.88 2bpw s TRP 42 N -3.05 -0.13 0.31 -0.53 1.48 -1.26 -4.69 118.94 111.07 2bpw s TRP 42 Ca 0.65 0.29 0.07 0.00 -1.06 0.00 0.00 56.10 56.04 2bpw s TRP 42 Cb -0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 33.47 32.26 2bpw s TRP 42 CO 0.43 -0.17 0.31 0.15 -4.06 0.00 0.00 176.95 173.61 2bpw s LYS 43 N -0.44 2.90 0.15 3.25 3.01 -1.01 -4.90 119.74 122.70 2bpw s LYS 43 Ca -0.05 -1.14 -0.11 0.00 -1.01 0.00 0.00 55.97 53.65 2bpw s LYS 43 Cb -0.04 -2.60 -0.07 0.00 -1.01 0.00 0.00 37.83 34.12 2bpw s LYS 43 CO 0.01 0.18 0.50 -1.25 0.51 0.00 0.00 175.35 175.30 2bpw s PRO 44 N -4.00 3.85 -0.02 -1.68 0.04 -1.26 -1.35 135.00 130.58 2bpw s PRO 44 Ca 0.39 0.31 -0.06 0.00 0.04 0.00 0.00 61.00 61.68 2bpw s PRO 44 Cb -0.07 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2bpw s PRO 44 CO 0.27 0.46 0.12 0.21 0.04 0.00 0.00 177.00 178.10 2bpw s LYS 45 N -2.22 0.36 -0.19 4.56 2.36 -0.70 -4.88 119.74 119.02 2bpw s LYS 45 Ca 0.39 -0.21 0.01 0.00 -2.55 0.00 0.00 55.97 53.61 2bpw s LYS 45 Cb -0.13 0.15 0.03 0.00 -1.05 0.00 0.00 37.83 36.82 2bpw s LYS 45 CO 0.20 -0.08 -0.18 -1.64 1.55 0.00 0.00 175.35 175.20 2bpw s MET 46 N -0.89 2.82 0.03 4.03 -1.94 -1.26 -0.41 119.30 121.67 2bpw s MET 46 Ca -0.10 -0.90 0.08 0.00 -1.71 0.00 0.00 55.69 53.06 2bpw s MET 46 Cb -0.06 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 2bpw s MET 46 CO 0.01 -0.28 -0.23 0.96 -0.01 0.00 0.00 175.02 175.47 2bpw s ILE 47 N 1.27 2.40 -0.15 2.53 -4.36 -0.78 -4.94 121.20 117.16 2bpw s ILE 47 Ca 0.03 -1.27 -0.04 0.00 -0.26 0.00 0.00 60.65 59.11 2bpw s ILE 47 Cb -0.14 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.59 2bpw s ILE 47 CO -0.11 0.38 -0.04 -0.83 0.24 0.00 0.00 174.94 174.58 2bpw s GLY 48 N -1.24 1.72 0.00 6.27 0.00 -1.26 -1.10 107.32 111.71 2bpw s GLY 48 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.03 2bpw s GLY 48 CO 0.03 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.66 2bpw n GLY 49 N 3.51 3.85 0.15 0.20 0.00 0.80 -4.95 105.19 108.75 2bpw n GLY 49 Ca -0.17 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 2bpw n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bpw h ILE 50 N 0.00 1.43 -0.52 -0.61 6.09 -2.03 -3.21 117.51 118.66 2bpw h ILE 50 Ca 0.00 -2.15 0.00 0.00 -1.37 0.00 0.00 64.86 61.34 2bpw h ILE 50 Cb 0.00 2.13 0.00 0.00 0.47 0.00 0.00 36.82 39.42 2bpw h ILE 50 CO 0.00 0.63 0.00 0.61 -3.07 0.00 0.00 178.15 176.32 2bpw n GLY 51 N 0.38 3.15 0.00 8.18 0.00 -1.26 -5.07 105.19 110.57 2bpw n GLY 51 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.52 -0.32 3.94 -0.02 0.00 -1.21 -5.06 105.19 103.03 2bpw n GLY 52 Ca 0.25 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 3.48 0.09 1.61 0.40 -1.26 -0.14 117.98 122.17 2bpw s PHE 53 Ca 0.00 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 2bpw s PHE 53 Cb 0.00 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2bpw s PHE 53 CO 0.00 0.43 0.01 0.96 0.70 0.00 0.00 175.22 177.32 2bpw s ILE 54 N -1.84 0.22 -0.17 0.64 -4.36 -0.26 -4.97 121.20 110.47 2bpw s ILE 54 Ca 0.37 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 58.81 2bpw s ILE 54 Cb -0.11 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 2bpw s ILE 54 CO 0.29 -0.73 0.08 -0.54 0.24 0.00 0.00 174.94 174.27 2bpw s LYS 55 N -3.97 3.84 0.30 0.37 -0.14 -1.26 -1.86 119.74 117.01 2bpw s LYS 55 Ca 0.16 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.50 2bpw s LYS 55 Cb 0.08 -3.20 -0.06 0.00 -1.68 0.00 0.00 37.83 32.97 2bpw s LYS 55 CO -0.04 0.39 0.04 0.14 -0.76 0.00 0.00 175.35 175.12 2bpw s VAL 56 N 0.04 1.14 -0.17 3.17 -7.23 0.45 -4.69 120.40 113.11 2bpw s VAL 56 Ca 0.06 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2bpw s VAL 56 Cb -0.12 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 2bpw s VAL 56 CO 0.00 -0.09 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.49 2bpw s ARG 57 N -3.88 3.40 -0.17 4.82 0.52 -0.84 -1.72 118.95 121.08 2bpw s ARG 57 Ca 0.35 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 2bpw s ARG 57 Cb 0.08 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 2bpw s ARG 57 CO 0.14 0.04 0.18 1.14 0.02 0.00 0.00 175.30 176.81 2bpw s GLN 58 N 0.84 4.10 -0.11 3.54 -2.07 -0.46 -1.82 119.66 123.68 2bpw s GLN 58 Ca -0.03 -0.12 0.01 0.00 -1.82 0.00 0.00 55.36 53.40 2bpw s GLN 58 Cb -0.15 -3.39 -0.02 0.00 -1.09 0.00 0.00 33.01 28.37 2bpw s GLN 58 CO 0.01 0.36 -0.13 0.71 -1.32 0.00 0.00 175.29 174.92 2bpw s TYR 59 N 0.17 2.80 0.09 9.60 1.51 -0.29 -2.42 117.35 128.81 2bpw s TYR 59 Ca 0.11 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2bpw s TYR 59 Cb -0.12 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 2bpw s TYR 59 CO 0.01 -0.09 0.13 -0.51 -1.11 0.00 0.00 175.55 173.97 2bpw s ASP 60 N 0.06 5.78 -1.22 2.29 1.01 -1.26 -1.13 116.67 122.21 2bpw s ASP 60 Ca -0.05 0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 2bpw s ASP 60 Cb -0.14 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.15 2bpw s ASP 60 CO 0.04 0.15 0.86 0.00 0.21 0.00 0.00 175.17 176.44 2bpw n GLN 61 N 0.26 -5.25 -3.69 8.23 6.02 -1.10 -4.94 117.38 116.90 2bpw n GLN 61 Ca -0.08 0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 57.30 2bpw n GLN 61 Cb 0.52 -5.52 -0.07 0.00 1.02 0.00 0.00 30.24 26.19 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 -3.49 5.37 -0.05 5.09 -1.09 -0.72 -4.78 121.20 121.53 2bpw s ILE 62 Ca 0.07 0.35 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 2bpw s ILE 62 Cb -0.01 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2bpw s ILE 62 CO 0.77 0.47 0.81 -0.22 -1.23 0.00 0.00 174.94 175.54 2bpw s LEU 63 N -0.00 4.33 -0.11 2.97 1.98 -1.26 -2.16 118.68 124.42 2bpw s LEU 63 Ca 0.13 1.36 -0.04 0.00 -2.89 0.00 0.00 54.13 52.69 2bpw s LEU 63 Cb -0.12 -3.26 0.06 0.00 0.66 0.00 0.00 46.19 43.52 2bpw s LEU 63 CO 0.02 -0.18 0.17 -0.51 -1.89 0.00 0.00 176.35 173.96 2bpw s ILE 64 N 0.93 -0.27 -0.37 6.68 2.07 0.11 -4.63 121.20 125.73 2bpw s ILE 64 Ca 0.43 0.24 -0.21 0.00 -1.41 0.00 0.00 60.65 59.70 2bpw s ILE 64 Cb -0.19 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.02 2bpw s ILE 64 CO 0.21 0.06 0.65 -0.70 -1.91 0.00 0.00 174.94 173.26 2bpw s GLU 65 N 2.29 3.64 -0.32 3.50 2.12 -0.91 -2.03 118.70 126.99 2bpw s GLU 65 Ca 0.04 0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.32 2bpw s GLU 65 Cb -0.13 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.45 2bpw s GLU 65 CO -0.07 -0.78 0.13 0.42 -0.54 0.00 0.00 175.26 174.41 2bpw s ILE 66 N 2.77 4.20 -1.39 -3.70 1.01 0.65 -1.07 121.20 123.67 2bpw s ILE 66 Ca 0.25 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.15 2bpw s ILE 66 Cb -0.14 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2bpw s ILE 66 CO 0.16 -0.04 0.48 0.00 0.00 0.00 0.00 174.94 175.54 2bpw n GLY 68 N -1.89 0.32 3.25 0.00 0.00 -1.26 -4.99 105.19 100.62 2bpw n GLY 68 Ca -0.31 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.63 2.85 0.37 1.61 4.02 -0.03 -5.11 115.29 117.37 2bpw s HIS 69 Ca 0.00 -1.15 -0.19 0.00 1.02 0.00 0.00 55.06 54.74 2bpw s HIS 69 Cb 0.00 -1.98 -0.10 0.00 -1.02 0.00 0.00 32.58 29.48 2bpw s HIS 69 CO 0.00 -0.59 0.85 0.15 1.02 0.00 0.00 174.74 176.18 2bpw s LYS 70 N 1.19 4.17 -0.14 1.40 1.02 -1.26 -0.25 119.74 125.86 2bpw s LYS 70 Ca 0.02 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 56.82 2bpw s LYS 70 Cb -0.14 -2.37 0.04 0.00 -0.52 0.00 0.00 37.83 34.84 2bpw s LYS 70 CO -0.05 0.09 0.38 0.00 -0.92 0.00 0.00 175.35 174.85 2bpw s ALA 71 N -2.02 -0.94 -0.21 5.17 0.00 -0.86 -4.82 121.76 118.08 2bpw s ALA 71 Ca 0.57 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.62 2bpw s ALA 71 Cb -0.11 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2bpw s ALA 71 CO 0.16 -0.18 -0.04 0.42 0.00 0.00 0.00 175.76 176.11 2bpw s ILE 72 N 0.29 1.27 0.00 0.00 1.01 -1.26 -0.71 121.20 121.79 2bpw s ILE 72 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2bpw s ILE 72 Cb -0.03 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2bpw s ILE 72 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2bpw n GLY 73 N 4.79 2.41 3.70 6.18 0.00 -0.92 -4.81 105.19 116.54 2bpw n GLY 73 Ca -0.12 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.87 4.83 -0.05 2.61 2.01 -1.26 -1.76 115.64 119.14 2bpw s THR 74 Ca 0.00 2.05 0.05 0.00 0.31 0.00 0.00 61.69 64.09 2bpw s THR 74 Cb 0.00 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 2bpw s THR 74 CO 0.00 0.12 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.17 2bpw s VAL 75 N 1.26 1.62 -0.16 3.82 1.01 -0.28 -4.50 120.40 123.17 2bpw s VAL 75 Ca 0.51 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2bpw s VAL 75 Cb -0.20 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2bpw s VAL 75 CO 0.26 0.46 -0.02 -0.76 0.00 0.00 0.00 175.10 175.04 2bpw s LEU 76 N 0.02 3.33 -0.17 3.92 1.43 -0.26 -1.13 118.68 125.81 2bpw s LEU 76 Ca -0.05 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2bpw s LEU 76 Cb -0.13 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2bpw s LEU 76 CO 0.03 0.16 -0.02 -0.69 0.23 0.00 0.00 176.35 176.06 2bpw s VAL 77 N 0.43 3.96 0.02 -1.59 1.01 -0.75 0.46 120.40 123.94 2bpw s VAL 77 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 2bpw s VAL 77 Cb -0.14 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.52 2bpw s VAL 77 CO 0.02 0.47 0.41 0.61 0.00 0.00 0.00 175.10 176.62 2bpw n GLY 78 N 3.73 0.71 3.34 4.51 0.00 -0.73 -1.98 105.19 114.77 2bpw n GLY 78 Ca -0.17 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.29 2.74 -4.03 1.61 -0.04 -1.26 -3.57 135.00 130.15 2bpw n PRO 79 Ca 0.01 -2.88 -0.31 0.00 -0.04 0.00 0.00 63.50 60.28 2bpw n PRO 79 Cb 0.20 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.16 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 5.09 4.74 0.23 0.52 -1.32 -1.26 -5.03 115.64 118.62 2bpw s THR 80 Ca 0.55 -0.61 -0.07 0.00 -1.21 0.00 0.00 61.69 60.35 2bpw s THR 80 Cb 0.07 -3.26 0.21 0.00 -1.51 0.00 0.00 72.50 68.00 2bpw s THR 80 CO 0.05 0.18 1.87 -0.65 -2.21 0.00 0.00 174.62 173.86 2bpw h PRO 81 N 3.43 1.01 -4.21 7.08 0.11 -1.96 -3.46 132.00 134.01 2bpw h PRO 81 Ca -0.47 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.38 2bpw h PRO 81 Cb 1.17 -0.23 -0.12 0.00 0.11 0.00 0.00 31.00 31.93 2bpw h PRO 81 CO 0.67 0.67 -0.37 0.14 -0.21 0.00 0.00 178.00 178.90 2bpw s VAL 82 N -6.09 0.00 0.05 3.15 -7.23 -1.26 -5.10 120.40 103.92 2bpw s VAL 82 Ca -0.13 -1.73 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 2bpw s VAL 82 Cb 0.17 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 2bpw s VAL 82 CO 0.79 0.00 1.23 0.20 -0.31 0.00 0.00 175.10 177.02 2bpw s ASN 83 N -3.14 7.03 -0.12 4.85 0.01 -1.26 -4.67 114.94 117.64 2bpw s ASN 83 Ca 0.32 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.52 2bpw s ASN 83 Cb 0.03 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 2bpw s ASN 83 CO 0.13 -0.52 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.39 2bpw s ILE 84 N 1.30 2.53 -0.35 0.60 1.01 0.64 -0.68 121.20 126.26 2bpw s ILE 84 Ca 0.59 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 2bpw s ILE 84 Cb -0.30 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 2bpw s ILE 84 CO 0.28 0.54 0.22 -0.63 0.00 0.00 0.00 174.94 175.35 2bpw s ILE 85 N 0.41 5.01 0.65 2.92 -1.09 0.06 -0.95 121.20 128.20 2bpw s ILE 85 Ca -0.14 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 57.92 2bpw s ILE 85 Cb -0.17 -3.62 0.11 0.00 -1.58 0.00 0.00 42.46 37.20 2bpw s ILE 85 CO 0.06 -0.06 0.89 -0.83 -1.23 0.00 0.00 174.94 173.78 2bpw s GLY 86 N 1.67 1.75 0.63 6.18 0.00 -1.24 -1.47 107.32 114.84 2bpw s GLY 86 Ca 0.05 -1.94 0.32 0.00 0.00 0.00 0.00 44.72 43.14 2bpw s GLY 86 CO 0.09 -1.43 2.03 3.21 0.00 0.00 0.00 173.10 177.00 2bpw h ARG 87 N -0.17 0.00 -0.25 2.90 3.08 -0.76 -0.90 114.38 118.28 2bpw h ARG 87 Ca -0.33 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 2bpw h ARG 87 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2bpw h ARG 87 CO 0.40 0.00 -0.13 -2.95 -1.07 0.00 0.00 179.97 176.22 2bpw h ASN 88 N 0.00 0.40 0.18 7.04 7.08 -1.81 -2.35 115.58 126.11 2bpw h ASN 88 Ca 0.06 -0.10 -0.22 0.00 -3.08 0.00 0.00 56.30 52.96 2bpw h ASN 88 Cb 0.61 -0.11 -0.04 0.00 -2.08 0.00 0.00 38.32 36.70 2bpw h ASN 88 CO -0.00 0.56 -2.04 0.18 -2.08 0.00 0.00 177.43 174.05 2bpw n LEU 89 N -4.22 0.23 -0.10 6.14 4.77 -0.43 -3.97 117.00 119.43 2bpw n LEU 89 Ca 0.00 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 2bpw n LEU 89 Cb 0.31 0.26 0.21 0.00 -2.33 0.00 0.00 43.42 41.87 2bpw n LEU 89 CO 0.40 0.28 0.95 -0.07 -1.33 0.00 0.00 177.39 177.62 2bpw h LEU 90 N 0.00 0.70 -0.79 2.23 3.38 -1.25 -2.16 115.31 117.42 2bpw h LEU 90 Ca -0.31 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 2bpw h LEU 90 Cb 1.76 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2bpw h LEU 90 CO 0.03 0.72 -0.52 0.71 0.09 0.00 0.00 178.44 179.47 2bpw h THR 91 N 0.72 1.35 -0.70 0.22 1.35 -1.59 -0.63 112.91 113.63 2bpw h THR 91 Ca 0.16 -1.78 -0.07 0.00 -0.55 0.00 0.00 66.41 64.17 2bpw h THR 91 Cb 0.32 1.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 2bpw h THR 91 CO 0.00 0.53 0.16 1.56 -0.25 0.00 0.00 175.52 177.52 2bpw h GLN 92 N 0.17 1.13 -0.02 4.72 4.20 -1.53 -2.56 115.11 121.23 2bpw h GLN 92 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2bpw h GLN 92 Cb 0.97 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2bpw h GLN 92 CO 0.08 1.01 0.00 0.44 -0.67 0.00 0.00 178.83 179.68 2bpw n ILE 93 N -4.23 0.02 -2.46 2.54 -5.35 -0.99 -4.93 119.36 103.96 2bpw n ILE 93 Ca 0.05 -0.13 -0.04 0.00 -0.27 0.00 0.00 62.75 62.37 2bpw n ILE 93 Cb 0.27 -0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.16 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 1.06 0.47 3.79 3.28 0.00 -0.96 -5.05 105.19 107.77 2bpw n GLY 94 Ca 0.20 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.49 0.16 -0.08 0.00 -4.23 -1.26 -4.70 115.64 105.04 2bpw s THR 96 Ca 0.24 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.79 2bpw s THR 96 Cb -0.16 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2bpw s THR 96 CO 0.12 -0.16 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.19 2bpw s LEU 97 N -3.15 3.05 -0.02 4.79 1.43 -1.26 -5.10 118.68 118.42 2bpw s LEU 97 Ca 0.34 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2bpw s LEU 97 Cb 0.07 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2bpw s LEU 97 CO 0.09 0.33 -0.05 0.20 0.23 0.00 0.00 176.35 177.15 2bpw s ASN 98 N -0.60 0.69 0.00 2.29 0.01 -1.26 -5.29 114.94 110.78 2bpw s ASN 98 Ca 0.09 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 2bpw s ASN 98 Cb -0.12 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.37 2bpw s ASN 98 CO 0.02 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.85