#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tcw s GLN 2 N 0.00 2.31 -0.30 0.54 0.74 -1.26 -5.09 119.66 116.59 1tcw s GLN 2 Ca 0.00 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.72 1tcw s GLN 2 Cb 0.00 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 1tcw s GLN 2 CO 0.00 0.02 0.12 -0.06 -0.55 0.00 0.00 175.29 174.82 1tcw s PHE 3 N 0.73 3.16 -1.61 1.67 0.08 -1.26 -4.98 117.98 115.77 1tcw s PHE 3 Ca -0.12 -0.67 0.29 0.00 0.12 0.00 0.00 56.93 56.55 1tcw s PHE 3 Cb -0.16 -2.31 1.21 0.00 -0.57 0.00 0.00 43.02 41.19 1tcw s PHE 3 CO 0.02 -0.48 1.85 -1.13 -0.10 0.00 0.00 175.22 175.39 1tcw n SER 4 N 4.94 0.45 -0.86 1.36 3.41 -1.26 -4.96 113.62 116.71 1tcw n SER 4 Ca -0.14 -0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 57.83 1tcw n SER 4 Cb 0.49 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1tcw n SER 4 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tcw n LEU 5 N -0.99 -0.74 0.11 1.04 4.32 -1.26 -4.85 117.00 114.63 1tcw n LEU 5 Ca 0.14 0.28 0.08 0.00 -0.02 0.00 0.00 56.01 56.49 1tcw n LEU 5 Cb 0.28 -1.91 0.02 0.00 -1.62 0.00 0.00 43.42 40.18 1tcw n LEU 5 CO 0.24 -0.66 0.15 -0.50 -1.22 0.00 0.00 177.39 175.40 1tcw h TRP 6 N 0.00 0.00 -2.22 -1.77 4.06 -2.03 -3.45 115.95 110.54 1tcw h TRP 6 Ca -0.23 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.16 1tcw h TRP 6 Cb 0.80 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.83 1tcw h TRP 6 CO 0.36 0.19 -0.64 1.03 -3.56 0.00 0.00 178.44 175.82 1tcw s ARG 7 N -3.19 1.75 0.04 0.49 0.52 -1.26 -5.11 118.95 112.20 1tcw s ARG 7 Ca 0.01 -1.94 -0.31 0.00 -0.52 0.00 0.00 55.73 52.97 1tcw s ARG 7 Cb 0.08 -1.38 -0.06 0.00 0.52 0.00 0.00 34.95 34.11 1tcw s ARG 7 CO 0.77 0.00 1.24 1.03 0.02 0.00 0.00 175.30 178.36 1tcw s ARG 8 N -3.72 4.39 -1.10 3.54 0.52 -1.26 -4.90 118.95 116.42 1tcw s ARG 8 Ca 0.33 1.81 -0.24 0.00 -0.52 0.00 0.00 55.73 57.11 1tcw s ARG 8 Cb 0.06 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.05 1tcw s ARG 8 CO 0.15 -0.34 1.97 -1.25 0.02 0.00 0.00 175.30 175.86 1tcw s PRO 9 N 1.36 2.34 -0.20 3.54 0.04 -1.26 -4.89 135.00 135.94 1tcw s PRO 9 Ca 0.59 -0.86 -0.11 0.00 0.04 0.00 0.00 61.00 60.67 1tcw s PRO 9 Cb -0.30 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 29.03 1tcw s PRO 9 CO 0.28 -4.03 0.16 0.08 0.04 0.00 0.00 177.00 173.53 1tcw s VAL 10 N 11.57 5.39 0.08 -0.36 1.01 -1.26 -1.79 120.40 135.04 1tcw s VAL 10 Ca 0.71 0.26 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1tcw s VAL 10 Cb -0.03 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1tcw s VAL 10 CO 0.11 0.42 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1tcw s VAL 11 N 0.43 1.13 -0.16 2.92 1.01 -0.19 -4.95 120.40 120.59 1tcw s VAL 11 Ca 0.10 -1.40 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1tcw s VAL 11 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1tcw s VAL 11 CO -0.00 -0.29 0.41 -0.89 0.00 0.00 0.00 175.10 174.33 1tcw s THR 12 N -1.53 5.21 0.29 3.92 2.01 -1.26 -0.86 115.64 123.43 1tcw s THR 12 Ca 0.00 0.78 0.10 0.00 0.31 0.00 0.00 61.69 62.88 1tcw s THR 12 Cb -0.08 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1tcw s THR 12 CO 0.02 0.30 -0.13 0.00 -0.69 0.00 0.00 174.62 174.12 1tcw s ALA 13 N 0.91 2.63 -0.15 7.40 0.00 0.78 -4.55 121.76 128.79 1tcw s ALA 13 Ca 0.21 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1tcw s ALA 13 Cb -0.14 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1tcw s ALA 13 CO 0.08 0.12 -0.16 -1.01 0.00 0.00 0.00 175.76 174.79 1tcw s HIS 14 N -2.71 2.26 -0.29 0.00 3.76 0.40 -1.21 115.29 117.51 1tcw s HIS 14 Ca 0.30 -1.24 -0.05 0.00 -0.15 0.00 0.00 55.06 53.91 1tcw s HIS 14 Cb -0.00 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 32.08 1tcw s HIS 14 CO 0.14 -0.65 0.03 0.42 -0.85 0.00 0.00 174.74 173.83 1tcw s ILE 15 N 1.32 3.53 -1.19 0.60 1.01 -0.41 -0.79 121.20 125.28 1tcw s ILE 15 Ca 0.02 -0.90 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 1tcw s ILE 15 Cb -0.13 -2.85 0.04 0.00 0.01 0.00 0.00 42.46 39.53 1tcw s ILE 15 CO -0.09 0.07 0.68 1.21 0.00 0.00 0.00 174.94 176.82 1tcw n GLU 16 N 4.78 -0.35 0.00 2.79 4.07 -0.34 -0.24 120.64 131.35 1tcw n GLU 16 Ca -0.15 0.13 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1tcw n GLU 16 Cb 0.47 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 1tcw n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tcw n GLY 17 N -2.06 1.17 3.73 8.31 0.00 -1.26 -5.00 105.19 110.08 1tcw n GLY 17 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1tcw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tcw s GLN 18 N 0.00 4.18 -0.19 1.61 -0.21 0.66 -4.93 119.66 120.78 1tcw s GLN 18 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 55.36 57.55 1tcw s GLN 18 Cb 0.00 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.92 1tcw s GLN 18 CO 0.00 -0.61 1.04 -1.25 -2.12 0.00 0.00 175.29 172.35 1tcw s PRO 19 N 0.47 4.30 0.03 2.91 0.04 -1.26 -1.28 135.00 140.21 1tcw s PRO 19 Ca 0.67 1.38 0.01 0.00 0.04 0.00 0.00 61.00 63.11 1tcw s PRO 19 Cb -0.46 -3.62 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 1tcw s PRO 19 CO 0.38 -0.54 -0.05 0.14 0.04 0.00 0.00 177.00 176.96 1tcw s VAL 20 N 2.87 0.34 -0.06 -0.36 -7.23 -0.35 -4.98 120.40 110.63 1tcw s VAL 20 Ca 0.46 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.61 1tcw s VAL 20 Cb -0.16 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 1tcw s VAL 20 CO 0.10 -0.35 0.37 -1.61 -0.31 0.00 0.00 175.10 173.30 1tcw s GLU 21 N -1.30 4.00 0.03 4.82 2.02 -1.26 -0.15 118.70 126.86 1tcw s GLU 21 Ca -0.10 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1tcw s GLU 21 Cb -0.09 -3.29 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1tcw s GLU 21 CO -0.00 0.53 -0.04 0.54 0.02 0.00 0.00 175.26 176.31 1tcw s VAL 22 N -0.52 0.24 -0.13 2.63 0.11 -0.03 -4.66 120.40 118.04 1tcw s VAL 22 Ca 0.22 -1.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.00 1tcw s VAL 22 Cb -0.15 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 1tcw s VAL 22 CO 0.10 -0.57 0.30 -0.22 -3.33 0.00 0.00 175.10 171.38 1tcw s LEU 23 N -1.79 4.31 -0.60 2.54 0.20 -0.58 -1.02 118.68 121.74 1tcw s LEU 23 Ca -0.10 0.59 -0.23 0.00 0.69 0.00 0.00 54.13 55.08 1tcw s LEU 23 Cb -0.06 -2.38 0.06 0.00 -0.43 0.00 0.00 46.19 43.37 1tcw s LEU 23 CO -0.02 0.18 0.94 -0.76 -0.29 0.00 0.00 176.35 176.39 1tcw s LEU 24 N -0.01 4.28 -0.43 -0.68 1.02 -0.74 -0.55 118.68 121.58 1tcw s LEU 24 Ca 0.18 -0.70 -0.11 0.00 0.02 0.00 0.00 54.13 53.51 1tcw s LEU 24 Cb -0.14 -2.60 0.07 0.00 0.02 0.00 0.00 46.19 43.54 1tcw s LEU 24 CO 0.06 -1.32 0.29 -0.62 0.02 0.00 0.00 176.35 174.77 1tcw s ASP 25 N 3.25 5.80 0.27 2.29 -1.08 -0.05 -4.79 116.67 122.36 1tcw s ASP 25 Ca 0.25 -1.35 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 1tcw s ASP 25 Cb -0.15 -2.05 0.88 0.00 -1.46 0.00 0.00 42.92 40.14 1tcw s ASP 25 CO 0.14 -0.54 1.76 0.71 0.52 0.00 0.00 175.17 177.76 1tcw h THR 26 N 5.94 0.00 -0.32 1.71 1.35 -1.94 -3.10 112.91 116.55 1tcw h THR 26 Ca -0.25 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1tcw h THR 26 Cb 1.09 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1tcw h THR 26 CO 0.77 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1tcw n GLY 27 N 0.72 0.70 3.39 5.82 0.00 -1.26 -4.72 105.19 109.84 1tcw n GLY 27 Ca 0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1tcw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tcw s ALA 28 N -1.57 2.54 0.18 4.61 0.00 -1.17 -5.03 121.76 121.31 1tcw s ALA 28 Ca 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1tcw s ALA 28 Cb 0.15 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.33 1tcw s ALA 28 CO 0.21 0.42 1.41 -0.44 0.00 0.00 0.00 175.76 177.36 1tcw h ASP 29 N 5.97 0.29 -5.12 0.00 5.19 -1.89 0.83 116.42 121.69 1tcw h ASP 29 Ca -0.36 -0.22 -0.69 0.00 -0.62 0.00 0.00 57.03 55.14 1tcw h ASP 29 Cb 1.18 -0.09 -0.13 0.00 0.18 0.00 0.00 39.33 40.47 1tcw h ASP 29 CO 0.51 0.99 -0.50 0.47 -3.12 0.00 0.00 179.24 177.59 1tcw n ASP 30 N -3.72 3.46 -4.03 6.45 8.00 -1.26 -3.23 116.55 122.22 1tcw n ASP 30 Ca -0.04 -3.31 -0.31 0.00 0.71 0.00 0.00 54.79 51.84 1tcw n ASP 30 Cb 0.76 0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 42.07 1tcw n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1tcw s SER 31 N -3.92 3.44 -0.16 -2.24 0.01 -1.26 -2.23 113.70 107.33 1tcw s SER 31 Ca 0.01 -0.88 -0.01 0.00 1.31 0.00 0.00 55.95 56.37 1tcw s SER 31 Cb -0.00 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 1tcw s SER 31 CO 0.00 -0.12 -0.11 -0.63 0.41 0.00 0.00 173.24 172.79 1tcw s ILE 32 N 1.34 3.04 0.18 1.44 -1.09 -0.78 -1.21 121.20 124.12 1tcw s ILE 32 Ca -0.01 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 57.81 1tcw s ILE 32 Cb -0.16 -2.31 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1tcw s ILE 32 CO -0.09 0.49 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.37 1tcw s VAL 33 N 0.81 1.13 0.24 2.92 1.01 0.63 -1.45 120.40 125.69 1tcw s VAL 33 Ca -0.04 -2.05 0.03 0.00 0.00 0.00 0.00 61.98 59.91 1tcw s VAL 33 Cb -0.15 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1tcw s VAL 33 CO 0.01 -0.56 0.02 0.28 0.00 0.00 0.00 175.10 174.85 1tcw s THR 34 N -3.36 0.91 0.00 3.92 -1.32 -1.26 -1.68 115.64 112.84 1tcw s THR 34 Ca 0.22 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1tcw s THR 34 Cb 0.04 -2.42 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1tcw s THR 34 CO 0.04 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1tcw n GLY 35 N -0.43 0.77 3.34 6.08 0.00 -1.26 -5.01 105.19 108.68 1tcw n GLY 35 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1tcw n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1tcw s ILE 36 N -2.90 2.09 -0.32 -0.61 -0.00 -1.26 -5.10 121.20 113.10 1tcw s ILE 36 Ca 0.00 -1.47 -0.09 0.00 -0.00 0.00 0.00 60.65 59.10 1tcw s ILE 36 Cb 0.00 -1.81 0.01 0.00 -0.00 0.00 0.00 42.46 40.66 1tcw s ILE 36 CO 0.00 0.26 0.13 -1.83 -0.00 0.00 0.00 174.94 173.50 1tcw s GLU 37 N -1.47 3.11 0.00 0.37 1.03 -1.26 -4.98 118.70 115.50 1tcw s GLU 37 Ca 0.12 -0.86 0.14 0.00 0.03 0.00 0.00 54.97 54.40 1tcw s GLU 37 Cb -0.10 -3.52 0.15 0.00 -0.80 0.00 0.00 34.13 29.86 1tcw s GLU 37 CO 0.03 -0.49 1.01 1.28 -1.33 0.00 0.00 175.26 175.75 1tcw n LEU 38 N 4.93 2.33 0.00 1.83 4.32 -1.26 -5.11 117.00 124.05 1tcw n LEU 38 Ca -0.14 -1.14 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 1tcw n LEU 38 Cb 0.48 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1tcw n LEU 38 CO 0.33 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.57 1tcw n GLY 39 N 0.80 1.53 0.96 -0.72 0.00 -1.26 -4.75 105.19 101.76 1tcw n GLY 39 Ca 0.09 -2.17 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1tcw n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tcw n PRO 40 N -0.27 1.29 -3.63 1.61 -0.04 -1.26 -4.67 135.00 128.03 1tcw n PRO 40 Ca 0.00 -0.39 -0.27 0.00 -0.04 0.00 0.00 63.50 62.80 1tcw n PRO 40 Cb 0.00 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 1tcw n PRO 40 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1tcw n HIS 41 N 0.21 1.71 -4.44 0.54 8.25 -1.26 -5.06 115.22 115.17 1tcw n HIS 41 Ca 0.06 -3.92 -0.21 0.00 -0.26 0.00 0.00 57.72 53.38 1tcw n HIS 41 Cb 0.54 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 1tcw n HIS 41 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1tcw s TYR 42 N -1.10 1.95 -0.15 4.41 1.13 -1.26 -4.78 117.35 117.55 1tcw s TYR 42 Ca 0.30 -0.93 -0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1tcw s TYR 42 Cb 0.02 -1.26 -0.01 0.00 -1.10 0.00 0.00 41.96 39.62 1tcw s TYR 42 CO -0.16 0.03 -0.14 0.99 -2.51 0.00 0.00 175.55 173.77 1tcw s THR 43 N -3.27 2.83 0.27 -3.49 2.01 -0.73 -4.92 115.64 108.35 1tcw s THR 43 Ca 0.36 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1tcw s THR 43 Cb 0.08 -2.20 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1tcw s THR 43 CO 0.15 0.51 1.08 -2.16 -0.69 0.00 0.00 174.62 173.51 1tcw s PRO 44 N 0.65 4.67 0.28 4.92 0.04 -1.26 -0.71 135.00 143.59 1tcw s PRO 44 Ca -0.07 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1tcw s PRO 44 Cb -0.16 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1tcw s PRO 44 CO 0.02 0.25 0.27 0.15 0.04 0.00 0.00 177.00 177.73 1tcw s LYS 45 N -1.40 1.56 -0.07 4.56 -0.14 0.27 -4.91 119.74 119.61 1tcw s LYS 45 Ca 0.44 -1.78 -0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1tcw s LYS 45 Cb -0.31 0.34 0.04 0.00 -1.68 0.00 0.00 37.83 36.22 1tcw s LYS 45 CO 0.40 -0.58 0.15 -1.50 -0.76 0.00 0.00 175.35 173.06 1tcw s ILE 46 N -3.69 -0.14 0.19 2.17 2.07 -1.26 -0.34 121.20 120.20 1tcw s ILE 46 Ca 0.37 0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.95 1tcw s ILE 46 Cb 0.03 -0.26 -0.05 0.00 0.13 0.00 0.00 42.46 42.32 1tcw s ILE 46 CO 0.19 0.11 -0.15 0.68 -1.91 0.00 0.00 174.94 173.86 1tcw s VAL 47 N 1.68 1.70 0.39 4.00 -7.23 0.29 -4.93 120.40 116.30 1tcw s VAL 47 Ca -0.04 -2.13 0.08 0.00 -1.81 0.00 0.00 61.98 58.08 1tcw s VAL 47 Cb -0.12 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 1tcw s VAL 47 CO -0.06 -0.55 0.03 -0.83 -0.31 0.00 0.00 175.10 173.38 1tcw s GLY 48 N -3.16 2.37 0.00 2.32 0.00 -1.26 0.17 107.32 107.77 1tcw s GLY 48 Ca 0.20 -2.19 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1tcw s GLY 48 CO 0.06 -2.03 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1tcw n GLY 49 N -1.00 1.43 3.66 0.20 0.00 -1.06 -4.95 105.19 103.47 1tcw n GLY 49 Ca -0.04 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1tcw n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tcw s ILE 50 N -2.12 3.87 0.00 -0.61 1.01 -1.26 -3.24 121.20 118.86 1tcw s ILE 50 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1tcw s ILE 50 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1tcw s ILE 50 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.46 1tcw n GLY 51 N 3.91 1.86 0.00 6.18 0.00 -1.26 -5.00 105.19 110.89 1tcw n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1tcw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tcw n GLY 52 N -1.29 0.82 3.89 -0.02 0.00 -1.20 -5.09 105.19 102.30 1tcw n GLY 52 Ca 0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 1tcw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tcw s PHE 53 N -0.97 3.55 -0.04 1.61 0.40 -1.26 -2.55 117.98 118.73 1tcw s PHE 53 Ca 0.00 0.98 -0.05 0.00 -0.60 0.00 0.00 56.93 57.26 1tcw s PHE 53 Cb 0.00 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 41.11 1tcw s PHE 53 CO 0.00 -0.32 0.13 -1.50 0.70 0.00 0.00 175.22 174.23 1tcw s ILE 54 N -2.73 0.02 0.01 0.64 1.10 0.13 -4.96 121.20 115.41 1tcw s ILE 54 Ca 0.50 -0.18 -0.21 0.00 -0.51 0.00 0.00 60.65 60.24 1tcw s ILE 54 Cb -0.10 -0.25 -0.06 0.00 0.15 0.00 0.00 42.46 42.20 1tcw s ILE 54 CO 0.43 -0.10 0.63 0.20 -2.11 0.00 0.00 174.94 173.99 1tcw s ASN 55 N -0.30 7.03 0.28 4.50 -0.87 -1.26 -0.55 114.94 123.78 1tcw s ASN 55 Ca -0.04 1.23 0.07 0.00 -1.57 0.00 0.00 52.86 52.56 1tcw s ASN 55 Cb -0.03 -2.39 -0.06 0.00 -0.02 0.00 0.00 41.25 38.76 1tcw s ASN 55 CO 0.00 0.10 -0.08 -0.89 -2.57 0.00 0.00 177.10 173.66 1tcw s THR 56 N -0.26 1.80 -0.25 1.60 2.01 0.54 -4.48 115.64 116.61 1tcw s THR 56 Ca 0.32 -2.16 0.02 0.00 0.31 0.00 0.00 61.69 60.17 1tcw s THR 56 Cb -0.19 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 69.96 1tcw s THR 56 CO 0.19 -0.32 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.19 1tcw s LYS 57 N -3.69 1.79 0.01 4.92 1.02 -0.76 -0.57 119.74 122.47 1tcw s LYS 57 Ca 0.29 -1.15 -0.20 0.00 0.02 0.00 0.00 55.97 54.93 1tcw s LYS 57 Cb 0.03 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1tcw s LYS 57 CO 0.12 -0.61 0.59 -2.00 -0.92 0.00 0.00 175.35 172.53 1tcw s GLU 58 N 1.28 4.29 -0.09 1.68 2.12 0.12 -0.97 118.70 127.14 1tcw s GLU 58 Ca -0.06 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1tcw s GLU 58 Cb -0.19 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1tcw s GLU 58 CO -0.06 0.42 -0.07 0.71 -0.54 0.00 0.00 175.26 175.71 1tcw s TYR 59 N -0.37 1.27 0.39 5.30 1.51 -0.37 -1.77 117.35 123.31 1tcw s TYR 59 Ca 0.30 -0.54 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1tcw s TYR 59 Cb -0.18 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.61 1tcw s TYR 59 CO 0.17 -0.38 0.57 0.15 -1.11 0.00 0.00 175.55 174.95 1tcw s LYS 60 N 1.35 3.07 -1.27 -0.62 -0.14 -1.26 -0.94 119.74 119.94 1tcw s LYS 60 Ca -0.02 -0.78 -0.19 0.00 -1.36 0.00 0.00 55.97 53.62 1tcw s LYS 60 Cb -0.14 -2.70 0.01 0.00 -1.68 0.00 0.00 37.83 33.33 1tcw s LYS 60 CO -0.04 -0.11 0.59 0.09 -0.76 0.00 0.00 175.35 175.12 1tcw n ASN 61 N -1.86 -3.16 -4.66 2.83 4.13 -1.23 -4.92 115.26 106.40 1tcw n ASN 61 Ca 0.01 -1.14 -0.35 0.00 1.68 0.00 0.00 54.58 54.78 1tcw n ASN 61 Cb 0.58 -2.52 -0.09 0.00 -1.54 0.00 0.00 39.78 36.20 1tcw n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1tcw s VAL 62 N -3.70 4.76 -0.14 2.41 1.01 -0.76 -4.83 120.40 119.14 1tcw s VAL 62 Ca 0.33 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1tcw s VAL 62 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1tcw s VAL 62 CO 0.92 0.50 1.32 -0.75 0.00 0.00 0.00 175.10 177.09 1tcw s LYS 63 N 0.06 4.23 -0.04 2.72 2.20 -1.26 -1.51 119.74 126.13 1tcw s LYS 63 Ca 0.05 1.75 0.03 0.00 -0.36 0.00 0.00 55.97 57.44 1tcw s LYS 63 Cb -0.12 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 1tcw s LYS 63 CO 0.01 -0.72 -0.13 0.42 -0.36 0.00 0.00 175.35 174.57 1tcw s ILE 64 N 3.54 1.10 -0.19 5.43 1.01 0.74 -1.20 121.20 131.63 1tcw s ILE 64 Ca 0.58 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1tcw s ILE 64 Cb -0.24 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1tcw s ILE 64 CO 0.17 0.33 -0.11 -1.61 0.00 0.00 0.00 174.94 173.72 1tcw s GLU 65 N 0.21 2.12 -0.15 2.79 2.02 0.03 -0.40 118.70 125.31 1tcw s GLU 65 Ca -0.05 -0.79 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 1tcw s GLU 65 Cb -0.11 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.80 1tcw s GLU 65 CO 0.02 -0.38 0.40 0.54 0.02 0.00 0.00 175.26 175.85 1tcw s VAL 66 N 1.41 -0.00 -1.57 2.63 0.11 -0.86 -0.45 120.40 121.66 1tcw s VAL 66 Ca 0.00 0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 1tcw s VAL 66 Cb -0.15 -0.57 0.10 0.00 -1.53 0.00 0.00 36.38 34.23 1tcw s VAL 66 CO -0.09 0.01 0.80 0.18 -3.33 0.00 0.00 175.10 172.67 1tcw n LEU 67 N 3.07 -2.19 0.00 2.54 4.77 -1.26 -1.66 117.00 122.27 1tcw n LEU 67 Ca -0.15 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1tcw n LEU 67 Cb 0.57 -2.32 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1tcw n LEU 67 CO 0.13 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1tcw n GLY 68 N -1.61 1.23 3.77 -0.72 0.00 -1.26 -5.02 105.19 101.59 1tcw n GLY 68 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1tcw n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tcw s LYS 69 N -0.03 2.35 -0.06 1.61 -0.14 -0.66 -5.11 119.74 117.69 1tcw s LYS 69 Ca 0.00 -1.67 -0.03 0.00 -1.36 0.00 0.00 55.97 52.91 1tcw s LYS 69 Cb 0.00 -2.14 0.04 0.00 -1.68 0.00 0.00 37.83 34.05 1tcw s LYS 69 CO 0.00 -0.06 0.13 0.50 -0.76 0.00 0.00 175.35 175.17 1tcw s ARG 70 N -3.94 0.06 0.18 1.68 6.06 -1.26 -2.03 118.95 119.71 1tcw s ARG 70 Ca 0.41 0.38 -0.01 0.00 -2.50 0.00 0.00 55.73 54.02 1tcw s ARG 70 Cb 0.00 -0.21 -0.04 0.00 0.06 0.00 0.00 34.95 34.76 1tcw s ARG 70 CO 0.24 -0.19 0.10 0.96 -2.50 0.00 0.00 175.30 173.91 1tcw s ILE 71 N 1.36 0.06 -0.04 4.11 -4.36 0.46 -5.00 121.20 117.79 1tcw s ILE 71 Ca -0.07 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.40 1tcw s ILE 71 Cb -0.12 -2.34 -0.00 0.00 1.25 0.00 0.00 42.46 41.25 1tcw s ILE 71 CO -0.05 -0.17 -0.19 -0.75 0.24 0.00 0.00 174.94 174.02 1tcw s LYS 72 N -4.11 1.89 0.06 0.37 2.20 -1.25 -0.19 119.74 118.71 1tcw s LYS 72 Ca 0.34 -0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 1tcw s LYS 72 Cb 0.07 -1.65 0.08 0.00 -1.51 0.00 0.00 37.83 34.83 1tcw s LYS 72 CO 0.08 0.27 1.14 0.41 -0.36 0.00 0.00 175.35 176.90 1tcw n GLY 73 N 3.08 0.39 3.64 5.54 0.00 -0.57 -4.85 105.19 112.42 1tcw n GLY 73 Ca -0.18 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1tcw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tcw s THR 74 N -2.04 5.07 0.10 2.61 2.01 -1.26 -1.83 115.64 120.29 1tcw s THR 74 Ca 0.26 0.99 0.10 0.00 0.31 0.00 0.00 61.69 63.35 1tcw s THR 74 Cb -0.02 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1tcw s THR 74 CO 0.02 0.12 -0.26 0.27 -0.69 0.00 0.00 174.62 174.08 1tcw s ILE 75 N 2.00 2.11 -0.07 1.82 -4.36 -0.11 -4.56 121.20 118.03 1tcw s ILE 75 Ca 0.24 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1tcw s ILE 75 Cb -0.16 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 1tcw s ILE 75 CO 0.09 0.14 -0.11 -0.04 0.24 0.00 0.00 174.94 175.27 1tcw s MET 76 N -1.79 2.74 0.05 0.37 -1.94 -0.35 -1.24 119.30 117.15 1tcw s MET 76 Ca 0.12 -0.63 0.05 0.00 -1.71 0.00 0.00 55.69 53.52 1tcw s MET 76 Cb -0.10 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 1tcw s MET 76 CO 0.05 0.58 -0.10 0.95 -0.01 0.00 0.00 175.02 176.49 1tcw s THR 77 N -0.60 3.40 -0.05 2.05 -4.23 -0.14 -0.27 115.64 115.81 1tcw s THR 77 Ca 0.09 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.41 1tcw s THR 77 Cb -0.11 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1tcw s THR 77 CO 0.01 0.27 0.65 0.61 -0.54 0.00 0.00 174.62 175.63 1tcw n GLY 78 N 1.21 0.24 3.25 3.99 0.00 -0.68 -1.83 105.19 111.38 1tcw n GLY 78 Ca -0.15 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1tcw n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tcw n ASP 79 N -0.48 5.17 -4.78 1.61 9.92 -1.26 -4.30 116.55 122.44 1tcw n ASP 79 Ca 0.03 -3.02 -0.36 0.00 -0.53 0.00 0.00 54.79 50.91 1tcw n ASP 79 Cb 0.28 -1.54 -0.07 0.00 -0.64 0.00 0.00 41.12 39.14 1tcw n ASP 79 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1tcw s THR 80 N 1.19 5.44 0.16 -3.53 -1.32 -1.26 -4.97 115.64 111.34 1tcw s THR 80 Ca 0.42 0.20 0.27 0.00 -1.21 0.00 0.00 61.69 61.36 1tcw s THR 80 Cb 0.02 -3.45 0.28 0.00 -1.51 0.00 0.00 72.50 67.84 1tcw s THR 80 CO 0.00 0.50 1.89 1.55 -2.21 0.00 0.00 174.62 176.35 1tcw h PRO 81 N 6.15 0.00 -4.63 7.08 0.13 -1.98 -3.44 132.00 135.31 1tcw h PRO 81 Ca -0.45 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 1tcw h PRO 81 Cb 1.17 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1tcw h PRO 81 CO 0.70 0.16 -0.78 0.42 -0.23 0.00 0.00 178.00 178.27 1tcw s ILE 82 N -3.72 0.73 0.04 -3.56 1.01 -1.26 -5.12 121.20 109.31 1tcw s ILE 82 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.01 1tcw s ILE 82 Cb 0.10 -0.63 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1tcw s ILE 82 CO 0.61 0.22 0.90 0.20 0.00 0.00 0.00 174.94 176.87 1tcw s ASN 83 N 0.02 7.34 0.01 3.58 0.01 -1.26 -4.88 114.94 119.76 1tcw s ASN 83 Ca -0.00 1.61 0.03 0.00 -0.71 0.00 0.00 52.86 53.79 1tcw s ASN 83 Cb -0.06 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1tcw s ASN 83 CO 0.00 -0.12 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.75 1tcw s ILE 84 N 0.43 0.66 -0.23 0.60 1.01 -0.53 -1.52 121.20 121.62 1tcw s ILE 84 Ca 0.46 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1tcw s ILE 84 Cb -0.21 -0.58 0.04 0.00 0.01 0.00 0.00 42.46 41.71 1tcw s ILE 84 CO 0.27 0.08 -0.13 -0.36 0.00 0.00 0.00 174.94 174.79 1tcw s PHE 85 N -0.42 3.03 0.24 3.97 0.40 0.29 -1.87 117.98 123.62 1tcw s PHE 85 Ca 0.01 -1.87 0.02 0.00 -0.60 0.00 0.00 56.93 54.49 1tcw s PHE 85 Cb -0.04 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.57 1tcw s PHE 85 CO -0.00 -0.81 0.33 0.41 0.70 0.00 0.00 175.22 175.84 1tcw n GLY 86 N 4.57 1.42 0.31 4.36 0.00 -0.95 -0.87 105.19 114.03 1tcw n GLY 86 Ca -0.17 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 43.86 1tcw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tcw h ARG 87 N 0.00 0.16 -1.01 1.61 3.08 -0.94 -1.42 114.38 115.86 1tcw h ARG 87 Ca -0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1tcw h ARG 87 Cb 0.46 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1tcw h ARG 87 CO 0.14 0.10 0.65 -2.95 -1.07 0.00 0.00 179.97 176.85 1tcw h ASN 88 N 0.16 1.06 0.39 7.04 -1.07 -1.80 0.11 115.58 121.47 1tcw h ASN 88 Ca 0.12 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.18 1tcw h ASN 88 Cb 0.27 -0.23 -0.04 0.00 -2.07 0.00 0.00 38.32 36.25 1tcw h ASN 88 CO -0.02 0.69 -1.78 0.18 0.07 0.00 0.00 177.43 176.57 1tcw n LEU 89 N -4.48 1.41 0.05 6.14 4.77 -0.77 -3.70 117.00 120.42 1tcw n LEU 89 Ca 0.15 0.36 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 1tcw n LEU 89 Cb 0.15 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.23 1tcw n LEU 89 CO 0.33 0.53 0.70 -0.07 -1.33 0.00 0.00 177.39 177.54 1tcw h LEU 90 N 0.02 0.40 -0.80 2.23 3.38 -1.08 -2.79 115.31 116.67 1tcw h LEU 90 Ca -0.32 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1tcw h LEU 90 Cb 2.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1tcw h LEU 90 CO 0.08 0.70 -0.41 0.71 0.09 0.00 0.00 178.44 179.62 1tcw h THR 91 N 0.34 1.31 -0.52 0.22 1.35 -1.12 -2.26 112.91 112.23 1tcw h THR 91 Ca 0.04 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.33 1tcw h THR 91 Cb 0.73 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 1tcw h THR 91 CO 0.06 0.48 0.25 0.00 -0.25 0.00 0.00 175.52 176.06 1tcw h ALA 92 N 1.23 1.47 -0.00 6.62 0.00 -1.57 -0.76 119.26 126.24 1tcw h ALA 92 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tcw h ALA 92 Cb 0.87 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1tcw h ALA 92 CO 0.07 0.43 -0.10 1.28 0.00 0.00 0.00 179.25 180.93 1tcw n LEU 93 N -4.38 0.57 -1.35 0.00 4.77 -1.08 -4.94 117.00 110.60 1tcw n LEU 93 Ca 0.04 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.84 1tcw n LEU 93 Cb 0.12 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1tcw n LEU 93 CO 0.37 0.10 -0.15 0.61 -1.33 0.00 0.00 177.39 176.99 1tcw n GLY 94 N 1.25 -0.08 3.88 -0.72 0.00 -0.29 -5.00 105.19 104.23 1tcw n GLY 94 Ca 0.16 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1tcw n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1tcw s MET 95 N -4.55 3.07 0.22 1.61 -1.94 -0.89 -5.04 119.30 111.79 1tcw s MET 95 Ca 0.00 0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 54.32 1tcw s MET 95 Cb 0.00 -2.05 0.02 0.00 2.01 0.00 0.00 34.83 34.82 1tcw s MET 95 CO 0.00 -0.89 0.57 -1.54 -0.01 0.00 0.00 175.02 173.15 1tcw s SER 96 N -4.31 -0.26 -0.16 3.03 1.04 -1.26 -4.78 113.70 107.00 1tcw s SER 96 Ca 0.57 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 56.38 1tcw s SER 96 Cb -0.11 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1tcw s SER 96 CO 0.52 -1.13 0.12 -0.76 0.98 0.00 0.00 173.24 172.97 1tcw s LEU 97 N -2.90 4.23 0.01 2.42 1.43 -1.26 -5.09 118.68 117.52 1tcw s LEU 97 Ca 0.11 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1tcw s LEU 97 Cb -0.02 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1tcw s LEU 97 CO 0.00 0.29 -0.15 0.20 0.23 0.00 0.00 176.35 176.92 1tcw s ASN 98 N -0.30 1.78 0.00 2.29 0.01 -1.26 -5.30 114.94 112.17 1tcw s ASN 98 Ca 0.11 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1tcw s ASN 98 Cb -0.12 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.37 1tcw s ASN 98 CO 0.01 0.14 0.29 -0.11 -1.51 0.00 0.00 177.10 175.92