#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8k s SER 12 N 0.00 6.32 0.24 7.72 0.01 -1.26 -5.02 113.70 121.71 1b8k s SER 12 Ca 0.00 0.14 0.13 0.00 1.31 0.00 0.00 55.95 57.53 1b8k s SER 12 Cb 0.00 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.37 1b8k s SER 12 CO 0.00 -0.10 1.42 -0.37 0.41 0.00 0.00 173.24 174.60 1b8k h VAL 13 N 1.14 1.14 -4.05 3.43 -1.51 -1.97 -3.44 116.25 110.99 1b8k h VAL 13 Ca -0.51 -2.53 -0.46 0.00 -1.23 0.00 0.00 66.70 61.96 1b8k h VAL 13 Cb 1.23 2.51 -0.25 0.00 -2.13 0.00 0.00 31.29 32.65 1b8k h VAL 13 CO 0.62 0.63 -0.80 0.00 -1.23 0.00 0.00 177.57 176.79 1b8k s ASP 15 N -1.21 6.44 0.28 0.00 1.01 -1.26 -5.02 116.67 116.91 1b8k s ASP 15 Ca 0.02 0.50 0.03 0.00 0.71 0.00 0.00 52.55 53.81 1b8k s ASP 15 Cb -0.08 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1b8k s ASP 15 CO 0.01 0.33 0.17 -0.94 0.21 0.00 0.00 175.17 174.96 1b8k s SER 16 N -1.41 1.22 -0.09 0.27 1.04 -1.26 -1.39 113.70 112.08 1b8k s SER 16 Ca 0.22 -1.55 -0.05 0.00 0.48 0.00 0.00 55.95 55.05 1b8k s SER 16 Cb -0.13 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.44 1b8k s SER 16 CO 0.11 -0.90 0.21 -1.83 0.98 0.00 0.00 173.24 171.81 1b8k s GLU 17 N -3.84 0.18 0.11 4.02 -1.05 -0.33 -4.76 118.70 113.04 1b8k s GLU 17 Ca 0.37 0.43 0.05 0.00 -0.15 0.00 0.00 54.97 55.68 1b8k s GLU 17 Cb 0.05 -0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.61 1b8k s GLU 17 CO 0.18 -0.13 0.01 -1.12 0.95 0.00 0.00 175.26 175.14 1b8k s SER 18 N 0.99 4.98 0.19 0.83 0.01 -1.26 -1.53 113.70 117.91 1b8k s SER 18 Ca -0.07 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1b8k s SER 18 Cb -0.09 -1.16 0.05 0.00 0.21 0.00 0.00 66.02 65.03 1b8k s SER 18 CO -0.06 0.15 0.73 -1.48 0.41 0.00 0.00 173.24 172.99 1b8k s LEU 19 N -2.49 -0.36 -0.23 2.44 2.34 -0.44 -5.00 118.68 114.94 1b8k s LEU 19 Ca 0.26 -0.31 -0.10 0.00 0.06 0.00 0.00 54.13 54.04 1b8k s LEU 19 Cb -0.11 2.52 -0.05 0.00 -0.56 0.00 0.00 46.19 47.99 1b8k s LEU 19 CO 0.19 -1.08 0.15 0.26 -1.06 0.00 0.00 176.35 174.81 1b8k s TRP 20 N -3.68 3.33 -0.27 3.48 0.52 -1.26 -1.65 118.94 119.41 1b8k s TRP 20 Ca 0.07 0.24 -0.07 0.00 0.02 0.00 0.00 56.10 56.36 1b8k s TRP 20 Cb -0.03 -2.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.03 1b8k s TRP 20 CO -0.02 0.11 0.08 0.08 0.02 0.00 0.00 176.95 177.21 1b8k s VAL 21 N 0.93 4.17 -0.52 4.03 1.01 0.13 -4.93 120.40 125.22 1b8k s VAL 21 Ca 0.08 -0.42 0.12 0.00 0.00 0.00 0.00 61.98 61.76 1b8k s VAL 21 Cb -0.13 -3.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.06 1b8k s VAL 21 CO 0.03 0.21 0.50 0.35 0.00 0.00 0.00 175.10 176.19 1b8k n THR 22 N 4.90 0.00 -0.45 3.92 -2.24 -1.26 -1.34 114.28 117.82 1b8k n THR 22 Ca -0.15 -0.22 0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1b8k n THR 22 Cb 0.50 0.90 0.29 0.00 -2.10 0.00 0.00 70.33 69.92 1b8k n THR 22 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b8k n ASP 23 N -1.37 3.96 -4.70 3.42 5.75 -1.26 -4.96 116.55 117.38 1b8k n ASP 23 Ca 0.02 -2.21 -0.42 0.00 -0.01 0.00 0.00 54.79 52.16 1b8k n ASP 23 Cb 0.21 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 1b8k n ASP 23 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1b8k s LYS 24 N -1.39 4.29 0.00 0.11 2.20 -1.26 -4.87 119.74 118.81 1b8k s LYS 24 Ca 0.43 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1b8k s LYS 24 Cb 0.25 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1b8k s LYS 24 CO 0.24 -0.54 0.25 -1.13 -0.36 0.00 0.00 175.35 173.81 1b8k n SER 25 N 4.82 0.36 -3.76 1.43 3.41 -1.26 -4.80 113.62 113.82 1b8k n SER 25 Ca 0.13 -1.06 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 1b8k n SER 25 Cb 0.43 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 1b8k n SER 25 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1b8k s SER 26 N -0.06 -0.22 0.04 4.04 0.15 -1.26 -1.49 113.70 114.91 1b8k s SER 26 Ca 0.00 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 1b8k s SER 26 Cb 0.00 0.37 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1b8k s SER 26 CO 0.00 -0.41 0.83 0.00 1.20 0.00 0.00 173.24 174.87 1b8k s ALA 27 N -1.13 -1.76 -0.21 5.45 0.00 -0.69 -4.85 121.76 118.57 1b8k s ALA 27 Ca -0.12 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 1b8k s ALA 27 Cb -0.05 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1b8k s ALA 27 CO 0.04 -0.73 0.50 0.42 0.00 0.00 0.00 175.76 175.98 1b8k s ILE 28 N -3.27 5.11 0.39 0.00 1.01 -1.26 -0.88 121.20 122.32 1b8k s ILE 28 Ca 0.05 0.91 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 1b8k s ILE 28 Cb -0.01 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.72 1b8k s ILE 28 CO -0.09 0.18 0.54 -0.90 0.00 0.00 0.00 174.94 174.67 1b8k n ASP 29 N 4.83 0.17 0.24 3.58 5.68 0.00 -2.68 116.55 128.38 1b8k n ASP 29 Ca -0.05 -1.27 0.09 0.00 -0.50 0.00 0.00 54.79 53.06 1b8k n ASP 29 Cb 0.50 -0.40 0.61 0.00 -1.14 0.00 0.00 41.12 40.70 1b8k n ASP 29 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1b8k h ILE 30 N -1.13 0.83 -0.02 2.12 2.10 -1.16 -1.61 117.51 118.64 1b8k h ILE 30 Ca -0.17 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.13 1b8k h ILE 30 Cb 0.51 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1b8k h ILE 30 CO 0.14 0.16 0.00 0.54 -1.08 0.00 0.00 178.15 177.91 1b8k n ARG 31 N -3.92 1.17 -0.88 2.19 1.74 -1.26 -4.91 116.66 110.79 1b8k n ARG 31 Ca -0.02 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1b8k n ARG 31 Cb 0.26 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1b8k n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b8k n GLY 32 N 0.98 0.86 3.87 -0.13 0.00 -0.60 -5.03 105.19 105.12 1b8k n GLY 32 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1b8k n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b8k s HIS 33 N -3.38 3.44 -0.38 1.61 3.76 -1.26 -4.77 115.29 114.31 1b8k s HIS 33 Ca 0.00 1.22 -0.13 0.00 -0.15 0.00 0.00 55.06 56.00 1b8k s HIS 33 Cb 0.00 -2.87 0.02 0.00 1.11 0.00 0.00 32.58 30.84 1b8k s HIS 33 CO 0.00 -0.96 0.25 -0.65 -0.85 0.00 0.00 174.74 172.54 1b8k s GLN 34 N -5.22 3.00 0.28 1.40 -1.52 -1.26 -0.82 119.66 115.52 1b8k s GLN 34 Ca 0.57 -0.98 0.10 0.00 -1.95 0.00 0.00 55.36 53.10 1b8k s GLN 34 Cb -0.11 -3.85 -0.05 0.00 -0.22 0.00 0.00 33.01 28.77 1b8k s GLN 34 CO 0.53 -0.68 -0.07 0.14 -0.25 0.00 0.00 175.29 174.97 1b8k s VAL 35 N 1.64 3.02 -0.02 1.09 -7.23 -0.05 -4.94 120.40 113.91 1b8k s VAL 35 Ca 0.04 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 57.91 1b8k s VAL 35 Cb -0.19 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1b8k s VAL 35 CO 0.09 -0.36 0.65 -0.89 -0.31 0.00 0.00 175.10 174.27 1b8k s THR 36 N -2.41 4.94 -0.27 5.32 2.01 -0.37 -1.70 115.64 123.16 1b8k s THR 36 Ca 0.31 1.35 -0.11 0.00 0.31 0.00 0.00 61.69 63.56 1b8k s THR 36 Cb -0.05 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1b8k s THR 36 CO 0.18 0.35 0.18 -0.69 -0.69 0.00 0.00 174.62 173.95 1b8k s VAL 37 N 0.18 5.27 0.84 3.82 1.01 -0.55 -0.31 120.40 130.66 1b8k s VAL 37 Ca 0.34 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1b8k s VAL 37 Cb -0.18 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.80 1b8k s VAL 37 CO 0.18 0.28 1.10 -0.76 0.00 0.00 0.00 175.10 175.90 1b8k s LEU 38 N 1.57 2.73 -0.03 3.92 1.43 -0.50 -4.52 118.68 123.28 1b8k s LEU 38 Ca 0.07 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1b8k s LEU 38 Cb -0.15 -4.35 -0.25 0.00 0.03 0.00 0.00 46.19 41.47 1b8k s LEU 38 CO 0.09 -2.47 0.71 1.23 0.23 0.00 0.00 176.35 176.14 1b8k h GLY 39 N -1.43 0.14 -2.05 -3.19 0.00 -1.87 -3.43 103.07 91.24 1b8k h GLY 39 Ca -0.45 -0.35 -0.55 0.00 0.00 0.00 0.00 47.33 45.97 1b8k h GLY 39 CO 0.50 0.31 -0.66 -0.54 0.00 0.00 0.00 176.54 176.15 1b8k s GLU 40 N -2.61 1.70 0.00 4.80 2.02 -1.26 -0.16 118.70 123.20 1b8k s GLU 40 Ca -0.09 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.02 1b8k s GLU 40 Cb 0.08 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1b8k s GLU 40 CO 0.82 0.05 0.00 -0.89 0.02 0.00 0.00 175.26 175.26 1b8k n ILE 41 N -0.71 0.00 -1.79 -1.63 5.41 -1.26 -4.77 119.36 114.61 1b8k n ILE 41 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1b8k n ILE 41 Cb 0.64 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1b8k n ILE 41 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1b8k n VAL 48 N -2.51 -5.30 -3.57 1.39 3.14 -1.26 -5.03 118.33 105.19 1b8k n VAL 48 Ca 0.00 2.45 -0.32 0.00 -2.96 0.00 0.00 64.34 63.50 1b8k n VAL 48 Cb 0.38 -3.26 -0.05 0.00 -1.06 0.00 0.00 33.84 29.85 1b8k n VAL 48 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1b8k s LYS 49 N -2.76 3.71 -0.44 1.45 -2.85 -1.26 -5.06 119.74 112.54 1b8k s LYS 49 Ca 0.00 0.09 -0.16 0.00 -1.00 0.00 0.00 55.97 54.90 1b8k s LYS 49 Cb 0.00 -2.83 0.04 0.00 -2.06 0.00 0.00 37.83 32.98 1b8k s LYS 49 CO 0.00 0.45 0.39 -1.14 0.10 0.00 0.00 175.35 175.14 1b8k s GLN 50 N -2.51 3.02 0.38 1.78 0.74 0.78 -4.95 119.66 118.90 1b8k s GLN 50 Ca 0.41 -1.03 0.04 0.00 0.05 0.00 0.00 55.36 54.83 1b8k s GLN 50 Cb -0.12 -4.03 -0.03 0.00 1.10 0.00 0.00 33.01 29.93 1b8k s GLN 50 CO 0.22 -0.89 0.11 1.52 -0.55 0.00 0.00 175.29 175.70 1b8k s TYR 51 N 1.87 1.80 0.05 1.67 1.13 -1.26 -4.82 117.35 117.79 1b8k s TYR 51 Ca 0.07 -1.22 0.00 0.00 -1.41 0.00 0.00 57.07 54.52 1b8k s TYR 51 Cb -0.20 -1.16 -0.04 0.00 -1.10 0.00 0.00 41.96 39.47 1b8k s TYR 51 CO 0.10 -0.25 -0.04 -0.06 -2.51 0.00 0.00 175.55 172.79 1b8k s PHE 52 N -3.27 0.56 -0.21 -3.49 0.40 -0.45 -4.97 117.98 106.55 1b8k s PHE 52 Ca 0.28 -0.89 -0.03 0.00 -0.60 0.00 0.00 56.93 55.68 1b8k s PHE 52 Cb 0.04 -0.38 -0.01 0.00 0.51 0.00 0.00 43.02 43.19 1b8k s PHE 52 CO 0.15 -0.27 -0.06 -0.47 0.70 0.00 0.00 175.22 175.27 1b8k s TYR 53 N -3.18 2.94 0.15 0.36 5.04 -1.26 0.21 117.35 121.61 1b8k s TYR 53 Ca 0.02 -0.98 0.05 0.00 -2.44 0.00 0.00 57.07 53.73 1b8k s TYR 53 Cb 0.03 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1b8k s TYR 53 CO -0.06 -0.55 -0.11 -1.21 -1.34 0.00 0.00 175.55 172.27 1b8k s GLU 54 N 1.42 1.07 -0.07 4.97 2.02 -0.66 -4.94 118.70 122.51 1b8k s GLU 54 Ca 0.05 -1.43 -0.03 0.00 0.02 0.00 0.00 54.97 53.59 1b8k s GLU 54 Cb -0.14 -0.71 0.04 0.00 0.10 0.00 0.00 34.13 33.43 1b8k s GLU 54 CO -0.04 0.10 0.14 -0.08 0.02 0.00 0.00 175.26 175.40 1b8k s THR 55 N -3.10 -0.21 0.40 3.63 -1.32 -1.06 -1.33 115.64 112.66 1b8k s THR 55 Ca 0.16 0.34 0.04 0.00 -1.21 0.00 0.00 61.69 61.02 1b8k s THR 55 Cb 0.01 -0.26 -0.05 0.00 -1.51 0.00 0.00 72.50 70.68 1b8k s THR 55 CO 0.01 0.14 0.04 0.00 -2.21 0.00 0.00 174.62 172.61 1b8k s ARG 56 N 2.11 1.90 0.78 7.08 3.03 -0.58 -1.22 118.95 132.04 1b8k s ARG 56 Ca 0.02 -2.11 -0.12 0.00 2.03 0.00 0.00 55.73 55.55 1b8k s ARG 56 Cb -0.12 -1.21 0.06 0.00 -1.03 0.00 0.00 34.95 32.66 1b8k s ARG 56 CO -0.05 -0.22 1.12 0.00 -1.13 0.00 0.00 175.30 175.01 1b8k n LYS 58 N -3.40 0.02 -0.89 0.00 4.81 -0.49 -4.65 118.16 113.56 1b8k n LYS 58 Ca 0.10 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1b8k n LYS 58 Cb 0.52 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 35.03 1b8k n LYS 58 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1b8k n GLU 59 N -2.55 -2.39 -0.06 1.64 -0.58 -1.26 -5.07 120.64 110.37 1b8k n GLU 59 Ca -0.00 1.84 0.00 0.00 -0.42 0.00 0.00 57.16 58.57 1b8k n GLU 59 Cb 0.02 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 1b8k n GLU 59 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b8k n GLY 66 N -1.93 0.00 3.92 0.62 0.00 -1.23 -5.20 105.19 101.37 1b8k n GLY 66 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1b8k n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8k s ARG 68 N -3.30 4.46 0.00 0.00 3.52 0.09 -3.16 118.95 120.57 1b8k s ARG 68 Ca 0.34 1.91 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1b8k s ARG 68 Cb -0.11 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1b8k s ARG 68 CO 0.28 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 1b8k n GLY 69 N 2.36 0.83 3.79 8.12 0.00 -1.26 -4.49 105.19 114.54 1b8k n GLY 69 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1b8k n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b8k s ILE 70 N -3.26 3.05 0.09 -0.61 -1.09 -1.19 -5.00 121.20 113.19 1b8k s ILE 70 Ca 0.00 0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.72 1b8k s ILE 70 Cb 0.00 -3.04 -0.25 0.00 -1.58 0.00 0.00 42.46 37.59 1b8k s ILE 70 CO 0.00 -0.45 1.19 -0.78 -1.23 0.00 0.00 174.94 173.68 1b8k h ASP 71 N -1.14 0.44 0.00 3.58 1.82 -1.91 -3.47 116.42 115.74 1b8k h ASP 71 Ca -0.47 -0.44 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 1b8k h ASP 71 Cb 1.27 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1b8k h ASP 71 CO 0.58 1.31 0.00 -0.90 -1.61 0.00 0.00 179.24 178.62 1b8k n ASP 72 N -3.59 0.00 -4.62 2.28 5.68 -1.16 -4.80 116.55 110.33 1b8k n ASP 72 Ca -0.08 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.79 1b8k n ASP 72 Cb 0.97 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.90 1b8k n ASP 72 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1b8k s LYS 73 N 0.00 4.03 -1.57 0.11 1.02 -1.26 -3.64 119.74 118.43 1b8k s LYS 73 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 55.97 56.70 1b8k s LYS 73 Cb 0.00 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1b8k s LYS 73 CO 0.00 -0.65 0.00 -2.39 -0.92 0.00 0.00 175.35 171.39 1b8k n HIS 74 N 6.20 -1.04 -3.66 3.18 1.44 -1.26 -4.95 115.22 115.13 1b8k n HIS 74 Ca 0.05 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.70 1b8k n HIS 74 Cb 0.48 -3.50 -0.07 0.00 0.12 0.00 0.00 29.99 27.01 1b8k n HIS 74 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1b8k s TRP 75 N -2.85 -1.00 0.04 -1.40 0.23 -1.24 -5.09 118.94 107.62 1b8k s TRP 75 Ca 0.00 1.83 0.06 0.00 -2.03 0.00 0.00 56.10 55.96 1b8k s TRP 75 Cb 0.00 0.49 -0.03 0.00 0.03 0.00 0.00 33.47 33.96 1b8k s TRP 75 CO 0.00 -0.55 -0.15 -0.80 0.96 0.00 0.00 176.95 176.41 1b8k s ASN 76 N 2.66 4.03 -0.01 2.95 0.01 -1.25 -2.98 114.94 120.35 1b8k s ASN 76 Ca -0.04 -0.36 -0.14 0.00 -0.71 0.00 0.00 52.86 51.62 1b8k s ASN 76 Cb -0.12 -0.73 0.02 0.00 0.41 0.00 0.00 41.25 40.83 1b8k s ASN 76 CO -0.15 0.26 0.28 -0.94 -1.51 0.00 0.00 177.10 175.04 1b8k s SER 77 N -1.48 -0.15 0.04 -1.22 1.04 -1.25 -3.93 113.70 106.74 1b8k s SER 77 Ca 0.16 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.56 1b8k s SER 77 Cb -0.11 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 1b8k s SER 77 CO 0.06 -0.44 0.10 -1.58 0.98 0.00 0.00 173.24 172.36 1b8k s GLN 78 N -1.39 0.61 -0.12 4.02 0.74 -0.75 -3.49 119.66 119.28 1b8k s GLN 78 Ca -0.13 -0.79 -0.11 0.00 0.05 0.00 0.00 55.36 54.38 1b8k s GLN 78 Cb -0.05 0.24 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1b8k s GLN 78 CO 0.04 -0.16 0.23 0.00 -0.55 0.00 0.00 175.29 174.85 1b8k s LYS 80 N -0.49 0.73 -0.18 0.00 1.02 0.62 -4.97 119.74 116.47 1b8k s LYS 80 Ca 0.16 -0.51 -0.22 0.00 0.02 0.00 0.00 55.97 55.42 1b8k s LYS 80 Cb -0.13 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.48 1b8k s LYS 80 CO 0.05 0.17 0.70 -0.08 -0.92 0.00 0.00 175.35 175.27 1b8k s THR 81 N -0.59 4.98 0.45 2.17 -1.32 -1.26 -0.14 115.64 119.93 1b8k s THR 81 Ca 0.01 1.35 0.02 0.00 -1.21 0.00 0.00 61.69 61.85 1b8k s THR 81 Cb -0.06 -4.01 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1b8k s THR 81 CO 0.00 0.09 0.66 -0.94 -2.21 0.00 0.00 174.62 172.22 1b8k s SER 82 N 1.15 5.74 0.37 8.08 1.04 0.02 -4.96 113.70 125.14 1b8k s SER 82 Ca 0.32 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1b8k s SER 82 Cb -0.16 -1.34 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1b8k s SER 82 CO 0.11 -0.75 0.11 -1.10 0.98 0.00 0.00 173.24 172.60 1b8k s GLN 83 N -4.53 1.79 0.30 4.02 -0.21 -1.26 -1.86 119.66 117.91 1b8k s GLN 83 Ca 0.50 -2.06 -0.16 0.00 0.02 0.00 0.00 55.36 53.67 1b8k s GLN 83 Cb -0.10 -0.63 0.02 0.00 1.00 0.00 0.00 33.01 33.30 1b8k s GLN 83 CO 0.37 -0.38 0.63 -0.08 -2.12 0.00 0.00 175.29 173.71 1b8k s THR 84 N -3.30 0.00 -0.10 -0.19 -1.32 -0.59 -4.84 115.64 105.29 1b8k s THR 84 Ca 0.29 -1.19 -0.05 0.00 -1.21 0.00 0.00 61.69 59.53 1b8k s THR 84 Cb 0.05 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1b8k s THR 84 CO 0.15 0.00 0.08 -0.31 -2.21 0.00 0.00 174.62 172.33 1b8k s TYR 85 N -3.56 3.41 0.01 9.09 2.02 -1.26 -1.80 117.35 125.26 1b8k s TYR 85 Ca 0.17 0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 57.23 1b8k s TYR 85 Cb -0.04 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1b8k s TYR 85 CO 0.10 0.62 0.03 0.14 -1.57 0.00 0.00 175.55 174.87 1b8k s VAL 86 N -0.98 0.09 0.32 0.71 -7.23 -0.61 -4.95 120.40 107.75 1b8k s VAL 86 Ca 0.15 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.30 1b8k s VAL 86 Cb -0.12 -0.29 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 1b8k s VAL 86 CO 0.04 -0.41 0.95 -0.13 -0.31 0.00 0.00 175.10 175.23 1b8k s ARG 87 N -1.28 4.58 -0.01 4.82 1.81 -1.26 -1.23 118.95 126.38 1b8k s ARG 87 Ca -0.14 1.35 -0.07 0.00 -1.72 0.00 0.00 55.73 55.15 1b8k s ARG 87 Cb -0.08 -2.81 0.00 0.00 -0.45 0.00 0.00 34.95 31.61 1b8k s ARG 87 CO -0.00 0.27 0.14 0.00 -0.68 0.00 0.00 175.30 175.03 1b8k s ALA 88 N -1.60 -0.34 -0.52 2.13 0.00 -0.26 -4.92 121.76 116.25 1b8k s ALA 88 Ca 0.50 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1b8k s ALA 88 Cb -0.19 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1b8k s ALA 88 CO 0.24 -0.19 1.00 -1.17 0.00 0.00 0.00 175.76 175.64 1b8k s LEU 89 N -1.15 3.92 0.41 0.00 2.96 -1.26 -1.66 118.68 121.90 1b8k s LEU 89 Ca -0.12 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1b8k s LEU 89 Cb -0.07 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.51 1b8k s LEU 89 CO 0.01 -1.22 0.06 0.42 -1.32 0.00 0.00 176.35 174.30 1b8k s THR 90 N 4.10 1.16 0.25 3.68 -4.23 -0.21 -1.41 115.64 118.99 1b8k s THR 90 Ca 0.36 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1b8k s THR 90 Cb -0.10 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1b8k s THR 90 CO 0.24 0.00 0.36 -0.94 -0.54 0.00 0.00 174.62 173.74 1b8k s SER 91 N -3.66 0.17 0.00 3.99 1.04 0.58 -1.54 113.70 114.28 1b8k s SER 91 Ca 0.25 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1b8k s SER 91 Cb 0.05 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1b8k s SER 91 CO 0.13 -1.06 0.00 -0.62 0.98 0.00 0.00 173.24 172.66 1b8k n GLU 92 N -0.38 0.00 -1.42 4.02 1.02 -1.25 -1.23 120.64 121.40 1b8k n GLU 92 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1b8k n GLU 92 Cb 0.63 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.97 1b8k n GLU 92 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1b8k n ASN 93 N 0.00 6.48 -0.88 1.62 6.94 -1.26 -4.55 115.26 123.60 1b8k n ASN 93 Ca 0.00 -2.98 0.01 0.00 -0.02 0.00 0.00 54.58 51.59 1b8k n ASN 93 Cb 0.00 -1.31 -0.00 0.00 -2.36 0.00 0.00 39.78 36.10 1b8k n ASN 93 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1b8k n ASN 94 N 1.54 -5.29 -0.44 0.53 5.03 -1.26 -4.93 115.26 110.44 1b8k n ASN 94 Ca 0.51 0.10 0.00 0.00 0.87 0.00 0.00 54.58 56.06 1b8k n ASN 94 Cb 0.59 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 1b8k n ASN 94 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1b8k n LYS 95 N -1.86 0.00 -4.02 3.52 5.02 -1.26 -4.78 118.16 114.78 1b8k n LYS 95 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1b8k n LYS 95 Cb 0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.97 1b8k n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1b8k n LEU 96 N 0.00 -0.78 -4.75 -0.35 4.32 -1.26 -3.89 117.00 110.29 1b8k n LEU 96 Ca 0.00 -1.06 -0.40 0.00 -0.02 0.00 0.00 56.01 54.52 1b8k n LEU 96 Cb 0.00 -1.33 -0.05 0.00 -1.62 0.00 0.00 43.42 40.43 1b8k n LEU 96 CO 0.00 0.34 0.73 -0.69 -1.22 0.00 0.00 177.39 176.54 1b8k s VAL 97 N -3.93 3.91 0.00 4.08 1.01 -1.26 -4.06 120.40 120.16 1b8k s VAL 97 Ca 0.13 1.81 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1b8k s VAL 97 Cb -0.07 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1b8k s VAL 97 CO 0.84 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.93 1b8k n GLY 98 N 1.64 -0.35 3.71 4.51 0.00 -0.59 -5.00 105.19 109.12 1b8k n GLY 98 Ca -0.00 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1b8k n GLY 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1b8k s TRP 99 N -2.00 3.61 0.06 1.61 0.52 -1.26 -1.05 118.94 120.43 1b8k s TRP 99 Ca 0.00 1.47 -0.01 0.00 0.02 0.00 0.00 56.10 57.57 1b8k s TRP 99 Cb 0.00 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.31 1b8k s TRP 99 CO 0.00 0.02 -0.02 1.03 0.02 0.00 0.00 176.95 178.00 1b8k s ARG 100 N 0.99 0.64 -0.35 4.98 0.52 -0.66 -4.92 118.95 120.14 1b8k s ARG 100 Ca 0.44 -1.23 -0.21 0.00 -0.52 0.00 0.00 55.73 54.22 1b8k s ARG 100 Cb -0.19 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.50 1b8k s ARG 100 CO 0.22 -0.13 0.65 -1.58 0.02 0.00 0.00 175.30 174.49 1b8k s TRP 101 N -3.93 3.16 0.25 -0.53 0.52 -1.26 -1.11 118.94 116.04 1b8k s TRP 101 Ca 0.08 0.42 0.10 0.00 0.02 0.00 0.00 56.10 56.72 1b8k s TRP 101 Cb 0.08 -3.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1b8k s TRP 101 CO -0.09 -0.61 -0.06 0.96 0.02 0.00 0.00 176.95 177.17 1b8k s ILE 102 N 2.74 3.21 -0.02 2.03 -4.36 -0.36 -0.55 121.20 123.89 1b8k s ILE 102 Ca 0.25 -1.95 -0.00 0.00 -0.26 0.00 0.00 60.65 58.69 1b8k s ILE 102 Cb -0.14 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 1b8k s ILE 102 CO 0.14 -0.32 0.05 0.00 0.24 0.00 0.00 174.94 175.06 1b8k s ARG 103 N -3.46 3.00 0.05 0.37 1.70 -1.09 -1.58 118.95 117.95 1b8k s ARG 103 Ca 0.30 -0.49 -0.03 0.00 -0.47 0.00 0.00 55.73 55.04 1b8k s ARG 103 Cb -0.07 -2.82 -0.03 0.00 -0.57 0.00 0.00 34.95 31.46 1b8k s ARG 103 CO 0.18 0.66 0.02 0.96 -1.08 0.00 0.00 175.30 176.03 1b8k s ILE 104 N -1.12 0.19 0.29 4.99 -4.36 -0.75 -4.73 121.20 115.71 1b8k s ILE 104 Ca 0.20 -1.53 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 1b8k s ILE 104 Cb -0.12 -1.28 -0.10 0.00 1.25 0.00 0.00 42.46 42.21 1b8k s ILE 104 CO 0.11 -0.85 1.31 -1.81 0.24 0.00 0.00 174.94 173.94 1b8k s ASP 105 N -2.65 6.81 0.00 4.36 1.01 -1.26 -1.55 116.67 123.39 1b8k s ASP 105 Ca 0.03 2.61 0.00 0.00 0.71 0.00 0.00 52.55 55.89 1b8k s ASP 105 Cb 0.04 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1b8k s ASP 105 CO -0.08 -0.53 0.00 1.07 0.21 0.00 0.00 175.17 175.83 1b8k n THR 106 N 1.38 0.00 -3.76 -1.27 5.66 -0.77 -2.55 114.28 112.97 1b8k n THR 106 Ca 0.02 -0.05 0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1b8k n THR 106 Cb 0.42 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 1b8k n THR 106 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1b8k s SER 107 N -0.19 -0.03 -0.14 1.09 0.15 -0.36 -4.49 113.70 109.72 1b8k s SER 107 Ca 0.00 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 1b8k s SER 107 Cb 0.00 0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1b8k s SER 107 CO 0.00 -0.33 -0.03 0.00 1.20 0.00 0.00 173.24 174.07 1b8k s VAL 109 N 1.75 2.05 0.13 0.00 -7.23 0.80 -4.80 120.40 113.10 1b8k s VAL 109 Ca 0.02 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 57.91 1b8k s VAL 109 Cb -0.14 -2.04 -0.07 0.00 0.56 0.00 0.00 36.38 34.69 1b8k s VAL 109 CO -0.07 -0.35 0.60 0.00 -0.31 0.00 0.00 175.10 174.96 1b8k s ALA 111 N -1.34 1.97 -2.96 0.00 0.00 -0.21 -4.93 121.76 114.30 1b8k s ALA 111 Ca 0.35 -0.87 0.24 0.00 0.00 0.00 0.00 51.96 51.68 1b8k s ALA 111 Cb -0.17 -0.82 0.19 0.00 0.00 0.00 0.00 23.12 22.32 1b8k s ALA 111 CO 0.20 0.13 1.25 1.28 0.00 0.00 0.00 175.76 178.62