#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r21 n TRP 2 N 0.00 0.02 -1.72 2.03 -0.00 -1.26 -4.99 117.44 111.52 1r21 n TRP 2 Ca 0.00 0.01 -0.40 0.00 -0.00 0.00 0.00 57.50 57.10 1r21 n TRP 2 Cb 0.00 -1.00 0.02 0.00 -0.00 0.00 0.00 31.31 30.33 1r21 n TRP 2 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1r21 n PRO 3 N -3.58 1.95 0.00 5.87 -0.02 -1.26 -5.03 135.00 132.93 1r21 n PRO 3 Ca -0.49 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1r21 n PRO 3 Cb 0.96 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1r21 n PRO 3 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1r21 n THR 4 N -0.38 0.00 -2.11 3.45 -2.24 -1.26 -4.78 114.28 106.96 1r21 n THR 4 Ca 0.07 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.44 1r21 n THR 4 Cb 0.41 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1r21 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1r21 s ARG 5 N 2.01 4.35 0.05 -0.78 0.52 -1.26 -4.59 118.95 119.24 1r21 s ARG 5 Ca 0.00 2.20 -0.21 0.00 -0.52 0.00 0.00 55.73 57.21 1r21 s ARG 5 Cb 0.00 -3.10 0.05 0.00 0.52 0.00 0.00 34.95 32.42 1r21 s ARG 5 CO 0.00 -0.24 0.48 -0.98 0.02 0.00 0.00 175.30 174.58 1r21 s ARG 6 N -1.20 1.00 -0.14 3.54 1.70 -1.05 -4.26 118.95 118.54 1r21 s ARG 6 Ca 0.52 -0.28 -0.03 0.00 -0.47 0.00 0.00 55.73 55.47 1r21 s ARG 6 Cb -0.40 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1r21 s ARG 6 CO 0.48 -0.36 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.79 1r21 s LEU 7 N -1.99 3.24 -0.12 -1.89 1.43 -0.23 -2.95 118.68 116.17 1r21 s LEU 7 Ca -0.05 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1r21 s LEU 7 Cb -0.01 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1r21 s LEU 7 CO -0.02 0.21 -0.14 -0.69 0.23 0.00 0.00 176.35 175.94 1r21 s VAL 8 N 0.13 2.96 -0.26 -1.59 1.01 -0.89 0.10 120.40 121.86 1r21 s VAL 8 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1r21 s VAL 8 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1r21 s VAL 8 CO 0.03 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 174.92 1r21 s THR 9 N 0.22 5.07 0.06 3.92 2.01 -1.13 0.43 115.64 126.21 1r21 s THR 9 Ca -0.09 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1r21 s THR 9 Cb -0.15 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1r21 s THR 9 CO 0.05 0.31 1.01 -0.63 -0.69 0.00 0.00 174.62 174.67 1r21 s ILE 10 N 1.47 4.56 0.00 1.82 1.01 -1.11 -3.84 121.20 125.12 1r21 s ILE 10 Ca 0.07 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1r21 s ILE 10 Cb -0.15 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1r21 s ILE 10 CO 0.07 0.22 0.57 0.29 0.00 0.00 0.00 174.94 176.09 1r21 n LYS 11 N 3.41 0.00 0.00 2.79 5.02 -1.26 -4.45 118.16 123.68 1r21 n LYS 11 Ca 0.05 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1r21 n LYS 11 Cb 0.49 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1r21 n LYS 11 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1r21 n ARG 12 N -1.06 0.00 0.00 1.97 1.85 -1.26 -4.90 116.66 113.26 1r21 n ARG 12 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 1r21 n ARG 12 Cb 0.00 0.00 0.66 0.00 -1.05 0.00 0.00 32.46 32.07 1r21 n ARG 12 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1r21 n SER 13 N -0.05 0.00 -0.06 2.89 7.64 -1.26 -4.87 113.62 117.91 1r21 n SER 13 Ca 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1r21 n SER 13 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1r21 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r21 n GLY 14 N 0.77 0.77 3.33 0.23 0.00 -1.26 -5.07 105.19 103.95 1r21 n GLY 14 Ca 0.14 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1r21 n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r21 s VAL 15 N -2.11 1.28 0.31 1.61 -7.23 -1.26 -5.09 120.40 107.91 1r21 s VAL 15 Ca 0.00 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 1r21 s VAL 15 Cb 0.00 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 1r21 s VAL 15 CO 0.00 -0.48 1.32 -1.81 -0.31 0.00 0.00 175.10 173.81 1r21 s ASP 16 N -3.29 6.79 0.00 4.85 1.01 -1.26 -3.98 116.67 120.79 1r21 s ASP 16 Ca 0.24 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.15 1r21 s ASP 16 Cb 0.03 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1r21 s ASP 16 CO 0.07 -0.54 0.00 0.61 0.21 0.00 0.00 175.17 175.51 1r21 n GLY 17 N 1.15 5.90 3.74 0.21 0.00 -1.25 -4.91 105.19 110.03 1r21 n GLY 17 Ca 0.01 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1r21 n GLY 17 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r21 s PRO 18 N 1.49 2.93 0.38 1.61 0.02 -1.26 -4.78 135.00 135.39 1r21 s PRO 18 Ca 0.00 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.28 1r21 s PRO 18 Cb 0.00 -2.11 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 1r21 s PRO 18 CO 0.00 -1.34 0.44 -1.01 -0.33 0.00 0.00 177.00 174.76 1r21 s HIS 19 N -1.33 2.87 -0.19 6.54 3.76 -1.26 -2.86 115.29 122.83 1r21 s HIS 19 Ca 0.76 -0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1r21 s HIS 19 Cb -0.40 -2.12 0.06 0.00 1.11 0.00 0.00 32.58 31.24 1r21 s HIS 19 CO 0.45 -0.12 0.07 0.12 -0.85 0.00 0.00 174.74 174.41 1r21 s PHE 20 N -2.33 0.58 0.55 1.40 5.36 0.28 -4.94 117.98 118.88 1r21 s PHE 20 Ca 0.48 -0.59 -0.18 0.00 -0.96 0.00 0.00 56.93 55.68 1r21 s PHE 20 Cb -0.07 -0.86 -0.06 0.00 -0.34 0.00 0.00 43.02 41.69 1r21 s PHE 20 CO 0.30 -0.57 1.06 -1.25 -1.46 0.00 0.00 175.22 173.30 1r21 s PRO 21 N 2.01 3.49 -1.18 10.12 0.04 -1.26 -1.07 135.00 147.15 1r21 s PRO 21 Ca 0.01 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 1r21 s PRO 21 Cb -0.16 -2.05 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1r21 s PRO 21 CO -0.10 -0.68 1.47 -0.51 0.04 0.00 0.00 177.00 177.22 1r21 s LEU 22 N -4.04 4.66 0.21 -3.56 1.43 -1.26 -4.80 118.68 111.33 1r21 s LEU 22 Ca 0.66 -2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 51.03 1r21 s LEU 22 Cb -0.17 -2.45 0.16 0.00 0.03 0.00 0.00 46.19 43.75 1r21 s LEU 22 CO 0.29 -0.94 1.80 0.28 0.23 0.00 0.00 176.35 178.01 1r21 h SER 23 N 7.63 1.05 -3.32 2.29 0.02 -1.94 -3.42 113.55 115.86 1r21 h SER 23 Ca 0.32 -0.15 -0.66 0.00 -0.84 0.00 0.00 61.79 60.46 1r21 h SER 23 Cb 0.90 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 63.04 1r21 h SER 23 CO 1.29 0.91 -0.64 -0.76 -1.14 0.00 0.00 176.83 176.49 1r21 s LEU 24 N -9.80 3.57 0.61 5.07 1.02 -1.26 -4.98 118.68 112.91 1r21 s LEU 24 Ca -0.13 -0.02 0.30 0.00 0.02 0.00 0.00 54.13 54.31 1r21 s LEU 24 Cb 0.15 -2.10 1.69 0.00 0.02 0.00 0.00 46.19 45.95 1r21 s LEU 24 CO 0.83 0.26 2.06 0.77 0.02 0.00 0.00 176.35 180.28 1r21 h SER 25 N 4.11 0.00 -3.32 2.29 4.64 -1.96 -3.38 113.55 115.92 1r21 h SER 25 Ca -0.49 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.19 1r21 h SER 25 Cb 1.17 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.02 1r21 h SER 25 CO 0.59 0.00 -0.72 0.42 -0.87 0.00 0.00 176.83 176.25 1r21 s THR 26 N -4.49 3.46 -0.31 2.95 -4.23 -1.26 -1.70 115.64 110.06 1r21 s THR 26 Ca -0.04 -0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 59.86 1r21 s THR 26 Cb 0.14 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1r21 s THR 26 CO 0.49 0.50 0.15 0.00 -0.54 0.00 0.00 174.62 175.22 1r21 s LEU 28 N 1.62 2.56 0.08 0.00 0.20 -1.26 0.25 118.68 122.14 1r21 s LEU 28 Ca 0.05 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.48 1r21 s LEU 28 Cb -0.17 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1r21 s LEU 28 CO 0.06 0.26 0.03 -0.36 -0.29 0.00 0.00 176.35 176.05 1r21 s PHE 29 N -0.90 3.07 0.00 5.38 0.40 0.11 0.82 117.98 126.86 1r21 s PHE 29 Ca 0.14 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 1r21 s PHE 29 Cb -0.10 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.85 1r21 s PHE 29 CO 0.05 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.87 1r21 n GLY 30 N 0.55 3.85 0.29 4.36 0.00 -1.12 -2.60 105.19 110.52 1r21 n GLY 30 Ca -0.10 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 1r21 n GLY 30 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r21 h ARG 31 N 0.00 0.86 -6.38 1.61 3.08 -1.63 -2.76 114.38 109.15 1r21 h ARG 31 Ca 0.00 -0.27 -0.60 0.00 0.07 0.00 0.00 59.98 59.19 1r21 h ARG 31 Cb 0.00 -0.08 0.15 0.00 0.08 0.00 0.00 29.97 30.12 1r21 h ARG 31 CO 0.00 0.89 -0.41 0.41 -1.07 0.00 0.00 179.97 179.79 1r21 n GLY 32 N -0.49 -1.52 0.22 0.04 0.00 -1.25 -4.77 105.19 97.42 1r21 n GLY 32 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1r21 n GLY 32 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1r21 h ILE 33 N 0.62 1.12 -0.03 -0.61 2.10 -1.92 -0.97 117.51 117.82 1r21 h ILE 33 Ca -0.42 -0.71 0.01 0.00 1.08 0.00 0.00 64.86 64.82 1r21 h ILE 33 Cb 1.40 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 38.51 1r21 h ILE 33 CO 0.50 0.20 0.10 -0.08 -1.08 0.00 0.00 178.15 177.79 1r21 h GLU 34 N 0.00 0.00 -6.25 2.19 4.81 -1.93 -3.41 114.58 110.00 1r21 h GLU 34 Ca -0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1r21 h GLU 34 Cb 0.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1r21 h GLU 34 CO 0.03 0.00 1.08 0.00 -0.73 0.00 0.00 179.01 179.38 1r21 h ASP 36 N 9.79 0.74 -3.29 0.00 3.32 -1.21 -3.14 116.42 122.62 1r21 h ASP 36 Ca -0.35 -0.13 -0.74 0.00 0.02 0.00 0.00 57.03 55.83 1r21 h ASP 36 Cb 1.16 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.19 1r21 h ASP 36 CO 0.97 0.73 0.16 -0.38 -1.72 0.00 0.00 179.24 179.00 1r21 n ILE 37 N -4.28 3.76 -1.94 0.35 2.08 0.24 -4.92 119.36 114.65 1r21 n ILE 37 Ca 0.04 -5.30 -0.42 0.00 0.56 0.00 0.00 62.75 57.62 1r21 n ILE 37 Cb 0.22 -2.40 -0.03 0.00 -0.75 0.00 0.00 39.64 36.68 1r21 n ILE 37 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1r21 s ARG 38 N -1.58 4.21 -0.14 0.38 3.52 -1.19 -2.80 118.95 121.35 1r21 s ARG 38 Ca 0.30 2.34 0.02 0.00 -0.13 0.00 0.00 55.73 58.26 1r21 s ARG 38 Cb -0.05 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1r21 s ARG 38 CO -0.08 -0.63 -0.21 0.42 -0.81 0.00 0.00 175.30 173.99 1r21 s ILE 39 N 1.51 2.00 -1.20 4.11 1.01 -1.04 -4.91 121.20 122.68 1r21 s ILE 39 Ca 0.71 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1r21 s ILE 39 Cb -0.43 -1.78 0.16 0.00 0.01 0.00 0.00 42.46 40.42 1r21 s ILE 39 CO 0.31 0.54 1.45 -1.10 0.00 0.00 0.00 174.94 176.14 1r21 s GLN 40 N 0.93 4.06 -0.26 2.79 -0.21 -1.26 -3.73 119.66 121.99 1r21 s GLN 40 Ca -0.04 -2.48 -0.04 0.00 0.02 0.00 0.00 55.36 52.81 1r21 s GLN 40 Cb -0.15 -5.11 0.14 0.00 1.00 0.00 0.00 33.01 28.89 1r21 s GLN 40 CO -0.04 -1.82 0.48 -1.17 -2.12 0.00 0.00 175.29 170.62 1r21 s LEU 41 N 1.91 -0.91 0.47 2.90 2.96 -1.26 -5.04 118.68 119.72 1r21 s LEU 41 Ca 0.43 0.73 0.22 0.00 -0.22 0.00 0.00 54.13 55.29 1r21 s LEU 41 Cb -0.02 1.60 1.23 0.00 0.50 0.00 0.00 46.19 49.50 1r21 s LEU 41 CO 0.00 -0.26 1.92 -0.65 -1.32 0.00 0.00 176.35 176.04 1r21 h PRO 42 N 8.11 0.22 -0.53 0.98 0.11 -2.02 -2.00 132.00 136.87 1r21 h PRO 42 Ca -0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1r21 h PRO 42 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1r21 h PRO 42 CO 0.22 0.15 0.23 -0.39 -0.21 0.00 0.00 178.00 177.99 1r21 h VAL 43 N 0.23 1.21 -4.00 3.15 -1.51 -1.98 -3.43 116.25 109.91 1r21 h VAL 43 Ca 0.37 -0.62 -0.48 0.00 -1.23 0.00 0.00 66.70 64.74 1r21 h VAL 43 Cb 1.11 0.64 0.16 0.00 -2.13 0.00 0.00 31.29 31.07 1r21 h VAL 43 CO -0.08 0.24 0.22 -0.69 -1.23 0.00 0.00 177.57 176.03 1r21 s VAL 44 N -5.63 2.51 0.22 7.19 1.01 -0.75 -5.03 120.40 119.92 1r21 s VAL 44 Ca -0.13 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1r21 s VAL 44 Cb 0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1r21 s VAL 44 CO 0.77 -0.22 0.29 -0.55 0.00 0.00 0.00 175.10 175.40 1r21 s SER 45 N -3.30 6.05 0.26 3.32 0.15 -1.26 -4.82 113.70 114.11 1r21 s SER 45 Ca 0.64 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.24 1r21 s SER 45 Cb -0.19 -1.72 0.33 0.00 -1.71 0.00 0.00 66.02 62.74 1r21 s SER 45 CO 0.58 -0.03 1.87 0.11 1.20 0.00 0.00 173.24 176.96 1r21 h LYS 46 N 1.49 1.06 -2.23 5.44 1.57 -1.90 -2.99 116.57 119.01 1r21 h LYS 46 Ca -0.50 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 57.55 1r21 h LYS 46 Cb 1.22 -0.20 -0.42 0.00 0.08 0.00 0.00 32.23 32.92 1r21 h LYS 46 CO 0.62 0.81 -0.66 1.04 -0.57 0.00 0.00 179.45 180.70 1r21 n GLN 47 N -4.33 2.81 0.04 3.15 1.13 -1.26 -3.91 117.38 115.01 1r21 n GLN 47 Ca 0.07 -4.69 -0.13 0.00 -1.94 0.00 0.00 57.00 50.32 1r21 n GLN 47 Cb 0.13 -2.20 -0.09 0.00 0.11 0.00 0.00 30.24 28.20 1r21 n GLN 47 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1r21 h HIS 48 N 3.46 -0.11 -1.89 1.08 2.76 -1.35 -3.40 115.15 115.70 1r21 h HIS 48 Ca 0.15 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.57 1r21 h HIS 48 Cb 0.59 0.04 -0.10 0.00 1.55 0.00 0.00 27.41 29.49 1r21 h HIS 48 CO 0.77 0.30 0.66 0.00 -1.30 0.00 0.00 177.93 178.36 1r21 s LYS 50 N -2.83 1.00 -0.27 0.00 -2.85 -1.20 -0.71 119.74 112.88 1r21 s LYS 50 Ca 0.13 -0.51 -0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1r21 s LYS 50 Cb 0.02 0.44 0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1r21 s LYS 50 CO -0.01 -0.37 -0.06 0.42 0.10 0.00 0.00 175.35 175.44 1r21 s ILE 51 N -3.09 2.65 0.34 3.79 1.01 0.70 0.11 121.20 126.72 1r21 s ILE 51 Ca -0.02 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 1r21 s ILE 51 Cb 0.00 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.90 1r21 s ILE 51 CO -0.07 0.00 0.73 -1.61 0.00 0.00 0.00 174.94 174.00 1r21 s GLU 52 N 1.22 3.94 -0.17 2.79 2.02 0.71 -0.13 118.70 129.08 1r21 s GLU 52 Ca -0.05 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 1r21 s GLU 52 Cb -0.19 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1r21 s GLU 52 CO -0.04 0.12 -0.01 -1.50 0.02 0.00 0.00 175.26 173.86 1r21 s ILE 53 N -2.06 4.10 0.49 -1.63 1.10 -0.69 0.98 121.20 123.48 1r21 s ILE 53 Ca 0.53 -0.28 0.07 0.00 -0.51 0.00 0.00 60.65 60.46 1r21 s ILE 53 Cb -0.10 -2.82 0.07 0.00 0.15 0.00 0.00 42.46 39.76 1r21 s ILE 53 CO 0.21 0.47 0.55 1.41 -2.11 0.00 0.00 174.94 175.47 1r21 n HIS 54 N 3.67 -1.70 -0.36 3.50 8.25 0.87 -4.95 115.22 124.50 1r21 n HIS 54 Ca -0.17 -1.89 0.04 0.00 -0.26 0.00 0.00 57.72 55.44 1r21 n HIS 54 Cb 0.52 -0.44 0.11 0.00 1.12 0.00 0.00 29.99 31.31 1r21 n HIS 54 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1r21 n GLU 55 N -1.88 -0.12 -1.90 -0.41 1.02 -1.26 -3.14 120.64 112.94 1r21 n GLU 55 Ca 0.08 1.51 0.00 0.00 -0.02 0.00 0.00 57.16 58.73 1r21 n GLU 55 Cb 0.52 -2.26 0.02 0.00 -0.02 0.00 0.00 31.44 29.71 1r21 n GLU 55 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1r21 n GLN 56 N -5.55 0.62 -3.60 3.49 7.27 -1.26 -5.12 117.38 113.24 1r21 n GLN 56 Ca 0.14 -2.11 -0.14 0.00 0.07 0.00 0.00 57.00 54.96 1r21 n GLN 56 Cb 0.46 -0.28 -0.06 0.00 2.41 0.00 0.00 30.24 32.78 1r21 n GLN 56 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1r21 s GLU 57 N -0.99 1.00 -0.11 3.69 2.12 -1.19 -5.10 118.70 118.12 1r21 s GLU 57 Ca 0.23 -0.26 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 1r21 s GLU 57 Cb 0.30 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 35.11 1r21 s GLU 57 CO -0.10 -0.35 0.01 0.00 -0.54 0.00 0.00 175.26 174.28 1r21 s ALA 58 N -2.41 3.31 -0.02 6.30 0.00 -1.26 0.30 121.76 127.98 1r21 s ALA 58 Ca -0.06 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1r21 s ALA 58 Cb -0.01 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 1r21 s ALA 58 CO -0.02 0.51 -0.14 0.42 0.00 0.00 0.00 175.76 176.54 1r21 s ILE 59 N -0.63 1.10 -0.11 0.00 -1.09 0.28 -3.00 121.20 117.75 1r21 s ILE 59 Ca 0.10 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 1r21 s ILE 59 Cb -0.12 -0.94 -0.04 0.00 -1.58 0.00 0.00 42.46 39.79 1r21 s ILE 59 CO 0.02 0.32 0.16 -0.22 -1.23 0.00 0.00 174.94 173.99 1r21 s LEU 60 N -0.15 4.40 -0.55 2.97 0.20 -1.12 0.25 118.68 124.68 1r21 s LEU 60 Ca 0.02 0.51 0.05 0.00 0.69 0.00 0.00 54.13 55.40 1r21 s LEU 60 Cb -0.07 -2.11 0.17 0.00 -0.43 0.00 0.00 46.19 43.75 1r21 s LEU 60 CO 0.00 0.40 0.42 1.41 -0.29 0.00 0.00 176.35 178.30 1r21 n HIS 61 N 1.97 1.02 -1.77 5.38 8.25 0.12 -2.75 115.22 127.44 1r21 n HIS 61 Ca -0.20 -3.77 -0.41 0.00 -0.26 0.00 0.00 57.72 53.08 1r21 n HIS 61 Cb 0.55 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.48 1r21 n HIS 61 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1r21 s ASN 62 N -0.70 6.36 -0.20 0.41 -0.87 -1.26 -3.21 114.94 115.47 1r21 s ASN 62 Ca 0.30 2.96 0.10 0.00 -1.57 0.00 0.00 52.86 54.64 1r21 s ASN 62 Cb 0.01 -2.63 -0.20 0.00 -0.02 0.00 0.00 41.25 38.41 1r21 s ASN 62 CO -0.18 -0.92 -0.05 0.49 -2.57 0.00 0.00 177.10 173.87 1r21 n PHE 63 N 2.23 0.00 -1.86 2.20 3.72 -0.48 -4.74 117.46 118.54 1r21 n PHE 63 Ca 0.08 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.13 1r21 n PHE 63 Cb 0.37 -0.91 0.05 0.00 -0.94 0.00 0.00 39.48 38.05 1r21 n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1r21 s SER 64 N -5.69 4.98 0.07 4.37 1.04 -0.53 -4.98 113.70 112.96 1r21 s SER 64 Ca -0.19 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.56 1r21 s SER 64 Cb 0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1r21 s SER 64 CO 0.67 -1.73 0.00 -1.20 0.98 0.00 0.00 173.24 171.96 1r21 n SER 65 N -1.94 0.46 -0.05 7.02 7.64 -1.26 -4.49 113.62 120.99 1r21 n SER 65 Ca 0.13 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 1r21 n SER 65 Cb 0.50 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1r21 n SER 65 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1r21 h THR 66 N 0.00 1.19 -3.03 0.44 2.02 -2.02 -3.32 112.91 108.20 1r21 h THR 66 Ca 0.00 -0.59 -0.66 0.00 0.77 0.00 0.00 66.41 65.93 1r21 h THR 66 Cb 0.42 1.27 -0.39 0.00 -1.74 0.00 0.00 68.15 67.71 1r21 h THR 66 CO 0.00 0.18 -0.31 -0.46 0.37 0.00 0.00 175.52 175.30 1r21 n ASN 67 N -4.82 3.81 -4.78 4.18 0.23 -1.26 -5.08 115.26 107.53 1r21 n ASN 67 Ca -0.05 -3.23 -0.36 0.00 -0.53 0.00 0.00 54.58 50.42 1r21 n ASN 67 Cb 0.15 -0.89 -0.03 0.00 -2.08 0.00 0.00 39.78 36.93 1r21 n ASN 67 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1r21 s PRO 68 N -1.67 3.93 0.96 -0.53 0.04 -1.25 -4.72 135.00 131.75 1r21 s PRO 68 Ca 0.29 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1r21 s PRO 68 Cb -0.02 -2.36 0.16 0.00 0.04 0.00 0.00 34.50 32.32 1r21 s PRO 68 CO -0.11 -0.35 1.09 0.99 0.04 0.00 0.00 177.00 178.65 1r21 s THR 69 N -1.72 2.42 0.11 1.26 2.01 -1.26 -4.73 115.64 113.72 1r21 s THR 69 Ca 0.62 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.82 1r21 s THR 69 Cb -0.22 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1r21 s THR 69 CO 0.27 -0.18 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.78 1r21 s GLN 70 N -4.82 0.99 -0.07 4.92 -0.21 0.26 -2.06 119.66 118.66 1r21 s GLN 70 Ca 0.65 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1r21 s GLN 70 Cb -0.20 -0.94 0.01 0.00 1.00 0.00 0.00 33.01 32.88 1r21 s GLN 70 CO 0.58 0.19 -0.15 0.08 -2.12 0.00 0.00 175.29 173.87 1r21 s VAL 71 N -1.83 1.38 -0.50 1.09 1.01 0.11 -0.67 120.40 120.99 1r21 s VAL 71 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1r21 s VAL 71 Cb -0.07 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1r21 s VAL 71 CO 0.03 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.13 1r21 n ASN 72 N 3.65 -2.36 0.00 3.32 3.02 -0.58 0.26 115.26 122.58 1r21 n ASN 72 Ca -0.21 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1r21 n ASN 72 Cb 0.52 -2.09 0.00 0.00 -0.61 0.00 0.00 39.78 37.61 1r21 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r21 n GLY 73 N -0.64 0.78 3.95 7.41 0.00 -1.26 -5.05 105.19 110.38 1r21 n GLY 73 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1r21 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r21 s SER 74 N -2.91 6.26 0.37 1.61 0.01 0.73 -5.08 113.70 114.69 1r21 s SER 74 Ca 0.00 0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 1r21 s SER 74 Cb 0.00 -1.84 -0.09 0.00 0.21 0.00 0.00 66.02 64.30 1r21 s SER 74 CO 0.00 -0.01 0.81 -0.69 0.41 0.00 0.00 173.24 173.76 1r21 s VAL 75 N -1.88 4.62 -0.61 3.43 1.01 -1.26 0.05 120.40 125.77 1r21 s VAL 75 Ca 0.34 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 1r21 s VAL 75 Cb -0.10 -3.63 0.16 0.00 0.00 0.00 0.00 36.38 32.81 1r21 s VAL 75 CO 0.28 -0.29 0.40 -0.63 0.00 0.00 0.00 175.10 174.86 1r21 s ILE 76 N -2.12 3.40 0.16 2.22 1.01 -0.87 -4.79 121.20 120.20 1r21 s ILE 76 Ca 0.56 -3.13 -0.12 0.00 0.00 0.00 0.00 60.65 57.96 1r21 s ILE 76 Cb -0.10 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.16 1r21 s ILE 76 CO 0.19 -0.87 1.63 0.44 0.00 0.00 0.00 174.94 176.34 1r21 h ASP 77 N 6.79 0.88 -5.71 3.58 3.32 -1.95 -3.41 116.42 119.93 1r21 h ASP 77 Ca -0.02 -0.28 -0.34 0.00 0.02 0.00 0.00 57.03 56.41 1r21 h ASP 77 Cb 0.93 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.11 1r21 h ASP 77 CO 0.71 0.95 -0.50 -1.61 -1.72 0.00 0.00 179.24 177.07 1r21 s GLU 78 N -5.12 1.53 0.33 3.56 2.02 -1.26 -5.01 118.70 114.76 1r21 s GLU 78 Ca -0.12 -1.80 -0.28 0.00 0.02 0.00 0.00 54.97 52.79 1r21 s GLU 78 Cb 0.12 0.32 -0.13 0.00 0.10 0.00 0.00 34.13 34.55 1r21 s GLU 78 CO 0.82 -0.56 1.22 -2.30 0.02 0.00 0.00 175.26 174.47 1r21 n PRO 79 N -0.46 1.93 -4.10 0.39 -0.02 -1.26 -4.79 135.00 126.69 1r21 n PRO 79 Ca 0.04 0.68 -0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1r21 n PRO 79 Cb 0.64 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 1r21 n PRO 79 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r21 s VAL 80 N -1.09 0.37 0.22 -1.45 -7.23 -1.11 -5.02 120.40 105.08 1r21 s VAL 80 Ca 0.56 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1r21 s VAL 80 Cb -0.60 -1.40 -0.08 0.00 0.56 0.00 0.00 36.38 34.86 1r21 s VAL 80 CO 0.62 -0.88 1.06 -0.60 -0.31 0.00 0.00 175.10 174.98 1r21 s ARG 81 N -3.54 4.67 -0.21 4.82 3.52 -1.26 -2.79 118.95 124.16 1r21 s ARG 81 Ca 0.05 1.68 -0.08 0.00 -0.13 0.00 0.00 55.73 57.26 1r21 s ARG 81 Cb 0.05 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 1r21 s ARG 81 CO -0.07 0.21 0.08 -0.51 -0.81 0.00 0.00 175.30 174.20 1r21 s LEU 82 N -0.84 3.80 0.36 -0.88 1.43 -1.16 -4.95 118.68 116.44 1r21 s LEU 82 Ca 0.46 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 1r21 s LEU 82 Cb -0.29 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1r21 s LEU 82 CO 0.36 0.11 0.73 -0.75 0.23 0.00 0.00 176.35 177.03 1r21 s LYS 83 N 0.75 3.84 0.22 1.70 2.20 -1.26 -4.56 119.74 122.63 1r21 s LYS 83 Ca 0.04 0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 55.84 1r21 s LYS 83 Cb -0.13 -2.44 -0.10 0.00 -1.51 0.00 0.00 37.83 33.65 1r21 s LYS 83 CO 0.02 0.07 1.49 -1.58 -0.36 0.00 0.00 175.35 174.99 1r21 s HIS 84 N -2.19 3.02 0.00 4.03 5.65 -1.26 -2.07 115.29 122.47 1r21 s HIS 84 Ca 0.51 0.87 0.00 0.00 0.25 0.00 0.00 55.06 56.70 1r21 s HIS 84 Cb -0.10 -3.87 0.00 0.00 -1.18 0.00 0.00 32.58 27.43 1r21 s HIS 84 CO 0.26 -2.97 0.00 0.41 -0.65 0.00 0.00 174.74 171.79 1r21 n GLY 85 N 2.76 0.75 3.76 1.59 0.00 -0.93 -5.03 105.19 108.09 1r21 n GLY 85 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1r21 n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r21 s ASP 86 N -2.51 5.12 -0.09 1.61 1.01 -0.88 -4.85 116.67 116.07 1r21 s ASP 86 Ca 0.00 2.10 0.03 0.00 0.71 0.00 0.00 52.55 55.40 1r21 s ASP 86 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1r21 s ASP 86 CO 0.00 -1.63 -0.20 -0.69 0.21 0.00 0.00 175.17 172.86 1r21 s VAL 87 N -2.14 2.47 -0.12 -1.27 1.01 -1.26 -1.72 120.40 117.37 1r21 s VAL 87 Ca 0.70 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1r21 s VAL 87 Cb -0.23 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1r21 s VAL 87 CO 0.39 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.35 1r21 s ILE 88 N 0.04 3.68 -0.05 2.22 -1.09 0.52 -1.52 121.20 124.99 1r21 s ILE 88 Ca -0.08 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1r21 s ILE 88 Cb -0.15 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1r21 s ILE 88 CO 0.05 0.54 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.29 1r21 s THR 89 N -0.04 1.02 0.00 2.92 2.01 0.16 0.15 115.64 121.86 1r21 s THR 89 Ca 0.00 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1r21 s THR 89 Cb -0.13 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.45 1r21 s THR 89 CO 0.03 0.32 0.00 -0.38 -0.69 0.00 0.00 174.62 173.90 1r21 n ILE 90 N 3.59 0.00 -0.11 1.82 5.41 0.67 0.91 119.36 131.65 1r21 n ILE 90 Ca -0.21 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.44 1r21 n ILE 90 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 1r21 n ILE 90 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1r21 h ILE 91 N 0.00 1.17 0.00 1.39 1.08 -1.92 -3.39 117.51 115.83 1r21 h ILE 91 Ca 0.00 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1r21 h ILE 91 Cb 0.00 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1r21 h ILE 91 CO 0.00 0.18 -0.14 0.47 -0.69 0.00 0.00 178.15 177.96 1r21 n ASP 92 N -4.73 0.00 -4.15 1.72 8.00 -1.26 -5.11 116.55 111.01 1r21 n ASP 92 Ca -0.01 -1.29 -0.17 0.00 0.71 0.00 0.00 54.79 54.03 1r21 n ASP 92 Cb 0.12 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.04 1r21 n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1r21 s ARG 93 N 0.00 0.76 0.04 -1.24 1.81 -1.26 -5.10 118.95 113.97 1r21 s ARG 93 Ca 0.00 -0.92 0.06 0.00 -1.72 0.00 0.00 55.73 53.14 1r21 s ARG 93 Cb 0.00 -0.70 -0.02 0.00 -0.45 0.00 0.00 34.95 33.78 1r21 s ARG 93 CO 0.00 0.15 -0.17 -1.12 -0.68 0.00 0.00 175.30 173.48 1r21 s SER 94 N -1.74 1.97 0.05 0.23 0.01 -1.26 -0.24 113.70 112.72 1r21 s SER 94 Ca -0.03 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.76 1r21 s SER 94 Cb -0.10 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1r21 s SER 94 CO 0.02 0.07 -0.10 -0.36 0.41 0.00 0.00 173.24 173.28 1r21 s PHE 95 N -0.86 0.88 -0.01 2.43 0.40 0.41 -2.74 117.98 118.48 1r21 s PHE 95 Ca 0.04 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1r21 s PHE 95 Cb -0.08 -0.51 -0.03 0.00 0.51 0.00 0.00 43.02 42.90 1r21 s PHE 95 CO 0.02 -0.03 -0.13 1.03 0.70 0.00 0.00 175.22 176.81 1r21 s ARG 96 N -1.52 2.40 -0.30 0.44 0.52 0.17 0.19 118.95 120.86 1r21 s ARG 96 Ca -0.06 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 1r21 s ARG 96 Cb -0.09 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.06 1r21 s ARG 96 CO 0.01 0.59 -0.00 -0.47 0.02 0.00 0.00 175.30 175.45 1r21 s TYR 97 N -0.88 3.30 -0.07 -0.53 5.04 -0.70 -2.09 117.35 121.42 1r21 s TYR 97 Ca 0.14 -1.99 0.04 0.00 -2.44 0.00 0.00 57.07 52.83 1r21 s TYR 97 Cb -0.11 -2.17 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 1r21 s TYR 97 CO 0.04 -0.83 -0.21 -1.21 -1.34 0.00 0.00 175.55 172.01 1r21 s GLU 98 N 1.22 2.45 0.02 4.97 8.01 -1.15 -2.20 118.70 132.01 1r21 s GLU 98 Ca -0.05 -0.74 0.06 0.00 0.01 0.00 0.00 54.97 54.26 1r21 s GLU 98 Cb -0.20 -1.95 -0.02 0.00 -4.31 0.00 0.00 34.13 27.65 1r21 s GLU 98 CO -0.02 0.20 -0.18 0.54 0.01 0.00 0.00 175.26 175.81 1r21 s ASN 99 N 0.25 2.19 0.00 -0.19 2.20 -1.26 -2.53 114.94 115.60 1r21 s ASN 99 Ca -0.12 -0.44 0.01 0.00 -0.94 0.00 0.00 52.86 51.36 1r21 s ASN 99 Cb -0.16 -0.20 0.01 0.00 -2.00 0.00 0.00 41.25 38.90 1r21 s ASN 99 CO 0.06 0.16 0.52 1.21 -2.94 0.00 0.00 177.10 176.11