#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 -2.62 -2.23 2.03 2.14 -1.26 -5.15 117.44 110.35 1r21 n TRP 2 Ca 0.00 -2.22 -0.37 0.00 2.07 0.00 0.00 57.50 56.99 1r21 n TRP 2 Cb 0.00 1.21 -0.00 0.00 -0.81 0.00 0.00 31.31 31.71 1r21 n TRP 2 CO 0.00 0.00 0.00 -1.25 2.07 0.00 0.00 177.69 178.51 1r21 s PRO 3 N 0.14 3.64 -0.01 -2.67 0.04 -1.26 -4.95 135.00 129.93 1r21 s PRO 3 Ca 0.30 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.17 1r21 s PRO 3 Cb 0.25 -2.31 0.18 0.00 0.04 0.00 0.00 34.50 32.65 1r21 s PRO 3 CO -0.17 -0.65 1.15 0.25 0.04 0.00 0.00 177.00 177.62 1r21 n THR 4 N -0.69 1.08 -5.21 1.26 -2.24 -1.26 -4.96 114.28 102.27 1r21 n THR 4 Ca 0.08 -1.08 -0.32 0.00 -2.27 0.00 0.00 64.05 60.47 1r21 n THR 4 Cb 0.48 0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.14 2.84 0.04 -0.78 0.52 -1.26 -2.81 118.95 116.36 1r21 s ARG 5 Ca 0.14 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 1r21 s ARG 5 Cb 0.08 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 1r21 s ARG 5 CO 0.08 0.23 0.06 1.03 0.02 0.00 0.00 175.30 176.73 1r21 s ARG 6 N 0.21 0.55 -0.11 3.54 0.52 -1.01 -4.03 118.95 118.61 1r21 s ARG 6 Ca -0.14 -0.78 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 1r21 s ARG 6 Cb -0.17 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 1r21 s ARG 6 CO 0.07 -0.13 -0.09 -0.51 0.02 0.00 0.00 175.30 174.66 1r21 s LEU 7 N -2.11 2.99 -0.06 2.53 1.43 -0.14 -2.76 118.68 120.56 1r21 s LEU 7 Ca -0.05 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1r21 s LEU 7 Cb -0.01 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1r21 s LEU 7 CO -0.05 0.24 -0.25 -0.69 0.23 0.00 0.00 176.35 175.84 1r21 s VAL 8 N -0.10 2.11 -0.31 -1.59 1.01 -0.95 0.15 120.40 120.71 1r21 s VAL 8 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1r21 s VAL 8 Cb -0.13 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1r21 s VAL 8 CO 0.03 0.57 0.19 -0.89 0.00 0.00 0.00 175.10 175.00 1r21 s THR 9 N -0.19 5.04 0.00 3.92 2.01 -1.17 0.69 115.64 125.95 1r21 s THR 9 Ca -0.03 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1r21 s THR 9 Cb -0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1r21 s THR 9 CO 0.03 0.10 1.02 -0.63 -0.69 0.00 0.00 174.62 174.45 1r21 s ILE 10 N 1.70 4.72 0.20 1.82 1.01 -1.07 -2.96 121.20 126.60 1r21 s ILE 10 Ca 0.06 1.95 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 1r21 s ILE 10 Cb -0.17 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.09 1r21 s ILE 10 CO 0.09 0.14 0.27 0.29 0.00 0.00 0.00 174.94 175.72 1r21 n LYS 11 N 4.01 0.11 -0.20 2.79 4.76 -1.25 -4.18 118.16 124.20 1r21 n LYS 11 Ca 0.07 -0.56 -0.07 0.00 -2.87 0.00 0.00 58.31 54.88 1r21 n LYS 11 Cb 0.50 -0.23 0.03 0.00 -1.84 0.00 0.00 35.03 33.49 1r21 n LYS 11 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1r21 h ARG 12 N 0.00 0.81 -7.20 1.97 2.43 -1.96 -3.43 114.38 107.01 1r21 h ARG 12 Ca -0.09 -0.11 -0.49 0.00 -0.81 0.00 0.00 59.98 58.49 1r21 h ARG 12 Cb 0.28 -0.15 0.05 0.00 -0.42 0.00 0.00 29.97 29.72 1r21 h ARG 12 CO 0.08 0.64 0.38 -1.12 -1.51 0.00 0.00 179.97 178.44 1r21 s SER 13 N -5.93 6.09 0.00 -3.80 0.01 -1.26 -4.87 113.70 103.94 1r21 s SER 13 Ca -0.13 1.73 0.04 0.00 1.31 0.00 0.00 55.95 58.89 1r21 s SER 13 Cb 0.13 -2.52 0.22 0.00 0.21 0.00 0.00 66.02 64.05 1r21 s SER 13 CO 0.77 -0.96 0.63 0.61 0.41 0.00 0.00 173.24 174.70 1r21 n GLY 14 N -1.20 -0.14 3.74 3.44 0.00 -1.26 -4.62 105.19 105.14 1r21 n GLY 14 Ca 0.08 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1r21 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r21 s VAL 15 N -2.00 4.73 0.34 1.61 1.01 -1.26 -5.02 120.40 119.80 1r21 s VAL 15 Ca 0.05 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.48 1r21 s VAL 15 Cb 0.02 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1r21 s VAL 15 CO 0.04 0.33 1.27 -1.81 0.00 0.00 0.00 175.10 174.93 1r21 s ASP 16 N 0.12 6.77 0.00 3.32 1.01 -1.26 -3.92 116.67 122.70 1r21 s ASP 16 Ca 0.41 2.60 0.00 0.00 0.71 0.00 0.00 52.55 56.27 1r21 s ASP 16 Cb -0.21 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.08 1r21 s ASP 16 CO 0.24 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.70 1r21 n GLY 17 N 0.82 2.72 3.74 0.21 0.00 -1.16 -4.94 105.19 106.59 1r21 n GLY 17 Ca 0.01 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 1.60 2.84 0.26 1.61 0.02 -1.26 -4.68 135.00 135.38 1r21 s PRO 18 Ca 0.00 2.15 0.05 0.00 0.02 0.00 0.00 61.00 63.23 1r21 s PRO 18 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 1r21 s PRO 18 CO 0.00 -1.40 0.37 -1.01 -0.33 0.00 0.00 177.00 174.63 1r21 s HIS 19 N -1.35 3.37 -0.21 6.54 3.76 -1.26 -3.04 115.29 123.10 1r21 s HIS 19 Ca 0.77 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 55.60 1r21 s HIS 19 Cb -0.39 -1.64 0.06 0.00 1.11 0.00 0.00 32.58 31.72 1r21 s HIS 19 CO 0.44 0.36 0.00 0.12 -0.85 0.00 0.00 174.74 174.81 1r21 s PHE 20 N -2.03 1.59 0.51 1.40 5.36 0.39 -4.99 117.98 120.22 1r21 s PHE 20 Ca 0.36 -1.24 -0.19 0.00 -0.96 0.00 0.00 56.93 54.90 1r21 s PHE 20 Cb -0.09 -1.26 -0.07 0.00 -0.34 0.00 0.00 43.02 41.25 1r21 s PHE 20 CO 0.29 -0.68 1.04 -1.25 -1.46 0.00 0.00 175.22 173.16 1r21 s PRO 21 N 1.67 3.71 -1.10 10.12 0.04 -1.26 -0.97 135.00 147.21 1r21 s PRO 21 Ca -0.03 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.10 1r21 s PRO 21 Cb -0.18 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1r21 s PRO 21 CO -0.08 -0.50 1.74 -0.51 0.04 0.00 0.00 177.00 177.69 1r21 s LEU 22 N -3.72 3.42 0.20 -3.56 1.43 -1.26 -4.77 118.68 110.42 1r21 s LEU 22 Ca 0.66 -1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1r21 s LEU 22 Cb -0.16 -2.57 0.13 0.00 0.03 0.00 0.00 46.19 43.61 1r21 s LEU 22 CO 0.24 -2.03 1.81 0.28 0.23 0.00 0.00 176.35 176.88 1r21 h SER 23 N 9.57 0.89 -3.31 2.29 0.02 -1.96 -3.43 113.55 117.61 1r21 h SER 23 Ca 0.24 -0.10 -0.62 0.00 -0.84 0.00 0.00 61.79 60.47 1r21 h SER 23 Cb 0.96 -0.23 -0.19 0.00 0.14 0.00 0.00 62.40 63.09 1r21 h SER 23 CO 1.34 0.74 -0.81 -0.76 -1.14 0.00 0.00 176.83 176.20 1r21 s LEU 24 N -9.92 2.43 0.51 5.07 1.43 -1.26 -5.02 118.68 111.91 1r21 s LEU 24 Ca -0.13 -0.86 0.16 0.00 -1.03 0.00 0.00 54.13 52.27 1r21 s LEU 24 Cb 0.14 -1.08 1.25 0.00 0.03 0.00 0.00 46.19 46.54 1r21 s LEU 24 CO 0.79 0.08 2.14 0.77 0.23 0.00 0.00 176.35 180.37 1r21 h SER 25 N 3.24 0.03 -3.63 2.29 4.64 -1.95 -3.38 113.55 114.79 1r21 h SER 25 Ca -0.45 -0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.21 1r21 h SER 25 Cb 1.21 -0.01 -0.23 0.00 -0.31 0.00 0.00 62.40 63.06 1r21 h SER 25 CO 0.48 0.02 -0.62 0.42 -0.87 0.00 0.00 176.83 176.26 1r21 s THR 26 N -5.09 4.25 -0.28 2.95 -4.23 -1.26 -2.53 115.64 109.44 1r21 s THR 26 Ca -0.05 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 1r21 s THR 26 Cb 0.17 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1r21 s THR 26 CO 0.68 0.29 0.22 0.00 -0.54 0.00 0.00 174.62 175.27 1r21 s LEU 28 N 1.81 2.97 0.03 0.00 2.96 -1.26 0.26 118.68 125.45 1r21 s LEU 28 Ca 0.08 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1r21 s LEU 28 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1r21 s LEU 28 CO 0.11 0.33 0.07 -0.36 -1.32 0.00 0.00 176.35 175.17 1r21 s PHE 29 N -0.61 3.21 0.00 5.38 0.40 0.17 0.86 117.98 127.39 1r21 s PHE 29 Ca 0.09 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1r21 s PHE 29 Cb -0.11 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.74 1r21 s PHE 29 CO 0.02 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.87 1r21 n GLY 30 N 0.90 3.95 0.31 4.36 0.00 -1.10 -2.80 105.19 110.82 1r21 n GLY 30 Ca -0.11 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 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 0.81 -6.28 1.61 3.08 -1.61 -2.76 114.38 109.24 1r21 h ARG 31 Ca 0.00 -0.13 -0.62 0.00 0.07 0.00 0.00 59.98 59.30 1r21 h ARG 31 Cb 0.00 -0.14 0.14 0.00 0.08 0.00 0.00 29.97 30.04 1r21 h ARG 31 CO 0.00 0.68 -0.37 0.41 -1.07 0.00 0.00 179.97 179.63 1r21 n GLY 32 N -1.02 -1.40 0.29 0.04 0.00 -1.26 -4.75 105.19 97.07 1r21 n GLY 32 Ca 0.05 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 1.00 1.25 -0.09 -0.61 2.10 -1.95 -1.93 117.51 117.28 1r21 h ILE 33 Ca -0.38 -1.11 0.03 0.00 1.08 0.00 0.00 64.86 64.47 1r21 h ILE 33 Cb 1.40 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1r21 h ILE 33 CO 0.53 0.39 0.27 1.05 -1.08 0.00 0.00 178.15 179.31 1r21 h GLU 34 N 0.78 0.00 -6.31 2.19 4.11 -1.93 -3.41 114.58 110.02 1r21 h GLU 34 Ca 0.14 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 59.03 1r21 h GLU 34 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1r21 h GLU 34 CO 0.03 0.00 1.10 0.00 0.07 0.00 0.00 179.01 180.21 1r21 h ASP 36 N 9.57 0.77 -3.12 0.00 3.32 -0.86 -3.10 116.42 123.00 1r21 h ASP 36 Ca -0.42 -0.07 -0.74 0.00 0.02 0.00 0.00 57.03 55.82 1r21 h ASP 36 Cb 1.19 -0.20 -0.33 0.00 0.22 0.00 0.00 39.33 40.22 1r21 h ASP 36 CO 0.95 0.65 0.20 -0.38 -1.72 0.00 0.00 179.24 178.94 1r21 n ILE 37 N -4.36 3.91 -1.96 0.35 2.08 0.25 -4.92 119.36 114.71 1r21 n ILE 37 Ca 0.06 -5.41 -0.42 0.00 0.56 0.00 0.00 62.75 57.54 1r21 n ILE 37 Cb 0.12 -2.31 -0.03 0.00 -0.75 0.00 0.00 39.64 36.67 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 -1.88 4.20 -0.17 0.38 3.52 -1.17 -2.72 118.95 121.11 1r21 s ARG 38 Ca 0.31 2.29 -0.01 0.00 -0.13 0.00 0.00 55.73 58.18 1r21 s ARG 38 Cb -0.02 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 1r21 s ARG 38 CO -0.04 -0.73 -0.11 0.42 -0.81 0.00 0.00 175.30 174.03 1r21 s ILE 39 N 2.71 2.98 -1.16 4.11 1.01 -1.04 -4.91 121.20 124.90 1r21 s ILE 39 Ca 0.73 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 60.59 1r21 s ILE 39 Cb -0.39 -2.30 0.18 0.00 0.01 0.00 0.00 42.46 39.97 1r21 s ILE 39 CO 0.32 0.49 1.35 -1.10 0.00 0.00 0.00 174.94 176.00 1r21 s GLN 40 N 0.97 4.05 -0.25 2.79 -0.21 -1.26 -3.57 119.66 122.18 1r21 s GLN 40 Ca -0.02 -2.59 -0.07 0.00 0.02 0.00 0.00 55.36 52.70 1r21 s GLN 40 Cb -0.15 -4.97 0.12 0.00 1.00 0.00 0.00 33.01 29.01 1r21 s GLN 40 CO -0.01 -1.69 0.52 -1.17 -2.12 0.00 0.00 175.29 170.82 1r21 s LEU 41 N 1.28 -0.91 0.38 2.90 2.96 -1.26 -5.05 118.68 118.98 1r21 s LEU 41 Ca 0.40 1.13 0.15 0.00 -0.22 0.00 0.00 54.13 55.59 1r21 s LEU 41 Cb -0.04 1.78 1.02 0.00 0.50 0.00 0.00 46.19 49.44 1r21 s LEU 41 CO -0.02 -0.24 1.79 -0.65 -1.32 0.00 0.00 176.35 175.91 1r21 h PRO 42 N 8.09 0.47 -0.50 0.98 0.11 -2.02 -1.19 132.00 137.94 1r21 h PRO 42 Ca -0.18 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.85 1r21 h PRO 42 Cb 1.11 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1r21 h PRO 42 CO 0.14 0.31 0.09 -0.39 -0.21 0.00 0.00 178.00 177.94 1r21 h VAL 43 N 0.48 1.23 -3.89 3.15 -1.51 -1.99 -3.43 116.25 110.30 1r21 h VAL 43 Ca 0.57 -0.85 -0.51 0.00 -1.23 0.00 0.00 66.70 64.67 1r21 h VAL 43 Cb 1.30 0.75 0.05 0.00 -2.13 0.00 0.00 31.29 31.25 1r21 h VAL 43 CO -0.30 0.31 0.55 -0.69 -1.23 0.00 0.00 177.57 176.21 1r21 s VAL 44 N -5.14 3.05 0.58 7.19 1.01 -0.45 -4.99 120.40 121.65 1r21 s VAL 44 Ca -0.09 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 1r21 s VAL 44 Cb 0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1r21 s VAL 44 CO 0.80 0.19 0.93 -0.55 0.00 0.00 0.00 175.10 176.47 1r21 s SER 45 N -0.82 5.98 0.21 3.32 0.15 -1.26 -4.67 113.70 116.61 1r21 s SER 45 Ca 0.51 1.06 -0.08 0.00 0.70 0.00 0.00 55.95 58.13 1r21 s SER 45 Cb -0.35 -2.15 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1r21 s SER 45 CO 0.45 -0.88 1.74 0.11 1.20 0.00 0.00 173.24 175.86 1r21 h LYS 46 N -0.16 1.17 -1.86 5.44 1.57 -1.92 -3.02 116.57 117.79 1r21 h LYS 46 Ca -0.45 -0.25 -0.60 0.00 -1.87 0.00 0.00 60.65 57.47 1r21 h LYS 46 Cb 1.22 -0.17 -0.41 0.00 0.08 0.00 0.00 32.23 32.95 1r21 h LYS 46 CO 0.62 0.99 -0.60 1.04 -0.57 0.00 0.00 179.45 180.93 1r21 n GLN 47 N -4.25 3.38 -0.06 3.15 1.13 -1.26 -3.99 117.38 115.48 1r21 n GLN 47 Ca 0.06 -4.63 -0.09 0.00 -1.94 0.00 0.00 57.00 50.40 1r21 n GLN 47 Cb 0.23 -2.25 -0.02 0.00 0.11 0.00 0.00 30.24 28.31 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 2.79 0.22 -1.92 1.08 2.76 -1.39 -3.38 115.15 115.32 1r21 h HIS 48 Ca 0.24 0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.62 1r21 h HIS 48 Cb 0.71 -0.06 -0.14 0.00 1.55 0.00 0.00 27.41 29.46 1r21 h HIS 48 CO 0.85 0.12 0.64 0.00 -1.30 0.00 0.00 177.93 178.24 1r21 s LYS 50 N -2.83 0.39 -0.35 0.00 -2.85 -1.20 0.42 119.74 113.31 1r21 s LYS 50 Ca 0.09 -0.08 -0.10 0.00 -1.00 0.00 0.00 55.97 54.88 1r21 s LYS 50 Cb -0.00 0.17 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 1r21 s LYS 50 CO -0.05 -0.08 0.18 0.42 0.10 0.00 0.00 175.35 175.92 1r21 s ILE 51 N -0.72 4.52 0.22 3.79 1.01 0.73 0.15 121.20 130.89 1r21 s ILE 51 Ca -0.08 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 1r21 s ILE 51 Cb -0.05 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 1r21 s ILE 51 CO 0.01 -0.14 0.59 -0.70 0.00 0.00 0.00 174.94 174.70 1r21 s GLU 52 N 1.56 3.92 -0.07 2.79 2.12 1.22 0.14 118.70 130.38 1r21 s GLU 52 Ca 0.03 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1r21 s GLU 52 Cb -0.19 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1r21 s GLU 52 CO 0.06 0.35 -0.11 -1.50 -0.54 0.00 0.00 175.26 173.53 1r21 s ILE 53 N -1.71 3.38 0.47 -3.70 1.10 -1.05 0.20 121.20 119.89 1r21 s ILE 53 Ca 0.45 -0.60 0.02 0.00 -0.51 0.00 0.00 60.65 60.01 1r21 s ILE 53 Cb -0.13 -2.36 0.02 0.00 0.15 0.00 0.00 42.46 40.14 1r21 s ILE 53 CO 0.20 0.59 0.15 1.41 -2.11 0.00 0.00 174.94 175.17 1r21 n HIS 54 N 2.42 0.37 -0.33 3.50 8.25 0.64 -4.95 115.22 125.12 1r21 n HIS 54 Ca -0.18 -2.20 0.02 0.00 -0.26 0.00 0.00 57.72 55.11 1r21 n HIS 54 Cb 0.53 -0.34 0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.35 -0.14 -1.41 -0.41 1.02 -1.26 -3.05 120.64 114.04 1r21 n GLU 55 Ca -0.12 1.36 0.01 0.00 -0.02 0.00 0.00 57.16 58.38 1r21 n GLU 55 Cb 0.57 -2.03 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1r21 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r21 n GLN 56 N -5.37 0.06 -3.92 3.49 10.64 -1.26 -5.11 117.38 115.92 1r21 n GLN 56 Ca 0.12 -1.75 -0.09 0.00 -1.83 0.00 0.00 57.00 53.45 1r21 n GLN 56 Cb 0.40 0.10 -0.09 0.00 -0.86 0.00 0.00 30.24 29.79 1r21 n GLN 56 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1r21 s GLU 57 N -0.10 0.61 -0.12 2.61 0.41 -1.17 -5.13 118.70 115.81 1r21 s GLU 57 Ca 0.24 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.04 1r21 s GLU 57 Cb 0.28 0.24 -0.02 0.00 -1.78 0.00 0.00 34.13 32.85 1r21 s GLU 57 CO -0.12 -0.16 -0.13 0.00 -0.49 0.00 0.00 175.26 174.36 1r21 s ALA 58 N -2.69 2.63 0.04 5.21 0.00 -1.26 0.23 121.76 125.92 1r21 s ALA 58 Ca -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.09 1r21 s ALA 58 Cb -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1r21 s ALA 58 CO -0.05 0.28 -0.21 0.42 0.00 0.00 0.00 175.76 176.21 1r21 s ILE 59 N 0.24 1.66 -0.01 0.00 1.09 0.54 -3.20 121.20 121.52 1r21 s ILE 59 Ca -0.09 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.30 1r21 s ILE 59 Cb -0.15 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.77 1r21 s ILE 59 CO 0.05 0.24 0.05 -0.22 -0.10 0.00 0.00 174.94 174.96 1r21 s LEU 60 N -1.10 3.74 -0.51 2.97 2.96 -0.35 0.38 118.68 126.77 1r21 s LEU 60 Ca 0.07 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1r21 s LEU 60 Cb -0.09 -2.15 0.18 0.00 0.50 0.00 0.00 46.19 44.63 1r21 s LEU 60 CO 0.01 0.28 0.42 1.41 -1.32 0.00 0.00 176.35 177.16 1r21 n HIS 61 N 1.31 0.54 -2.00 5.38 8.25 0.12 -1.92 115.22 126.90 1r21 n HIS 61 Ca -0.14 -3.66 -0.41 0.00 -0.26 0.00 0.00 57.72 53.25 1r21 n HIS 61 Cb 0.53 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.53 1r21 n HIS 61 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1r21 s ASN 62 N -0.63 6.63 -0.08 0.41 3.84 -1.26 -3.25 114.94 120.59 1r21 s ASN 62 Ca 0.31 2.72 0.05 0.00 0.21 0.00 0.00 52.86 56.15 1r21 s ASN 62 Cb 0.04 -2.63 -0.09 0.00 -0.55 0.00 0.00 41.25 38.02 1r21 s ASN 62 CO -0.17 -0.69 -0.01 0.49 -2.79 0.00 0.00 177.10 173.92 1r21 n PHE 63 N 1.82 0.00 -1.73 0.43 3.72 -1.01 -4.66 117.46 116.03 1r21 n PHE 63 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1r21 n PHE 63 Cb 0.40 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1r21 n PHE 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1r21 n SER 64 N -2.46 3.47 -0.07 4.37 2.88 -1.08 -4.93 113.62 115.79 1r21 n SER 64 Ca -0.14 1.16 -0.15 0.00 -1.33 0.00 0.00 58.87 58.41 1r21 n SER 64 Cb 0.73 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 1r21 n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1r21 n SER 65 N 1.80 1.40 0.03 -3.46 3.41 -1.26 -3.81 113.62 111.73 1r21 n SER 65 Ca 0.08 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1r21 n SER 65 Cb 0.36 -0.40 0.31 0.00 -0.26 0.00 0.00 64.21 64.21 1r21 n SER 65 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1r21 h THR 66 N -0.44 1.20 -2.40 6.66 1.35 -2.04 -3.33 112.91 113.91 1r21 h THR 66 Ca -0.37 -0.84 -0.59 0.00 -0.55 0.00 0.00 66.41 64.06 1r21 h THR 66 Cb 1.36 1.06 -0.38 0.00 -1.73 0.00 0.00 68.15 68.46 1r21 h THR 66 CO -0.20 0.28 -0.95 -0.46 -0.25 0.00 0.00 175.52 173.94 1r21 n ASN 67 N -4.26 -0.25 -4.78 5.36 6.94 -1.26 -5.13 115.26 111.88 1r21 n ASN 67 Ca 0.01 -2.43 -0.35 0.00 -0.02 0.00 0.00 54.58 51.78 1r21 n ASN 67 Cb 0.27 -0.57 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 1r21 n ASN 67 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1r21 s PRO 68 N -0.06 3.65 0.73 -0.53 0.04 -1.25 -4.71 135.00 132.86 1r21 s PRO 68 Ca 0.33 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1r21 s PRO 68 Cb 0.04 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1r21 s PRO 68 CO -0.20 -0.59 1.18 0.99 0.04 0.00 0.00 177.00 178.43 1r21 s THR 69 N -1.81 2.49 0.12 1.26 2.01 -1.26 -4.78 115.64 113.67 1r21 s THR 69 Ca 0.68 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.99 1r21 s THR 69 Cb -0.21 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1r21 s THR 69 CO 0.25 -0.14 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.75 1r21 s GLN 70 N -3.99 1.15 -0.01 4.92 -0.21 0.38 -1.99 119.66 119.90 1r21 s GLN 70 Ca 0.72 -1.23 0.01 0.00 0.02 0.00 0.00 55.36 54.89 1r21 s GLN 70 Cb -0.27 -1.32 0.01 0.00 1.00 0.00 0.00 33.01 32.42 1r21 s GLN 70 CO 0.45 0.29 -0.04 0.54 -2.12 0.00 0.00 175.29 174.42 1r21 s VAL 71 N -1.48 0.37 -1.04 1.09 0.11 -0.81 0.22 120.40 118.87 1r21 s VAL 71 Ca 0.09 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1r21 s VAL 71 Cb -0.08 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1r21 s VAL 71 CO 0.05 0.13 0.00 0.59 -3.33 0.00 0.00 175.10 172.54 1r21 n ASN 72 N 3.34 -3.29 0.00 3.54 3.02 0.14 0.15 115.26 122.17 1r21 n ASN 72 Ca -0.17 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1r21 n ASN 72 Cb 0.56 -2.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 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 -0.06 0.81 3.95 7.41 0.00 -1.26 -5.05 105.19 110.99 1r21 n GLY 73 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1r21 n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r21 s SER 74 N -2.59 3.67 -0.09 1.61 1.04 0.41 -5.07 113.70 112.68 1r21 s SER 74 Ca 0.00 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 1r21 s SER 74 Cb 0.00 -0.26 -0.03 0.00 0.10 0.00 0.00 66.02 65.83 1r21 s SER 74 CO 0.00 -2.35 -0.02 -0.69 0.98 0.00 0.00 173.24 171.16 1r21 s VAL 75 N -3.58 4.11 -0.90 5.02 1.01 -1.26 -1.92 120.40 122.87 1r21 s VAL 75 Ca 0.70 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1r21 s VAL 75 Cb -0.05 -2.73 0.23 0.00 0.00 0.00 0.00 36.38 33.83 1r21 s VAL 75 CO 0.49 0.59 0.83 -0.63 0.00 0.00 0.00 175.10 176.38 1r21 s ILE 76 N -0.68 5.07 0.23 2.22 1.01 -0.84 -4.87 121.20 123.33 1r21 s ILE 76 Ca 0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 60.65 57.46 1r21 s ILE 76 Cb -0.12 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.29 1r21 s ILE 76 CO 0.02 -1.07 1.67 0.44 0.00 0.00 0.00 174.94 176.00 1r21 h ASP 77 N 6.79 0.79 -3.95 3.58 3.32 -1.95 -3.40 116.42 121.60 1r21 h ASP 77 Ca 0.13 -0.25 -0.47 0.00 0.02 0.00 0.00 57.03 56.46 1r21 h ASP 77 Cb 0.91 -0.22 -0.14 0.00 0.22 0.00 0.00 39.33 40.11 1r21 h ASP 77 CO 0.86 0.94 -0.56 -1.61 -1.72 0.00 0.00 179.24 177.15 1r21 s GLU 78 N -4.75 1.70 0.34 3.56 8.01 -1.26 -4.96 118.70 121.34 1r21 s GLU 78 Ca -0.09 -1.99 -0.29 0.00 0.01 0.00 0.00 54.97 52.61 1r21 s GLU 78 Cb 0.14 -0.41 -0.12 0.00 -4.31 0.00 0.00 34.13 29.43 1r21 s GLU 78 CO 0.83 -0.41 1.45 -2.30 0.01 0.00 0.00 175.26 174.85 1r21 n PRO 79 N -0.70 2.49 -4.09 0.39 -0.02 -1.26 -4.68 135.00 127.12 1r21 n PRO 79 Ca -0.02 0.88 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 1r21 n PRO 79 Cb 0.65 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.79 0.18 -0.14 -1.45 -7.23 -0.81 -4.97 120.40 105.19 1r21 s VAL 80 Ca 0.57 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 1r21 s VAL 80 Cb -0.52 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1r21 s VAL 80 CO 0.59 -0.81 0.19 -0.60 -0.31 0.00 0.00 175.10 174.15 1r21 s ARG 81 N -3.95 3.85 -0.05 4.82 3.52 -1.26 -1.22 118.95 124.66 1r21 s ARG 81 Ca 0.12 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1r21 s ARG 81 Cb 0.08 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 1r21 s ARG 81 CO -0.06 0.54 -0.08 -0.48 -0.81 0.00 0.00 175.30 174.40 1r21 s LEU 82 N -0.37 3.11 0.45 -0.88 2.34 -1.19 -5.01 118.68 117.13 1r21 s LEU 82 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 54.13 54.20 1r21 s LEU 82 Cb -0.12 -1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 43.77 1r21 s LEU 82 CO 0.03 0.34 0.75 -0.54 -1.06 0.00 0.00 176.35 175.88 1r21 s LYS 83 N -0.94 3.57 0.37 1.48 -0.14 -1.26 -4.59 119.74 118.23 1r21 s LYS 83 Ca 0.13 0.18 -0.27 0.00 -1.36 0.00 0.00 55.97 54.66 1r21 s LYS 83 Cb -0.11 -2.41 -0.11 0.00 -1.68 0.00 0.00 37.83 33.51 1r21 s LYS 83 CO 0.03 -0.14 1.23 1.58 -0.76 0.00 0.00 175.35 177.29 1r21 n HIS 84 N -2.04 2.03 -0.65 3.18 -0.00 -1.26 -1.77 115.22 114.70 1r21 n HIS 84 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 1r21 n HIS 84 Cb 0.55 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 1r21 n HIS 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1r21 n GLY 85 N 0.86 0.77 3.82 1.57 0.00 -0.86 -5.02 105.19 106.33 1r21 n GLY 85 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.62 6.28 -0.09 1.61 1.01 -0.73 -4.88 116.67 117.25 1r21 s ASP 86 Ca 0.00 1.75 0.05 0.00 0.71 0.00 0.00 52.55 55.06 1r21 s ASP 86 Cb 0.00 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1r21 s ASP 86 CO 0.00 -0.82 -0.24 0.54 0.21 0.00 0.00 175.17 174.85 1r21 s VAL 87 N -2.37 2.06 -0.13 -1.27 0.11 -1.26 -1.69 120.40 115.85 1r21 s VAL 87 Ca 0.63 -1.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1r21 s VAL 87 Cb -0.14 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1r21 s VAL 87 CO 0.29 0.56 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.97 1r21 s ILE 88 N 0.21 4.05 -0.08 7.04 1.01 0.61 -0.68 121.20 133.37 1r21 s ILE 88 Ca -0.15 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1r21 s ILE 88 Cb -0.17 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1r21 s ILE 88 CO 0.08 0.53 -0.15 -0.89 0.00 0.00 0.00 174.94 174.51 1r21 s THR 89 N -0.11 1.39 0.00 2.92 2.01 0.60 0.15 115.64 122.60 1r21 s THR 89 Ca 0.03 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1r21 s THR 89 Cb -0.13 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1r21 s THR 89 CO 0.02 0.41 0.00 -0.38 -0.69 0.00 0.00 174.62 173.99 1r21 n ILE 90 N 3.77 0.00 -0.14 1.82 5.41 0.18 0.14 119.36 130.54 1r21 n ILE 90 Ca -0.22 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.45 1r21 n ILE 90 Cb 0.52 -0.39 -0.00 0.00 -0.71 0.00 0.00 39.64 39.05 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 1.19 0.00 1.39 2.04 -1.89 -3.38 117.51 116.86 1r21 h ILE 91 Ca 0.00 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1r21 h ILE 91 Cb 0.00 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1r21 h ILE 91 CO 0.00 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.83 1r21 n ASP 92 N -4.64 0.00 -4.37 1.72 8.00 -1.26 -5.10 116.55 110.89 1r21 n ASP 92 Ca 0.00 -1.00 -0.23 0.00 0.71 0.00 0.00 54.79 54.28 1r21 n ASP 92 Cb 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.13 1r21 n ASP 92 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1r21 s ARG 93 N 0.00 1.40 0.04 -1.24 6.06 -1.26 -5.03 118.95 118.92 1r21 s ARG 93 Ca 0.00 -1.52 0.02 0.00 -2.50 0.00 0.00 55.73 51.73 1r21 s ARG 93 Cb 0.00 -1.47 -0.02 0.00 0.06 0.00 0.00 34.95 33.52 1r21 s ARG 93 CO 0.00 0.29 -0.07 -1.54 -2.50 0.00 0.00 175.30 171.48 1r21 s SER 94 N -2.91 0.74 0.02 -2.12 1.04 -1.26 0.48 113.70 109.69 1r21 s SER 94 Ca 0.20 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1r21 s SER 94 Cb -0.05 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 1r21 s SER 94 CO 0.09 -0.25 -0.04 -0.36 0.98 0.00 0.00 173.24 173.66 1r21 s PHE 95 N -1.62 0.32 0.01 5.02 0.40 0.39 -2.60 117.98 119.90 1r21 s PHE 95 Ca -0.09 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.79 1r21 s PHE 95 Cb -0.08 -0.22 -0.03 0.00 0.51 0.00 0.00 43.02 43.20 1r21 s PHE 95 CO -0.01 -0.17 -0.21 1.03 0.70 0.00 0.00 175.22 176.56 1r21 s ARG 96 N -1.46 2.10 -0.38 0.44 0.52 0.22 0.23 118.95 120.62 1r21 s ARG 96 Ca -0.15 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 54.08 1r21 s ARG 96 Cb -0.10 -2.14 0.08 0.00 0.52 0.00 0.00 34.95 33.31 1r21 s ARG 96 CO -0.01 0.55 0.16 -0.47 0.02 0.00 0.00 175.30 175.55 1r21 s TYR 97 N -0.79 3.44 -0.16 -0.53 5.04 -0.68 -2.23 117.35 121.43 1r21 s TYR 97 Ca 0.12 -2.06 -0.02 0.00 -2.44 0.00 0.00 57.07 52.68 1r21 s TYR 97 Cb -0.10 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1r21 s TYR 97 CO 0.02 -0.89 -0.09 -2.00 -1.34 0.00 0.00 175.55 171.24 1r21 s GLU 98 N 1.24 3.40 -0.55 4.97 2.12 -1.11 -2.02 118.70 126.75 1r21 s GLU 98 Ca 0.03 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.75 1r21 s GLU 98 Cb -0.22 -2.78 0.15 0.00 0.26 0.00 0.00 34.13 31.54 1r21 s GLU 98 CO -0.02 0.07 0.34 1.21 -0.54 0.00 0.00 175.26 176.32 1r21 s ASN 99 N 0.74 4.07 0.00 -1.70 3.84 -1.26 -2.42 114.94 118.21 1r21 s ASN 99 Ca -0.04 -3.20 0.03 0.00 0.21 0.00 0.00 52.86 49.86 1r21 s ASN 99 Cb -0.15 -1.38 0.02 0.00 -0.55 0.00 0.00 41.25 39.19 1r21 s ASN 99 CO 0.02 -0.19 0.59 -0.62 -2.79 0.00 0.00 177.10 174.11