#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 0.00 -1.82 2.03 -0.00 -1.26 -5.16 117.44 111.24 1r21 n TRP 2 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1r21 n TRP 2 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.34 1r21 n TRP 2 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1r21 s PRO 3 N 0.00 3.43 0.17 5.87 0.02 -1.26 -5.03 135.00 138.21 1r21 s PRO 3 Ca 0.00 2.30 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1r21 s PRO 3 Cb 0.00 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1r21 s PRO 3 CO 0.00 -0.98 0.31 -0.08 -0.33 0.00 0.00 177.00 175.92 1r21 s THR 4 N -1.26 0.06 0.35 0.99 -1.32 -1.26 -5.00 115.64 108.20 1r21 s THR 4 Ca 0.66 -1.36 -0.27 0.00 -1.21 0.00 0.00 61.69 59.51 1r21 s THR 4 Cb -0.41 -1.87 -0.09 0.00 -1.51 0.00 0.00 72.50 68.62 1r21 s THR 4 CO 0.51 -0.25 1.14 -0.13 -2.21 0.00 0.00 174.62 173.68 1r21 s ARG 5 N -3.97 4.29 0.01 7.08 0.52 -1.26 -4.07 118.95 121.55 1r21 s ARG 5 Ca 0.18 1.82 -0.05 0.00 -0.52 0.00 0.00 55.73 57.15 1r21 s ARG 5 Cb 0.03 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 1r21 s ARG 5 CO 0.01 -0.11 0.09 -0.98 0.02 0.00 0.00 175.30 174.33 1r21 s ARG 6 N -2.00 0.47 -0.12 3.54 1.70 -0.72 -4.02 118.95 117.79 1r21 s ARG 6 Ca 0.52 -0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 55.25 1r21 s ARG 6 Cb -0.31 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.24 1r21 s ARG 6 CO 0.39 -0.11 -0.08 -0.51 -1.08 0.00 0.00 175.30 173.91 1r21 s LEU 7 N -1.57 3.02 -0.07 -1.89 1.43 -1.03 -2.57 118.68 116.01 1r21 s LEU 7 Ca -0.13 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1r21 s LEU 7 Cb -0.07 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 1r21 s LEU 7 CO -0.00 0.22 -0.24 -0.69 0.23 0.00 0.00 176.35 175.87 1r21 s VAL 8 N 0.03 1.98 -0.27 -1.59 1.01 -0.87 0.83 120.40 121.52 1r21 s VAL 8 Ca -0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1r21 s VAL 8 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1r21 s VAL 8 CO 0.03 0.55 0.08 -0.89 0.00 0.00 0.00 175.10 174.87 1r21 s THR 9 N 0.09 4.30 -0.40 3.92 2.01 -1.09 0.83 115.64 125.31 1r21 s THR 9 Ca -0.10 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.36 1r21 s THR 9 Cb -0.15 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.30 1r21 s THR 9 CO 0.06 0.26 0.90 -0.63 -0.69 0.00 0.00 174.62 174.52 1r21 s ILE 10 N 1.60 4.58 0.15 1.82 1.01 -0.94 -3.80 121.20 125.62 1r21 s ILE 10 Ca 0.06 0.99 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 1r21 s ILE 10 Cb -0.16 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 37.99 1r21 s ILE 10 CO 0.04 -0.61 1.62 0.11 0.00 0.00 0.00 174.94 176.10 1r21 h LYS 11 N 8.66 0.83 -3.75 2.79 1.57 -1.88 -3.35 116.57 121.45 1r21 h LYS 11 Ca -0.24 -0.24 -0.27 0.00 -1.87 0.00 0.00 60.65 58.03 1r21 h LYS 11 Cb 1.08 -0.09 -0.30 0.00 0.08 0.00 0.00 32.23 33.00 1r21 h LYS 11 CO 0.98 0.84 -0.73 0.50 -0.57 0.00 0.00 179.45 180.47 1r21 s ARG 12 N -5.13 0.08 0.23 3.15 3.52 -1.26 -4.94 118.95 114.60 1r21 s ARG 12 Ca -0.13 0.03 -0.32 0.00 -0.13 0.00 0.00 55.73 55.19 1r21 s ARG 12 Cb 0.11 -0.18 -0.13 0.00 -1.56 0.00 0.00 34.95 33.20 1r21 s ARG 12 CO 0.81 -0.05 1.56 0.45 -0.81 0.00 0.00 175.30 177.26 1r21 n SER 13 N 3.48 3.39 0.00 -2.12 2.88 -1.26 -1.78 113.62 118.20 1r21 n SER 13 Ca -0.18 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1r21 n SER 13 Cb 0.56 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1r21 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r21 n GLY 14 N 2.79 3.20 3.06 0.46 0.00 -1.26 -5.04 105.19 108.40 1r21 n GLY 14 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.82 1.33 0.53 1.61 -7.23 -0.73 -5.12 120.40 107.97 1r21 s VAL 15 Ca 0.00 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.37 1r21 s VAL 15 Cb 0.00 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1r21 s VAL 15 CO 0.00 0.40 1.23 1.51 -0.31 0.00 0.00 175.10 177.93 1r21 s ASP 16 N 0.60 5.56 0.00 4.85 -4.77 -1.26 -4.31 116.67 117.34 1r21 s ASP 16 Ca -0.15 2.46 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 1r21 s ASP 16 Cb -0.16 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1r21 s ASP 16 CO 0.05 -1.35 0.00 0.61 0.70 0.00 0.00 175.17 175.18 1r21 n GLY 17 N 0.54 6.63 3.79 2.12 0.00 -1.25 -4.84 105.19 112.18 1r21 n GLY 17 Ca 0.11 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 1r21 n GLY 17 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r21 s PRO 18 N 0.25 3.60 0.43 1.61 0.04 -1.25 -4.83 135.00 134.86 1r21 s PRO 18 Ca 0.00 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1r21 s PRO 18 Cb 0.00 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1r21 s PRO 18 CO 0.00 -0.61 0.61 -1.01 0.04 0.00 0.00 177.00 176.03 1r21 s HIS 19 N -1.98 2.99 -0.37 0.56 3.76 -1.26 -2.67 115.29 116.31 1r21 s HIS 19 Ca 0.68 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1r21 s HIS 19 Cb -0.18 -2.35 0.14 0.00 1.11 0.00 0.00 32.58 31.29 1r21 s HIS 19 CO 0.24 -0.41 0.22 0.12 -0.85 0.00 0.00 174.74 174.07 1r21 s PHE 20 N -2.44 0.97 0.51 1.40 5.36 0.24 -4.93 117.98 119.09 1r21 s PHE 20 Ca 0.51 -1.80 -0.23 0.00 -0.96 0.00 0.00 56.93 54.45 1r21 s PHE 20 Cb -0.10 -1.10 -0.07 0.00 -0.34 0.00 0.00 43.02 41.42 1r21 s PHE 20 CO 0.35 -0.82 1.28 -2.30 -1.46 0.00 0.00 175.22 172.27 1r21 n PRO 21 N 3.89 1.70 -3.02 10.12 -0.02 -1.26 -2.45 135.00 143.96 1r21 n PRO 21 Ca 0.12 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.82 1r21 n PRO 21 Cb 0.37 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 1r21 n PRO 21 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r21 s LEU 22 N -2.64 4.49 0.00 2.45 1.43 -1.26 -4.91 118.68 118.24 1r21 s LEU 22 Ca 0.68 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1r21 s LEU 22 Cb -0.45 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1r21 s LEU 22 CO 0.52 0.09 0.00 -0.24 0.23 0.00 0.00 176.35 176.95 1r21 n SER 23 N 2.42 4.08 -4.69 2.29 2.88 -1.26 -5.04 113.62 114.29 1r21 n SER 23 Ca -0.04 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.16 1r21 n SER 23 Cb 0.50 0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 1r21 n SER 23 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1r21 s LEU 24 N -4.86 3.59 0.60 2.46 1.43 -1.26 -4.99 118.68 115.64 1r21 s LEU 24 Ca 0.00 0.07 0.35 0.00 -1.03 0.00 0.00 54.13 53.52 1r21 s LEU 24 Cb 0.00 -1.98 1.94 0.00 0.03 0.00 0.00 46.19 46.19 1r21 s LEU 24 CO 0.00 0.32 2.24 0.77 0.23 0.00 0.00 176.35 179.91 1r21 h SER 25 N 4.61 0.00 -3.30 2.29 4.64 -1.96 -3.39 113.55 116.44 1r21 h SER 25 Ca -0.50 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.16 1r21 h SER 25 Cb 1.18 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.98 1r21 h SER 25 CO 0.57 0.03 -0.78 0.42 -0.87 0.00 0.00 176.83 176.20 1r21 s THR 26 N -4.29 2.91 -0.09 2.95 -4.23 -1.26 -2.16 115.64 109.47 1r21 s THR 26 Ca -0.04 -0.68 -0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1r21 s THR 26 Cb 0.13 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1r21 s THR 26 CO 0.50 0.50 -0.06 0.00 -0.54 0.00 0.00 174.62 175.02 1r21 s LEU 28 N -0.57 2.08 -0.13 0.00 2.96 -1.26 -1.04 118.68 120.71 1r21 s LEU 28 Ca 0.09 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1r21 s LEU 28 Cb -0.12 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1r21 s LEU 28 CO 0.02 0.29 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.90 1r21 s PHE 29 N -0.64 2.92 0.00 5.38 0.40 0.30 0.41 117.98 126.75 1r21 s PHE 29 Ca 0.10 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 1r21 s PHE 29 Cb -0.10 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1r21 s PHE 29 CO -0.00 -0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.26 1r21 n GLY 30 N 3.38 1.15 0.25 4.36 0.00 -0.97 -1.57 105.19 111.78 1r21 n GLY 30 Ca -0.18 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 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 0.50 -6.58 1.61 3.08 -1.61 -0.30 114.38 111.08 1r21 h ARG 31 Ca 0.00 -0.15 -0.59 0.00 0.07 0.00 0.00 59.98 59.31 1r21 h ARG 31 Cb 0.00 -0.05 0.12 0.00 0.08 0.00 0.00 29.97 30.13 1r21 h ARG 31 CO 0.00 0.64 0.15 0.41 -1.07 0.00 0.00 179.97 180.10 1r21 n GLY 32 N -0.57 -0.23 0.26 0.04 0.00 -1.26 -4.62 105.19 98.82 1r21 n GLY 32 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.74 1.28 0.00 -0.61 2.10 -1.98 -2.57 117.51 117.47 1r21 h ILE 33 Ca -0.43 -1.49 0.00 0.00 1.08 0.00 0.00 64.86 64.02 1r21 h ILE 33 Cb 1.34 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1r21 h ILE 33 CO 0.58 0.50 0.16 -1.84 -1.08 0.00 0.00 178.15 176.47 1r21 n GLU 34 N -4.07 0.11 -2.40 2.19 0.28 -1.26 -4.58 120.64 110.91 1r21 n GLU 34 Ca -0.01 0.59 -0.41 0.00 -0.16 0.00 0.00 57.16 57.17 1r21 n GLU 34 Cb 0.50 -2.02 -0.04 0.00 1.43 0.00 0.00 31.44 31.32 1r21 n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r21 h ASP 36 N 4.95 0.94 -4.07 0.00 3.32 -1.73 -3.32 116.42 116.51 1r21 h ASP 36 Ca -0.45 -0.17 -0.70 0.00 0.02 0.00 0.00 57.03 55.73 1r21 h ASP 36 Cb 1.21 -0.25 -0.35 0.00 0.22 0.00 0.00 39.33 40.17 1r21 h ASP 36 CO 0.73 0.89 -0.35 -0.63 -1.72 0.00 0.00 179.24 178.16 1r21 s ILE 37 N -5.32 3.80 0.21 0.35 -1.09 0.17 -4.91 121.20 114.40 1r21 s ILE 37 Ca -0.11 -2.86 -0.30 0.00 -2.23 0.00 0.00 60.65 55.15 1r21 s ILE 37 Cb 0.15 -3.48 -0.08 0.00 -1.58 0.00 0.00 42.46 37.47 1r21 s ILE 37 CO 0.82 -0.87 1.12 -0.13 -1.23 0.00 0.00 174.94 174.66 1r21 s ARG 38 N 0.04 4.58 -0.14 2.79 0.52 -1.25 -2.29 118.95 123.20 1r21 s ARG 38 Ca 0.16 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 1r21 s ARG 38 Cb -0.20 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.05 1r21 s ARG 38 CO -0.04 0.07 -0.13 0.42 0.02 0.00 0.00 175.30 175.65 1r21 s ILE 39 N -0.44 1.45 -1.18 1.52 1.01 -0.12 -4.88 121.20 118.55 1r21 s ILE 39 Ca 0.49 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1r21 s ILE 39 Cb -0.31 -1.38 0.21 0.00 0.01 0.00 0.00 42.46 41.00 1r21 s ILE 39 CO 0.37 0.44 1.34 0.00 0.00 0.00 0.00 174.94 177.09 1r21 n GLN 40 N 4.80 3.45 -3.50 2.79 6.02 -1.26 -3.58 117.38 126.10 1r21 n GLN 40 Ca -0.16 -4.06 -0.03 0.00 -0.01 0.00 0.00 57.00 52.74 1r21 n GLN 40 Cb 0.50 -2.86 -0.05 0.00 1.02 0.00 0.00 30.24 28.84 1r21 n GLN 40 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1r21 s LEU 41 N 0.49 -1.00 0.44 1.08 1.43 -1.26 -5.04 118.68 114.82 1r21 s LEU 41 Ca 0.39 1.08 0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1r21 s LEU 41 Cb -0.05 1.86 1.17 0.00 0.03 0.00 0.00 46.19 49.20 1r21 s LEU 41 CO -0.02 -0.24 1.84 -0.65 0.23 0.00 0.00 176.35 177.50 1r21 h PRO 42 N 8.07 0.31 0.00 1.29 0.11 -2.03 0.07 132.00 139.82 1r21 h PRO 42 Ca -0.19 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 1r21 h PRO 42 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1r21 h PRO 42 CO 0.16 0.21 -0.22 -0.39 -0.21 0.00 0.00 178.00 177.55 1r21 h VAL 43 N 0.32 1.05 -4.46 3.15 -1.51 -1.99 -3.43 116.25 109.39 1r21 h VAL 43 Ca 0.50 -0.78 -0.48 0.00 -1.23 0.00 0.00 66.70 64.71 1r21 h VAL 43 Cb 1.39 1.43 0.10 0.00 -2.13 0.00 0.00 31.29 32.08 1r21 h VAL 43 CO -0.17 0.21 0.38 -0.69 -1.23 0.00 0.00 177.57 176.08 1r21 s VAL 44 N -4.43 2.76 0.13 7.19 1.01 0.01 -4.98 120.40 122.10 1r21 s VAL 44 Ca -0.03 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.26 1r21 s VAL 44 Cb 0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1r21 s VAL 44 CO 0.68 -0.32 -0.04 -0.55 0.00 0.00 0.00 175.10 174.87 1r21 s SER 45 N -4.30 4.64 0.22 3.32 0.15 -1.26 -4.81 113.70 111.66 1r21 s SER 45 Ca 0.61 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 1r21 s SER 45 Cb -0.12 -0.96 0.21 0.00 -1.71 0.00 0.00 66.02 63.44 1r21 s SER 45 CO 0.52 0.14 1.87 0.11 1.20 0.00 0.00 173.24 177.07 1r21 h LYS 46 N 3.17 0.97 -2.28 5.44 1.57 -1.91 -2.41 116.57 121.13 1r21 h LYS 46 Ca -0.48 -0.06 -0.68 0.00 -1.87 0.00 0.00 60.65 57.56 1r21 h LYS 46 Cb 1.18 -0.22 -0.36 0.00 0.08 0.00 0.00 32.23 32.92 1r21 h LYS 46 CO 0.56 0.64 0.07 1.04 -0.57 0.00 0.00 179.45 181.20 1r21 n GLN 47 N -4.58 4.18 0.04 3.15 1.13 -1.26 -3.83 117.38 116.21 1r21 n GLN 47 Ca 0.09 -4.78 -0.02 0.00 -1.94 0.00 0.00 57.00 50.34 1r21 n GLN 47 Cb 0.07 -2.34 -0.01 0.00 0.11 0.00 0.00 30.24 28.07 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 3.52 -0.12 -4.19 1.08 2.76 -0.76 -3.39 115.15 114.05 1r21 h HIS 48 Ca 0.30 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1r21 h HIS 48 Cb 0.43 0.04 -0.14 0.00 1.55 0.00 0.00 27.41 29.28 1r21 h HIS 48 CO 1.05 -0.07 -0.57 0.00 -1.30 0.00 0.00 177.93 177.03 1r21 s LYS 50 N -3.96 0.02 -0.31 0.00 2.20 -0.56 -0.54 119.74 116.59 1r21 s LYS 50 Ca 0.14 0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.90 1r21 s LYS 50 Cb 0.07 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 1r21 s LYS 50 CO -0.05 -0.15 0.15 0.42 -0.36 0.00 0.00 175.35 175.36 1r21 s ILE 51 N 1.00 4.62 -0.09 5.43 1.01 -0.21 0.36 121.20 133.32 1r21 s ILE 51 Ca -0.08 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1r21 s ILE 51 Cb -0.11 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1r21 s ILE 51 CO -0.04 0.08 0.25 -0.70 0.00 0.00 0.00 174.94 174.53 1r21 s GLU 52 N 1.62 3.76 -0.18 2.79 2.12 0.49 -1.14 118.70 128.16 1r21 s GLU 52 Ca 0.05 0.07 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 1r21 s GLU 52 Cb -0.17 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1r21 s GLU 52 CO 0.06 0.64 0.07 -1.50 -0.54 0.00 0.00 175.26 173.99 1r21 s ILE 53 N -0.72 4.84 0.52 -3.70 1.10 -0.92 0.19 121.20 122.50 1r21 s ILE 53 Ca 0.18 -0.02 0.06 0.00 -0.51 0.00 0.00 60.65 60.36 1r21 s ILE 53 Cb -0.14 -3.18 0.03 0.00 0.15 0.00 0.00 42.46 39.33 1r21 s ILE 53 CO 0.07 0.47 0.43 -1.00 -2.11 0.00 0.00 174.94 172.79 1r21 s HIS 54 N 0.27 1.83 0.20 3.50 3.76 0.57 -4.95 115.29 120.47 1r21 s HIS 54 Ca 0.04 -0.76 -0.09 0.00 -0.15 0.00 0.00 55.06 54.10 1r21 s HIS 54 Cb -0.12 -1.99 0.27 0.00 1.11 0.00 0.00 32.58 31.86 1r21 s HIS 54 CO 0.00 -0.45 1.18 -1.91 -0.85 0.00 0.00 174.74 172.71 1r21 n GLU 55 N -1.75 -0.12 -2.26 1.40 4.07 -1.26 -2.86 120.64 117.86 1r21 n GLU 55 Ca 0.01 1.18 0.00 0.00 -0.06 0.00 0.00 57.16 58.29 1r21 n GLU 55 Cb 0.64 -1.75 0.04 0.00 -0.06 0.00 0.00 31.44 30.30 1r21 n GLU 55 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1r21 n GLN 56 N -5.18 1.03 -3.70 5.31 10.64 -1.26 -5.11 117.38 119.10 1r21 n GLN 56 Ca 0.10 -2.45 -0.14 0.00 -1.83 0.00 0.00 57.00 52.68 1r21 n GLN 56 Cb 0.35 -0.61 -0.08 0.00 -0.86 0.00 0.00 30.24 29.04 1r21 n GLN 56 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1r21 s GLU 57 N -1.71 0.75 -0.12 2.61 2.56 -1.13 -5.14 118.70 116.52 1r21 s GLU 57 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.97 55.15 1r21 s GLU 57 Cb 0.33 0.34 -0.03 0.00 2.00 0.00 0.00 34.13 36.77 1r21 s GLU 57 CO -0.09 -0.21 -0.05 0.00 -0.56 0.00 0.00 175.26 174.36 1r21 s ALA 58 N -1.19 3.01 -0.08 6.30 0.00 -1.26 0.21 121.76 128.76 1r21 s ALA 58 Ca -0.12 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1r21 s ALA 58 Cb -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1r21 s ALA 58 CO 0.05 0.36 -0.19 0.42 0.00 0.00 0.00 175.76 176.40 1r21 s ILE 59 N -0.12 1.67 0.11 0.00 -1.09 0.49 -3.09 121.20 119.18 1r21 s ILE 59 Ca 0.02 -0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 57.41 1r21 s ILE 59 Cb -0.13 -1.46 -0.07 0.00 -1.58 0.00 0.00 42.46 39.22 1r21 s ILE 59 CO 0.03 0.47 0.71 -0.22 -1.23 0.00 0.00 174.94 174.70 1r21 s LEU 60 N 0.42 4.54 -0.62 2.97 2.96 -0.78 0.18 118.68 128.36 1r21 s LEU 60 Ca -0.16 1.49 0.05 0.00 -0.22 0.00 0.00 54.13 55.29 1r21 s LEU 60 Cb -0.17 -3.17 0.17 0.00 0.50 0.00 0.00 46.19 43.53 1r21 s LEU 60 CO 0.06 0.19 0.46 1.41 -1.32 0.00 0.00 176.35 177.15 1r21 n HIS 61 N 1.90 2.00 -2.24 5.38 8.25 1.11 -2.56 115.22 129.06 1r21 n HIS 61 Ca -0.06 -4.01 -0.42 0.00 -0.26 0.00 0.00 57.72 52.97 1r21 n HIS 61 Cb 0.50 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.06 6.85 -0.18 0.41 3.84 -1.26 -1.50 114.94 122.05 1r21 s ASN 62 Ca 0.28 2.03 0.17 0.00 0.21 0.00 0.00 52.86 55.55 1r21 s ASN 62 Cb -0.01 -2.55 -0.25 0.00 -0.55 0.00 0.00 41.25 37.89 1r21 s ASN 62 CO -0.17 -0.75 0.16 0.49 -2.79 0.00 0.00 177.10 174.03 1r21 n PHE 63 N 5.88 0.14 -1.80 0.43 3.72 -0.71 -4.63 117.46 120.49 1r21 n PHE 63 Ca 0.14 0.05 -0.37 0.00 -0.05 0.00 0.00 57.45 57.22 1r21 n PHE 63 Cb 0.44 -1.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.02 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 -5.56 4.85 0.04 4.37 1.04 -1.07 -4.97 113.70 112.40 1r21 s SER 64 Ca -0.09 2.61 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 1r21 s SER 64 Cb 0.06 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1r21 s SER 64 CO 0.83 -1.84 -0.05 -0.24 0.98 0.00 0.00 173.24 172.92 1r21 n SER 65 N -1.65 1.09 -0.01 7.02 2.88 -1.26 -4.51 113.62 117.18 1r21 n SER 65 Ca 0.14 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1r21 n SER 65 Cb 0.48 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1r21 n SER 65 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1r21 h THR 66 N -0.15 1.12 -3.30 2.46 2.02 -2.02 -3.32 112.91 109.71 1r21 h THR 66 Ca -0.02 -0.34 -0.69 0.00 0.77 0.00 0.00 66.41 66.14 1r21 h THR 66 Cb 0.30 1.17 -0.37 0.00 -1.74 0.00 0.00 68.15 67.52 1r21 h THR 66 CO -0.01 0.10 -0.23 0.54 0.37 0.00 0.00 175.52 176.29 1r21 s ASN 67 N -5.42 5.64 0.42 4.18 2.20 -1.26 -5.08 114.94 115.62 1r21 s ASN 67 Ca -0.14 -3.63 -0.22 0.00 -0.94 0.00 0.00 52.86 47.93 1r21 s ASN 67 Cb 0.06 -1.84 -0.09 0.00 -2.00 0.00 0.00 41.25 37.37 1r21 s ASN 67 CO 0.68 -0.19 1.01 -2.16 -2.94 0.00 0.00 177.10 173.51 1r21 s PRO 68 N -1.20 4.12 0.71 3.55 0.04 -1.25 -4.72 135.00 136.25 1r21 s PRO 68 Ca 0.25 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1r21 s PRO 68 Cb -0.09 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1r21 s PRO 68 CO -0.12 -0.15 1.15 0.99 0.04 0.00 0.00 177.00 178.91 1r21 s THR 69 N -1.86 2.80 0.14 1.26 2.01 -1.26 -4.77 115.64 113.95 1r21 s THR 69 Ca 0.61 0.37 0.08 0.00 0.31 0.00 0.00 61.69 63.06 1r21 s THR 69 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1r21 s THR 69 CO 0.22 -0.23 -0.19 -1.10 -0.69 0.00 0.00 174.62 172.62 1r21 s GLN 70 N -4.08 1.20 -0.08 4.92 -0.21 0.44 -2.28 119.66 119.57 1r21 s GLN 70 Ca 0.70 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1r21 s GLN 70 Cb -0.24 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.47 1r21 s GLN 70 CO 0.44 0.28 -0.09 0.08 -2.12 0.00 0.00 175.29 173.88 1r21 s VAL 71 N -1.72 1.00 -0.96 1.09 1.01 -0.86 0.19 120.40 120.13 1r21 s VAL 71 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1r21 s VAL 71 Cb -0.07 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1r21 s VAL 71 CO 0.05 0.34 0.19 0.59 0.00 0.00 0.00 175.10 176.27 1r21 n ASN 72 N 4.28 -3.25 0.00 3.32 3.02 -0.60 0.26 115.26 122.29 1r21 n ASN 72 Ca -0.19 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1r21 n ASN 72 Cb 0.51 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 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 -0.88 0.76 3.97 7.41 0.00 -1.26 -5.05 105.19 110.14 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 -1.35 0.00 0.00 0.00 173.32 171.97 1r21 s SER 74 N -2.55 4.64 -0.04 1.61 1.04 0.72 -5.10 113.70 114.02 1r21 s SER 74 Ca 0.00 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1r21 s SER 74 Cb 0.00 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 1r21 s SER 74 CO 0.00 -1.64 -0.14 -0.69 0.98 0.00 0.00 173.24 171.75 1r21 s VAL 75 N -3.08 3.12 -0.64 5.02 1.01 -1.26 -2.04 120.40 122.53 1r21 s VAL 75 Ca 0.63 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1r21 s VAL 75 Cb -0.08 -2.24 0.17 0.00 0.00 0.00 0.00 36.38 34.23 1r21 s VAL 75 CO 0.43 0.57 0.46 -0.63 0.00 0.00 0.00 175.10 175.93 1r21 s ILE 76 N -0.76 3.79 0.11 2.22 1.01 -0.97 -4.88 121.20 121.73 1r21 s ILE 76 Ca 0.12 -2.98 -0.16 0.00 0.00 0.00 0.00 60.65 57.63 1r21 s ILE 76 Cb -0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1r21 s ILE 76 CO 0.01 -0.89 1.57 0.44 0.00 0.00 0.00 174.94 176.07 1r21 h ASP 77 N 7.01 0.57 -4.00 3.58 3.32 -1.95 -3.41 116.42 121.55 1r21 h ASP 77 Ca -0.01 -0.29 -0.46 0.00 0.02 0.00 0.00 57.03 56.30 1r21 h ASP 77 Cb 0.95 -0.15 -0.14 0.00 0.22 0.00 0.00 39.33 40.21 1r21 h ASP 77 CO 0.71 0.71 -0.56 -1.61 -1.72 0.00 0.00 179.24 176.78 1r21 s GLU 78 N -5.08 1.68 0.37 3.56 0.41 -1.26 -4.99 118.70 113.38 1r21 s GLU 78 Ca -0.13 -1.97 -0.27 0.00 -0.41 0.00 0.00 54.97 52.19 1r21 s GLU 78 Cb 0.09 -0.40 -0.11 0.00 -1.78 0.00 0.00 34.13 31.93 1r21 s GLU 78 CO 0.77 -0.39 1.24 -2.30 -0.49 0.00 0.00 175.26 174.09 1r21 n PRO 79 N -0.68 1.96 -4.15 0.39 -0.02 -1.26 -4.76 135.00 126.48 1r21 n PRO 79 Ca -0.02 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1r21 n PRO 79 Cb 0.65 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.14 0.18 0.18 -1.45 -7.23 -1.06 -5.00 120.40 104.88 1r21 s VAL 80 Ca 0.58 -1.90 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 1r21 s VAL 80 Cb -0.55 -1.97 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 1r21 s VAL 80 CO 0.60 -0.55 0.59 -0.60 -0.31 0.00 0.00 175.10 174.83 1r21 s ARG 81 N -4.01 4.02 0.12 4.82 3.52 -1.26 -1.87 118.95 124.29 1r21 s ARG 81 Ca 0.21 0.56 0.10 0.00 -0.13 0.00 0.00 55.73 56.47 1r21 s ARG 81 Cb 0.07 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1r21 s ARG 81 CO 0.00 0.43 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.20 1r21 s LEU 82 N -2.08 2.53 0.20 -0.88 1.02 -1.18 -4.95 118.68 113.34 1r21 s LEU 82 Ca 0.40 -0.64 0.07 0.00 0.02 0.00 0.00 54.13 53.98 1r21 s LEU 82 Cb -0.15 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 1r21 s LEU 82 CO 0.20 0.18 0.07 -0.54 0.02 0.00 0.00 176.35 176.27 1r21 s LYS 83 N -2.09 2.60 0.36 1.70 1.02 -1.26 -4.59 119.74 117.47 1r21 s LYS 83 Ca 0.16 -1.09 -0.26 0.00 0.02 0.00 0.00 55.97 54.80 1r21 s LYS 83 Cb -0.10 -2.43 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 1r21 s LYS 83 CO 0.08 0.44 0.95 1.58 -0.92 0.00 0.00 175.35 177.48 1r21 n HIS 84 N -0.49 1.00 -0.64 3.18 -0.00 -1.26 -1.14 115.22 115.87 1r21 n HIS 84 Ca -0.08 0.63 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 1r21 n HIS 84 Cb 0.56 -2.21 0.00 0.00 -0.00 0.00 0.00 29.99 28.34 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 1.28 1.61 3.77 1.57 0.00 -0.69 -5.01 105.19 107.72 1r21 n GLY 85 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1r21 n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r21 s ASP 86 N -3.30 6.52 -0.15 1.61 -1.08 -0.29 -4.78 116.67 115.21 1r21 s ASP 86 Ca 0.00 2.73 -0.01 0.00 -0.52 0.00 0.00 52.55 54.74 1r21 s ASP 86 Cb 0.00 -2.65 -0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1r21 s ASP 86 CO 0.00 -0.71 -0.10 0.54 0.52 0.00 0.00 175.17 175.42 1r21 s VAL 87 N -1.19 3.28 -0.18 1.11 0.11 -1.26 -0.92 120.40 121.35 1r21 s VAL 87 Ca 0.53 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.93 1r21 s VAL 87 Cb -0.40 -2.40 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1r21 s VAL 87 CO 0.53 0.51 0.05 -0.63 -3.33 0.00 0.00 175.10 172.22 1r21 s ILE 88 N 0.48 4.68 -0.15 7.04 1.01 0.53 -1.55 121.20 133.23 1r21 s ILE 88 Ca -0.07 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1r21 s ILE 88 Cb -0.15 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1r21 s ILE 88 CO 0.04 0.47 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 1r21 s THR 89 N 0.32 2.04 0.00 2.92 2.01 0.49 0.19 115.64 123.61 1r21 s THR 89 Ca 0.02 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1r21 s THR 89 Cb -0.13 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1r21 s THR 89 CO 0.00 0.54 0.00 -0.38 -0.69 0.00 0.00 174.62 174.10 1r21 n ILE 90 N 4.28 0.00 -0.17 1.82 2.08 0.60 0.17 119.36 128.14 1r21 n ILE 90 Ca -0.20 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.02 1r21 n ILE 90 Cb 0.51 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.41 1r21 n ILE 90 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1r21 h ILE 91 N 0.00 1.21 0.00 1.39 2.04 -1.89 -3.40 117.51 116.86 1r21 h ILE 91 Ca 0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1r21 h ILE 91 Cb 0.00 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1r21 h ILE 91 CO 0.00 0.24 0.00 -0.90 0.00 0.00 0.00 178.15 177.49 1r21 n ASP 92 N -4.58 0.00 -4.37 1.72 5.75 -1.26 -5.11 116.55 108.71 1r21 n ASP 92 Ca 0.01 -1.00 -0.27 0.00 -0.01 0.00 0.00 54.79 53.53 1r21 n ASP 92 Cb 0.15 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.11 1r21 n ASP 92 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1r21 s ARG 93 N 0.00 1.34 0.01 0.11 0.52 -1.26 -5.11 118.95 114.57 1r21 s ARG 93 Ca 0.00 -1.34 0.04 0.00 -0.52 0.00 0.00 55.73 53.92 1r21 s ARG 93 Cb 0.00 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 1r21 s ARG 93 CO 0.00 0.40 -0.10 -1.12 0.02 0.00 0.00 175.30 174.49 1r21 s SER 94 N -2.16 4.36 0.03 0.23 0.01 -1.26 -0.29 113.70 114.62 1r21 s SER 94 Ca 0.13 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1r21 s SER 94 Cb -0.09 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 1r21 s SER 94 CO 0.06 0.27 -0.10 -0.36 0.41 0.00 0.00 173.24 173.52 1r21 s PHE 95 N -0.97 0.90 -0.06 2.43 0.40 0.50 -2.21 117.98 118.96 1r21 s PHE 95 Ca 0.16 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 1r21 s PHE 95 Cb -0.11 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.86 1r21 s PHE 95 CO 0.07 -0.01 -0.19 1.03 0.70 0.00 0.00 175.22 176.82 1r21 s ARG 96 N -1.04 2.61 -0.46 0.44 0.52 0.24 0.20 118.95 121.46 1r21 s ARG 96 Ca -0.02 -0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 54.31 1r21 s ARG 96 Cb -0.07 -2.31 0.11 0.00 0.52 0.00 0.00 34.95 33.20 1r21 s ARG 96 CO 0.01 0.47 0.33 -0.47 0.02 0.00 0.00 175.30 175.66 1r21 s TYR 97 N -0.36 3.42 -0.11 -0.53 5.04 -0.10 -2.05 117.35 122.65 1r21 s TYR 97 Ca 0.03 -1.84 0.02 0.00 -2.44 0.00 0.00 57.07 52.85 1r21 s TYR 97 Cb -0.12 -3.43 -0.00 0.00 0.35 0.00 0.00 41.96 38.75 1r21 s TYR 97 CO 0.02 -0.98 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.05 1r21 s GLU 98 N 1.37 3.17 -0.46 4.97 2.12 -1.06 -1.70 118.70 127.11 1r21 s GLU 98 Ca 0.05 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.59 1r21 s GLU 98 Cb -0.26 -2.43 0.12 0.00 0.26 0.00 0.00 34.13 31.83 1r21 s GLU 98 CO -0.00 0.18 0.21 1.21 -0.54 0.00 0.00 175.26 176.31 1r21 s ASN 99 N 0.38 4.81 0.00 -1.70 3.84 -1.26 -1.75 114.94 119.25 1r21 s ASN 99 Ca -0.15 -2.51 0.08 0.00 0.21 0.00 0.00 52.86 50.48 1r21 s ASN 99 Cb -0.17 -1.71 0.48 0.00 -0.55 0.00 0.00 41.25 39.30 1r21 s ASN 99 CO 0.07 -0.36 0.93 1.21 -2.79 0.00 0.00 177.10 176.16