#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nr2 s GLN 2 N 0.00 4.34 0.04 2.12 0.74 -1.26 -2.06 119.66 123.57 2nr2 s GLN 2 Ca 0.00 1.60 0.01 0.00 0.05 0.00 0.00 55.36 57.02 2nr2 s GLN 2 Cb 0.00 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 2nr2 s GLN 2 CO 0.00 -0.48 -0.05 0.96 -0.55 0.00 0.00 175.29 175.17 2nr2 s ILE 3 N 2.48 0.33 -0.06 -2.34 -4.36 -0.85 -1.37 121.20 115.03 2nr2 s ILE 3 Ca 0.53 -1.17 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 2nr2 s ILE 3 Cb -0.22 -0.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.79 2nr2 s ILE 3 CO 0.19 -0.55 -0.03 -0.36 0.24 0.00 0.00 174.94 174.42 2nr2 s PHE 4 N -1.93 3.05 -0.10 1.37 0.08 0.37 -1.38 117.98 119.43 2nr2 s PHE 4 Ca -0.09 0.10 0.03 0.00 0.12 0.00 0.00 56.93 57.09 2nr2 s PHE 4 Cb -0.06 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2nr2 s PHE 4 CO -0.02 0.41 -0.21 0.08 -0.10 0.00 0.00 175.22 175.38 2nr2 s VAL 5 N -0.90 1.86 -0.07 -0.44 1.01 0.04 -1.06 120.40 120.83 2nr2 s VAL 5 Ca 0.14 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2nr2 s VAL 5 Cb -0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2nr2 s VAL 5 CO 0.04 0.51 -0.24 -0.75 0.00 0.00 0.00 175.10 174.66 2nr2 s LYS 6 N 0.53 2.67 1.12 2.72 2.20 -0.02 -1.14 119.74 127.82 2nr2 s LYS 6 Ca -0.15 -0.87 -0.17 0.00 -0.36 0.00 0.00 55.97 54.42 2nr2 s LYS 6 Cb -0.17 -2.16 0.25 0.00 -1.51 0.00 0.00 37.83 34.23 2nr2 s LYS 6 CO 0.05 0.29 1.12 0.95 -0.36 0.00 0.00 175.35 177.41 2nr2 s THR 7 N 0.05 1.76 0.16 3.43 -4.23 -0.62 -1.50 115.64 114.68 2nr2 s THR 7 Ca -0.09 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 2nr2 s THR 7 Cb -0.15 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2nr2 s THR 7 CO 0.06 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.02 2nr2 h LEU 8 N -2.28 0.88 -0.15 4.79 5.85 -1.86 -3.27 115.31 119.26 2nr2 h LEU 8 Ca -0.48 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 57.94 2nr2 h LEU 8 Cb 1.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2nr2 h LEU 8 CO 0.42 0.94 -0.01 0.74 -0.34 0.00 0.00 178.44 180.19 2nr2 h THR 9 N 0.79 1.26 0.00 1.05 2.02 -1.93 -3.47 112.91 112.62 2nr2 h THR 9 Ca 0.16 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2nr2 h THR 9 Cb 0.45 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2nr2 h THR 9 CO 0.02 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.77 2nr2 n GLY 10 N -0.25 0.18 3.57 2.16 0.00 -1.23 -5.13 105.19 104.48 2nr2 n GLY 10 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2nr2 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nr2 s LYS 11 N 0.00 3.78 -0.18 1.61 2.20 -1.26 -4.87 119.74 121.01 2nr2 s LYS 11 Ca 0.00 -0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.18 2nr2 s LYS 11 Cb 0.00 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2nr2 s LYS 11 CO 0.00 -0.38 0.49 0.99 -0.36 0.00 0.00 175.35 176.09 2nr2 s THR 12 N 1.99 5.14 -0.16 3.43 2.01 -1.26 -1.59 115.64 125.19 2nr2 s THR 12 Ca 0.12 0.92 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 2nr2 s THR 12 Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2nr2 s THR 12 CO 0.11 0.22 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.54 2nr2 s ILE 13 N 1.34 3.23 -0.23 1.82 1.01 -0.29 -4.98 121.20 123.11 2nr2 s ILE 13 Ca 0.24 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 2nr2 s ILE 13 Cb -0.15 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 2nr2 s ILE 13 CO 0.09 0.49 0.13 -0.89 0.00 0.00 0.00 174.94 174.76 2nr2 s THR 14 N 0.74 5.14 0.20 2.92 2.01 -1.26 -0.78 115.64 124.60 2nr2 s THR 14 Ca -0.04 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2nr2 s THR 14 Cb -0.15 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2nr2 s THR 14 CO 0.02 0.37 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.41 2nr2 s LEU 15 N 0.97 2.54 -0.03 4.42 1.43 -0.48 -5.03 118.68 122.51 2nr2 s LEU 15 Ca 0.06 -1.00 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2nr2 s LEU 15 Cb -0.13 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2nr2 s LEU 15 CO 0.04 -0.15 -0.24 -0.70 0.23 0.00 0.00 176.35 175.53 2nr2 s GLU 16 N -3.53 2.29 0.14 1.70 2.56 -1.26 -2.00 118.70 118.59 2nr2 s GLU 16 Ca 0.22 -0.89 -0.07 0.00 0.00 0.00 0.00 54.97 54.23 2nr2 s GLU 16 Cb -0.01 -2.12 -0.02 0.00 2.00 0.00 0.00 34.13 33.98 2nr2 s GLU 16 CO 0.07 0.52 0.20 0.14 -0.56 0.00 0.00 175.26 175.63 2nr2 s VAL 17 N -0.49 0.09 -0.01 3.70 -7.23 -0.87 -4.90 120.40 110.69 2nr2 s VAL 17 Ca 0.06 -1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 2nr2 s VAL 17 Cb -0.11 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2nr2 s VAL 17 CO 0.00 -0.42 0.22 -1.61 -0.31 0.00 0.00 175.10 172.98 2nr2 s GLU 18 N -3.97 3.51 0.23 4.82 2.02 -1.26 0.35 118.70 124.40 2nr2 s GLU 18 Ca 0.17 -0.19 0.23 0.00 0.02 0.00 0.00 54.97 55.20 2nr2 s GLU 18 Cb 0.05 -3.09 0.94 0.00 0.10 0.00 0.00 34.13 32.12 2nr2 s GLU 18 CO -0.02 0.67 1.71 -0.35 0.02 0.00 0.00 175.26 177.29 2nr2 n PRO 19 N 1.09 0.19 0.00 0.39 -0.04 -1.26 -1.48 135.00 133.88 2nr2 n PRO 19 Ca -0.12 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2nr2 n PRO 19 Cb 0.53 -1.83 0.42 0.00 -0.04 0.00 0.00 33.50 32.57 2nr2 n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2nr2 n SER 20 N -2.18 0.54 -4.80 3.54 2.88 -1.26 -2.01 113.62 110.33 2nr2 n SER 20 Ca 0.03 -0.36 -0.34 0.00 -1.33 0.00 0.00 58.87 56.87 2nr2 n SER 20 Cb 0.25 0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2nr2 s ASP 21 N -2.77 6.16 0.93 -3.46 1.01 -0.55 -4.85 116.67 113.14 2nr2 s ASP 21 Ca 0.19 1.90 -0.12 0.00 0.71 0.00 0.00 52.55 55.22 2nr2 s ASP 21 Cb 0.19 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.71 2nr2 s ASP 21 CO 0.58 -0.91 1.13 0.42 0.21 0.00 0.00 175.17 176.60 2nr2 s THR 22 N -2.12 2.00 0.08 -1.27 -4.23 -1.26 -3.25 115.64 105.59 2nr2 s THR 22 Ca 0.66 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 2nr2 s THR 22 Cb -0.16 -2.71 -0.25 0.00 1.34 0.00 0.00 72.50 70.72 2nr2 s THR 22 CO 0.25 0.00 1.19 0.40 -0.54 0.00 0.00 174.62 175.92 2nr2 h ILE 23 N -1.57 1.34 -0.86 2.99 1.08 -1.03 -1.28 117.51 118.18 2nr2 h ILE 23 Ca -0.51 -2.48 0.15 0.00 -0.39 0.00 0.00 64.86 61.62 2nr2 h ILE 23 Cb 1.33 2.58 -0.15 0.00 -3.07 0.00 0.00 36.82 37.51 2nr2 h ILE 23 CO 0.61 0.75 -0.34 -0.08 -0.69 0.00 0.00 178.15 178.41 2nr2 h GLU 24 N 0.27 -0.04 -0.56 2.37 4.81 -0.94 0.44 114.58 120.92 2nr2 h GLU 24 Ca -0.14 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2nr2 h GLU 24 Cb 1.78 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.14 2nr2 h GLU 24 CO 0.21 -0.03 0.37 -0.97 -0.73 0.00 0.00 179.01 177.85 2nr2 h ASN 25 N -0.05 0.63 -0.51 1.04 -0.73 -1.77 0.48 115.58 114.67 2nr2 h ASN 25 Ca 0.33 -0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.44 2nr2 h ASN 25 Cb 0.60 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 2nr2 h ASN 25 CO -0.89 0.46 0.13 0.58 -0.37 0.00 0.00 177.43 177.34 2nr2 h VAL 26 N 0.75 1.24 -0.92 2.57 2.07 -0.21 -1.63 116.25 120.12 2nr2 h VAL 26 Ca 0.21 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2nr2 h VAL 26 Cb -0.08 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 2nr2 h VAL 26 CO -0.05 0.31 0.60 0.11 0.02 0.00 0.00 177.57 178.55 2nr2 h LYS 27 N 0.71 1.12 -0.61 1.57 1.57 0.12 -2.38 116.57 118.67 2nr2 h LYS 27 Ca 0.16 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2nr2 h LYS 27 Cb 0.32 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2nr2 h LYS 27 CO 0.00 0.74 0.26 0.00 -0.57 0.00 0.00 179.45 179.89 2nr2 h ALA 28 N 1.38 1.32 -0.53 3.86 0.00 -0.55 -1.59 119.26 123.15 2nr2 h ALA 28 Ca 0.37 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2nr2 h ALA 28 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2nr2 h ALA 28 CO -0.13 0.52 -0.14 -0.22 0.00 0.00 0.00 179.25 179.29 2nr2 h LYS 29 N 0.87 1.02 -0.17 0.00 3.64 -0.93 -0.87 116.57 120.13 2nr2 h LYS 29 Ca 0.21 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2nr2 h LYS 29 Cb 0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2nr2 h LYS 29 CO -0.02 1.08 0.08 0.82 -2.27 0.00 0.00 179.45 179.14 2nr2 h ILE 30 N 0.90 1.13 -1.01 2.00 2.04 -1.29 -2.70 117.51 118.58 2nr2 h ILE 30 Ca 0.13 -0.38 0.25 0.00 1.00 0.00 0.00 64.86 65.86 2nr2 h ILE 30 Cb 0.71 1.07 -0.12 0.00 -0.74 0.00 0.00 36.82 37.74 2nr2 h ILE 30 CO 0.05 0.12 0.60 -0.61 0.00 0.00 0.00 178.15 178.32 2nr2 h GLN 31 N 0.14 0.55 -0.51 2.37 4.15 -1.26 -0.58 115.11 119.98 2nr2 h GLN 31 Ca 0.06 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2nr2 h GLN 31 Cb 0.12 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2nr2 h GLN 31 CO -0.01 0.36 0.32 0.22 -1.93 0.00 0.00 178.83 177.80 2nr2 h ASP 32 N 0.56 0.55 0.00 -0.69 3.58 -0.85 -3.12 116.42 116.45 2nr2 h ASP 32 Ca 0.64 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2nr2 h ASP 32 Cb 1.26 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2nr2 h ASP 32 CO -0.46 0.39 0.00 0.29 -2.88 0.00 0.00 179.24 176.58 2nr2 n LYS 33 N -4.76 0.00 0.12 0.28 5.02 -0.59 -4.70 118.16 113.53 2nr2 n LYS 33 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 2nr2 n LYS 33 Cb 0.04 -0.30 0.09 0.00 -0.02 0.00 0.00 35.03 34.84 2nr2 n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2nr2 h GLU 34 N 0.00 0.00 0.00 1.97 4.39 -1.35 -3.47 114.58 116.12 2nr2 h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nr2 h GLU 34 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2nr2 h GLU 34 CO 0.00 0.67 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 2nr2 n GLY 35 N 0.79 1.03 3.63 -3.84 0.00 -1.09 -5.01 105.19 100.70 2nr2 n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2nr2 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nr2 s ILE 36 N -2.00 3.16 0.53 -0.61 1.01 -1.26 -4.78 121.20 117.24 2nr2 s ILE 36 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 2nr2 s ILE 36 Cb 0.00 -3.16 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 2nr2 s ILE 36 CO 0.00 -0.06 1.19 -2.84 0.00 0.00 0.00 174.94 173.22 2nr2 s PRO 37 N 5.21 3.37 0.41 2.79 0.02 -1.26 -3.65 135.00 141.89 2nr2 s PRO 37 Ca 0.89 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.79 2nr2 s PRO 37 Cb -0.35 -2.14 0.87 0.00 0.02 0.00 0.00 34.50 32.89 2nr2 s PRO 37 CO 0.36 -0.88 2.01 -1.35 -0.33 0.00 0.00 177.00 176.81 2nr2 h PRO 38 N 1.43 0.37 -0.08 5.54 0.11 -1.91 0.41 132.00 137.87 2nr2 h PRO 38 Ca -0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 2nr2 h PRO 38 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2nr2 h PRO 38 CO 0.58 0.33 -0.05 0.22 -0.21 0.00 0.00 178.00 178.87 2nr2 h ASP 39 N 0.37 0.10 1.05 -2.05 3.58 -1.98 -2.84 116.42 114.64 2nr2 h ASP 39 Ca 0.09 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.41 2nr2 h ASP 39 Cb 0.13 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2nr2 h ASP 39 CO -0.01 0.18 -1.01 1.56 -2.88 0.00 0.00 179.24 177.08 2nr2 h GLN 40 N 0.11 0.00 -6.10 0.28 4.20 -1.22 -3.45 115.11 108.93 2nr2 h GLN 40 Ca 0.03 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.15 2nr2 h GLN 40 Cb 0.17 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 2nr2 h GLN 40 CO 0.01 0.32 0.71 -0.65 -0.67 0.00 0.00 178.83 178.55 2nr2 s GLN 41 N -3.00 4.10 -0.19 1.46 -0.21 -0.59 -1.00 119.66 120.23 2nr2 s GLN 41 Ca 0.00 1.03 -0.05 0.00 0.02 0.00 0.00 55.36 56.36 2nr2 s GLN 41 Cb 0.08 -3.71 -0.02 0.00 1.00 0.00 0.00 33.01 30.36 2nr2 s GLN 41 CO 0.78 -0.76 -0.01 0.50 -2.12 0.00 0.00 175.29 173.67 2nr2 s ARG 42 N 3.34 3.59 -0.14 2.91 3.52 -0.96 -4.90 118.95 126.30 2nr2 s ARG 42 Ca 0.42 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2nr2 s ARG 42 Cb -0.13 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2nr2 s ARG 42 CO 0.12 0.02 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.91 2nr2 s LEU 43 N 0.95 2.16 -0.23 -0.88 1.43 -1.26 -1.44 118.68 119.41 2nr2 s LEU 43 Ca 0.01 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2nr2 s LEU 43 Cb -0.14 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2nr2 s LEU 43 CO 0.02 0.08 -0.07 -0.63 0.23 0.00 0.00 176.35 175.98 2nr2 s ILE 44 N 0.82 2.96 -0.41 -0.59 -1.09 0.05 -1.33 121.20 121.61 2nr2 s ILE 44 Ca -0.07 -0.83 -0.12 0.00 -2.23 0.00 0.00 60.65 57.40 2nr2 s ILE 44 Cb -0.15 -2.42 0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2nr2 s ILE 44 CO -0.02 0.31 0.27 0.12 -1.23 0.00 0.00 174.94 174.40 2nr2 s PHE 45 N 1.38 3.26 0.00 3.97 5.36 0.56 -0.46 117.98 132.04 2nr2 s PHE 45 Ca 0.03 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.02 2nr2 s PHE 45 Cb -0.15 -2.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 2nr2 s PHE 45 CO -0.05 -0.70 0.00 0.00 -1.46 0.00 0.00 175.22 173.01 2nr2 n ALA 46 N 5.06 0.00 -2.11 11.12 0.00 -1.26 -0.29 120.51 133.02 2nr2 n ALA 46 Ca -0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.37 2nr2 n ALA 46 Cb 0.45 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.00 2nr2 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nr2 n GLY 47 N 0.00 2.95 3.27 0.00 0.00 -1.26 -5.04 105.19 105.11 2nr2 n GLY 47 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2nr2 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nr2 s LYS 48 N -1.61 3.04 -0.35 1.61 1.02 0.60 -5.10 119.74 118.94 2nr2 s LYS 48 Ca 0.36 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.35 2nr2 s LYS 48 Cb 0.38 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 2nr2 s LYS 48 CO -0.12 0.23 0.41 -1.14 -0.92 0.00 0.00 175.35 173.81 2nr2 s GLN 49 N 0.24 3.55 0.16 1.68 0.74 -1.26 -0.32 119.66 124.44 2nr2 s GLN 49 Ca -0.14 -0.36 -0.26 0.00 0.05 0.00 0.00 55.36 54.64 2nr2 s GLN 49 Cb -0.17 -3.82 -0.08 0.00 1.10 0.00 0.00 33.01 30.05 2nr2 s GLN 49 CO 0.07 -0.58 0.82 -0.51 -0.55 0.00 0.00 175.29 174.54 2nr2 s LEU 50 N 2.14 4.58 0.01 3.68 1.43 -0.44 -5.01 118.68 125.05 2nr2 s LEU 50 Ca 0.14 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.76 2nr2 s LEU 50 Cb -0.16 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 2nr2 s LEU 50 CO 0.12 0.15 0.46 -1.61 0.23 0.00 0.00 176.35 175.70 2nr2 s GLU 51 N -0.90 4.04 0.16 1.70 2.02 -1.26 -4.72 118.70 119.74 2nr2 s GLU 51 Ca 0.38 0.50 -0.15 0.00 0.02 0.00 0.00 54.97 55.72 2nr2 s GLU 51 Cb -0.23 -3.25 0.08 0.00 0.10 0.00 0.00 34.13 30.83 2nr2 s GLU 51 CO 0.27 0.61 1.77 -0.44 0.02 0.00 0.00 175.26 177.49 2nr2 h ASP 52 N 4.91 0.25 0.29 -0.19 5.19 -1.96 -2.94 116.42 121.96 2nr2 h ASP 52 Ca -0.50 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2nr2 h ASP 52 Cb 1.21 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2nr2 h ASP 52 CO 0.64 0.18 0.00 0.61 -3.12 0.00 0.00 179.24 177.55 2nr2 n GLY 53 N -1.23 -0.82 3.95 2.75 0.00 -1.26 -0.36 105.19 108.22 2nr2 n GLY 53 Ca 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2nr2 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nr2 s ARG 54 N -2.52 2.37 0.58 1.61 0.52 -1.11 -4.95 118.95 115.45 2nr2 s ARG 54 Ca 0.17 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 2nr2 s ARG 54 Cb 0.11 -2.32 0.05 0.00 0.52 0.00 0.00 34.95 33.32 2nr2 s ARG 54 CO 0.25 -0.98 0.82 0.95 0.02 0.00 0.00 175.30 176.36 2nr2 s THR 55 N -3.02 2.56 0.22 0.02 -4.23 -1.26 -1.78 115.64 108.15 2nr2 s THR 55 Ca 0.59 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 60.36 2nr2 s THR 55 Cb -0.11 -2.92 0.17 0.00 1.34 0.00 0.00 72.50 70.98 2nr2 s THR 55 CO 0.42 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 176.30 2nr2 h LEU 56 N -0.04 0.83 -1.12 4.79 3.38 -1.60 -3.24 115.31 118.31 2nr2 h LEU 56 Ca -0.41 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2nr2 h LEU 56 Cb 1.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2nr2 h LEU 56 CO 0.51 0.59 0.16 -1.28 0.09 0.00 0.00 178.44 178.50 2nr2 h SER 57 N 0.98 0.72 -0.67 -0.43 0.87 -1.68 -2.78 113.55 110.55 2nr2 h SER 57 Ca 0.30 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2nr2 h SER 57 Cb -0.04 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 2nr2 h SER 57 CO -0.09 0.69 0.44 0.44 -0.53 0.00 0.00 176.83 177.78 2nr2 h ASP 58 N 0.76 0.55 0.01 6.23 3.32 -1.86 -2.36 116.42 123.06 2nr2 h ASP 58 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2nr2 h ASP 58 Cb 0.23 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2nr2 h ASP 58 CO -0.01 0.34 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.60 2nr2 n TYR 59 N -4.48 0.00 -1.91 4.55 4.01 -1.10 -4.95 117.16 113.28 2nr2 n TYR 59 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.71 2nr2 n TYR 59 Cb 0.28 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 2nr2 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2nr2 n ASN 60 N 0.17 -4.25 -4.68 7.72 3.02 -0.89 -4.97 115.26 111.38 2nr2 n ASN 60 Ca 0.18 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 2nr2 n ASN 60 Cb 0.37 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.29 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2nr2 s ILE 61 N -2.58 3.55 0.00 2.41 1.01 -1.07 -5.00 121.20 119.52 2nr2 s ILE 61 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2nr2 s ILE 61 Cb 0.00 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2nr2 s ILE 61 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.91 2nr2 n GLN 62 N 6.09 1.73 -1.65 2.79 10.64 -1.26 -4.71 117.38 131.01 2nr2 n GLN 62 Ca 0.15 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.87 2nr2 n GLN 62 Cb 0.43 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.78 2nr2 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2nr2 n LYS 63 N 0.00 1.84 -1.28 2.61 4.81 -1.26 -2.43 118.16 122.45 2nr2 n LYS 63 Ca 0.00 0.65 -0.10 0.00 -0.87 0.00 0.00 58.31 58.00 2nr2 n LYS 63 Cb 0.00 -2.27 -0.04 0.00 0.02 0.00 0.00 35.03 32.74 2nr2 n LYS 63 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2nr2 n GLU 64 N 1.94 -1.29 -2.42 1.64 0.28 -0.47 -4.98 120.64 115.34 2nr2 n GLU 64 Ca 0.12 0.79 -0.41 0.00 -0.16 0.00 0.00 57.16 57.51 2nr2 n GLU 64 Cb 0.30 -4.96 -0.04 0.00 1.43 0.00 0.00 31.44 28.17 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2nr2 s SER 65 N -2.50 7.18 -0.49 -1.84 0.01 -1.02 -4.70 113.70 110.35 2nr2 s SER 65 Ca 0.00 2.29 -0.06 0.00 1.31 0.00 0.00 55.95 59.49 2nr2 s SER 65 Cb 0.00 -2.62 0.13 0.00 0.21 0.00 0.00 66.02 63.73 2nr2 s SER 65 CO 0.00 -0.24 0.33 -0.89 0.41 0.00 0.00 173.24 172.85 2nr2 s THR 66 N -0.84 3.87 0.46 1.44 2.01 -1.26 -0.48 115.64 120.84 2nr2 s THR 66 Ca 0.47 -2.09 -0.21 0.00 0.31 0.00 0.00 61.69 60.17 2nr2 s THR 66 Cb -0.33 -3.57 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 2nr2 s THR 66 CO 0.41 -0.77 1.05 -0.76 -0.69 0.00 0.00 174.62 173.86 2nr2 s LEU 67 N 1.02 3.93 -0.26 4.42 1.02 -0.22 -4.75 118.68 123.84 2nr2 s LEU 67 Ca 0.09 1.99 -0.04 0.00 0.02 0.00 0.00 54.13 56.19 2nr2 s LEU 67 Cb -0.23 -4.45 0.02 0.00 0.02 0.00 0.00 46.19 41.54 2nr2 s LEU 67 CO -0.03 -0.74 -0.00 -2.28 0.02 0.00 0.00 176.35 173.32 2nr2 s HIS 68 N -1.86 3.09 -0.35 0.29 2.46 0.39 -0.84 115.29 118.47 2nr2 s HIS 68 Ca 0.65 -1.28 -0.12 0.00 0.47 0.00 0.00 55.06 54.78 2nr2 s HIS 68 Cb -0.19 -2.14 -0.00 0.00 -0.13 0.00 0.00 32.58 30.12 2nr2 s HIS 68 CO 0.23 -0.65 0.22 -1.17 -2.47 0.00 0.00 174.74 170.90 2nr2 s LEU 69 N 1.40 4.53 0.03 8.88 2.96 -0.56 -0.77 118.68 135.16 2nr2 s LEU 69 Ca 0.02 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2nr2 s LEU 69 Cb -0.17 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2nr2 s LEU 69 CO -0.02 -0.28 0.00 -0.69 -1.32 0.00 0.00 176.35 174.05 2nr2 s VAL 70 N 1.67 4.12 -0.37 1.68 1.01 -0.52 -2.62 120.40 125.36 2nr2 s VAL 70 Ca 0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2nr2 s VAL 70 Cb -0.18 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2nr2 s VAL 70 CO 0.09 0.28 0.37 -0.22 0.00 0.00 0.00 175.10 175.62 2nr2 s LEU 71 N -1.85 4.63 -0.30 3.92 2.96 -1.26 -2.28 118.68 124.50 2nr2 s LEU 71 Ca 0.22 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 2nr2 s LEU 71 Cb -0.12 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.26 2nr2 s LEU 71 CO 0.14 -0.42 1.09 -0.60 -1.32 0.00 0.00 176.35 175.24 2nr2 s ARG 72 N 2.01 4.09 0.41 1.98 3.52 -0.17 -5.02 118.95 125.77 2nr2 s ARG 72 Ca 0.11 1.15 0.03 0.00 -0.13 0.00 0.00 55.73 56.89 2nr2 s ARG 72 Cb -0.17 -3.73 -0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2nr2 s ARG 72 CO 0.12 -0.87 0.60 -0.51 -0.81 0.00 0.00 175.30 173.83 2nr2 s LEU 73 N 3.63 3.75 -0.02 -0.88 1.43 -1.26 -4.63 118.68 120.70 2nr2 s LEU 73 Ca 0.46 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.43 2nr2 s LEU 73 Cb -0.13 -3.00 -0.17 0.00 0.03 0.00 0.00 46.19 42.92 2nr2 s LEU 73 CO 0.14 -0.62 1.12 0.03 0.23 0.00 0.00 176.35 177.25 2nr2 h ARG 74 N 0.57 -0.25 -2.23 1.70 3.08 -2.02 -3.37 114.38 111.85 2nr2 h ARG 74 Ca -0.46 0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.03 2nr2 h ARG 74 Cb 1.26 0.06 -0.42 0.00 0.08 0.00 0.00 29.97 30.95 2nr2 h ARG 74 CO 0.55 0.13 -0.71 0.41 -1.07 0.00 0.00 179.97 179.29 2nr2 n GLY 75 N 0.10 5.20 0.00 0.04 0.00 -1.26 -5.31 105.19 103.95 2nr2 n GLY 75 Ca -0.09 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.31 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93