#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 3.87 0.19 3.17 1.11 -1.26 -0.32 119.66 126.41 2nr2 s GLN 2 Ca 0.00 0.21 0.10 0.00 0.01 0.00 0.00 55.36 55.68 2nr2 s GLN 2 Cb 0.00 -3.26 -0.04 0.00 -1.01 0.00 0.00 33.01 28.70 2nr2 s GLN 2 CO 0.00 0.62 -0.20 0.96 0.01 0.00 0.00 175.29 176.68 2nr2 s ILE 3 N -0.73 2.04 -0.21 1.08 -4.36 0.10 -4.26 121.20 114.86 2nr2 s ILE 3 Ca 0.20 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.54 2nr2 s ILE 3 Cb -0.15 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.58 2nr2 s ILE 3 CO 0.09 -0.30 -0.11 -0.36 0.24 0.00 0.00 174.94 174.50 2nr2 s PHE 4 N -2.08 2.91 -0.25 1.37 0.08 -0.98 0.54 117.98 119.58 2nr2 s PHE 4 Ca 0.19 -1.35 -0.05 0.00 0.12 0.00 0.00 56.93 55.85 2nr2 s PHE 4 Cb -0.06 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.37 2nr2 s PHE 4 CO 0.09 -0.69 -0.00 0.08 -0.10 0.00 0.00 175.22 174.60 2nr2 s VAL 5 N 1.37 3.56 0.40 -0.44 1.01 0.54 0.24 120.40 127.07 2nr2 s VAL 5 Ca 0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2nr2 s VAL 5 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2nr2 s VAL 5 CO -0.07 0.29 0.30 -0.54 0.00 0.00 0.00 175.10 175.08 2nr2 s LYS 6 N 1.48 2.48 0.00 2.72 1.02 0.09 -0.14 119.74 127.39 2nr2 s LYS 6 Ca 0.04 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2nr2 s LYS 6 Cb -0.15 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2nr2 s LYS 6 CO -0.01 -0.11 0.00 0.25 -0.92 0.00 0.00 175.35 174.56 2nr2 n THR 7 N -1.42 0.00 -0.04 2.17 -2.24 -1.03 0.67 114.28 112.38 2nr2 n THR 7 Ca 0.01 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 2nr2 n THR 7 Cb 0.62 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.93 2nr2 n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2nr2 h LEU 8 N 0.00 0.00 0.11 3.22 5.85 -1.93 -3.40 115.31 119.15 2nr2 h LEU 8 Ca 0.00 -0.76 -0.35 0.00 0.84 0.00 0.00 57.88 57.61 2nr2 h LEU 8 Cb 0.00 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2nr2 h LEU 8 CO 0.00 0.77 -1.89 0.71 -0.34 0.00 0.00 178.44 177.69 2nr2 h THR 9 N -0.76 0.73 0.00 1.05 1.35 -1.97 -3.48 112.91 109.83 2nr2 h THR 9 Ca -0.00 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2nr2 h THR 9 Cb 0.77 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 2nr2 h THR 9 CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 2nr2 n GLY 10 N 1.87 0.00 3.24 5.82 0.00 -1.26 -5.12 105.19 109.74 2nr2 n GLY 10 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 2.87 -0.19 1.61 2.47 -1.26 -4.94 119.74 120.29 2nr2 s LYS 11 Ca 0.00 -2.07 -0.20 0.00 -1.56 0.00 0.00 55.97 52.13 2nr2 s LYS 11 Cb 0.00 -4.08 -0.03 0.00 -1.46 0.00 0.00 37.83 32.26 2nr2 s LYS 11 CO 0.00 -1.24 0.60 0.99 0.16 0.00 0.00 175.35 175.86 2nr2 s THR 12 N 0.84 5.05 -0.11 3.43 2.01 -1.26 -2.46 115.64 123.13 2nr2 s THR 12 Ca 0.10 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.27 2nr2 s THR 12 Cb -0.22 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.38 2nr2 s THR 12 CO -0.03 0.14 -0.22 0.27 -0.69 0.00 0.00 174.62 174.09 2nr2 s ILE 13 N 1.74 2.17 -0.24 1.82 -4.36 0.80 -4.98 121.20 118.15 2nr2 s ILE 13 Ca 0.28 -0.97 -0.15 0.00 -0.26 0.00 0.00 60.65 59.55 2nr2 s ILE 13 Cb -0.16 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 2nr2 s ILE 13 CO 0.10 0.55 0.35 -0.89 0.24 0.00 0.00 174.94 175.30 2nr2 s THR 14 N 0.48 5.21 -0.12 8.37 2.01 -1.26 -0.34 115.64 129.99 2nr2 s THR 14 Ca -0.15 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.46 2nr2 s THR 14 Cb -0.17 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.66 2nr2 s THR 14 CO 0.06 0.22 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.22 2nr2 s LEU 15 N 1.60 2.11 -0.18 4.42 1.43 0.19 -4.91 118.68 123.34 2nr2 s LEU 15 Ca 0.16 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 2nr2 s LEU 15 Cb -0.15 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2nr2 s LEU 15 CO 0.08 0.13 1.03 -1.61 0.23 0.00 0.00 176.35 176.21 2nr2 s GLU 16 N 0.51 4.33 0.36 1.70 2.02 -1.26 0.00 118.70 126.36 2nr2 s GLU 16 Ca -0.14 1.37 0.06 0.00 0.02 0.00 0.00 54.97 56.27 2nr2 s GLU 16 Cb -0.17 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.43 2nr2 s GLU 16 CO 0.05 -0.50 0.22 0.14 0.02 0.00 0.00 175.26 175.19 2nr2 s VAL 17 N 2.71 0.20 0.25 2.63 -7.23 0.56 -4.96 120.40 114.55 2nr2 s VAL 17 Ca 0.46 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 2nr2 s VAL 17 Cb -0.16 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2nr2 s VAL 17 CO 0.11 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.19 2nr2 s GLU 18 N -3.56 1.46 0.48 4.82 0.41 -1.26 -0.72 118.70 120.34 2nr2 s GLU 18 Ca 0.34 -1.70 0.29 0.00 -0.41 0.00 0.00 54.97 53.49 2nr2 s GLU 18 Cb 0.02 -1.16 0.95 0.00 -1.78 0.00 0.00 34.13 32.16 2nr2 s GLU 18 CO 0.23 0.11 1.83 -1.35 -0.49 0.00 0.00 175.26 175.58 2nr2 h PRO 19 N 2.40 0.00 -0.48 0.39 0.11 -1.96 -3.01 132.00 129.44 2nr2 h PRO 19 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2nr2 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2nr2 h PRO 19 CO 0.65 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.89 2nr2 n SER 20 N -3.01 2.56 -4.85 -2.05 2.88 -1.26 -1.41 113.62 106.48 2nr2 n SER 20 Ca 0.02 -2.05 -0.33 0.00 -1.33 0.00 0.00 58.87 55.18 2nr2 n SER 20 Cb 0.39 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.96 6.78 0.53 -3.46 1.01 -1.14 -4.89 116.67 114.55 2nr2 s ASP 21 Ca 0.31 1.14 -0.05 0.00 0.71 0.00 0.00 52.55 54.65 2nr2 s ASP 21 Cb 0.17 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.77 2nr2 s ASP 21 CO 0.20 -0.06 0.84 0.42 0.21 0.00 0.00 175.17 176.77 2nr2 s THR 22 N -1.76 4.25 0.39 -1.27 -4.23 -1.26 -2.06 115.64 109.71 2nr2 s THR 22 Ca 0.47 0.08 0.15 0.00 -1.18 0.00 0.00 61.69 61.20 2nr2 s THR 22 Cb -0.12 -3.65 0.13 0.00 1.34 0.00 0.00 72.50 70.20 2nr2 s THR 22 CO 0.19 -0.64 1.88 0.40 -0.54 0.00 0.00 174.62 175.92 2nr2 h ILE 23 N 0.03 1.16 0.05 2.99 1.08 -1.12 -2.50 117.51 119.20 2nr2 h ILE 23 Ca -0.46 -1.06 0.01 0.00 -0.39 0.00 0.00 64.86 62.96 2nr2 h ILE 23 Cb 1.23 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 2nr2 h ILE 23 CO 0.61 0.30 -0.08 -0.08 -0.69 0.00 0.00 178.15 178.20 2nr2 h GLU 24 N 0.00 -0.16 -0.80 2.37 4.81 -1.66 -2.16 114.58 116.97 2nr2 h GLU 24 Ca -0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2nr2 h GLU 24 Cb 0.56 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2nr2 h GLU 24 CO 0.04 -0.11 0.32 -0.97 -0.73 0.00 0.00 179.01 177.56 2nr2 h ASN 25 N -0.17 1.11 -0.21 1.04 -0.73 -1.82 -2.24 115.58 112.56 2nr2 h ASN 25 Ca 0.02 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 57.97 2nr2 h ASN 25 Cb 0.18 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 2nr2 h ASN 25 CO -0.05 0.98 0.02 0.58 -0.37 0.00 0.00 177.43 178.59 2nr2 h VAL 26 N 1.17 1.18 -0.15 2.57 2.07 -1.27 -1.85 116.25 119.97 2nr2 h VAL 26 Ca 0.27 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2nr2 h VAL 26 Cb 0.22 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2nr2 h VAL 26 CO -0.02 0.24 -0.19 0.11 0.02 0.00 0.00 177.57 177.73 2nr2 h LYS 27 N 0.45 0.24 0.00 1.57 1.57 -0.81 -0.94 116.57 118.66 2nr2 h LYS 27 Ca 0.10 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2nr2 h LYS 27 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2nr2 h LYS 27 CO 0.01 0.43 -0.17 0.00 -0.57 0.00 0.00 179.45 179.15 2nr2 h ALA 28 N 1.58 1.05 0.03 3.86 0.00 -0.95 -1.56 119.26 123.28 2nr2 h ALA 28 Ca 0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 2nr2 h ALA 28 Cb 0.47 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2nr2 h ALA 28 CO 0.03 0.21 -0.98 -0.22 0.00 0.00 0.00 179.25 178.30 2nr2 h LYS 29 N 0.00 0.61 -0.49 0.00 3.64 -0.43 -2.15 116.57 117.75 2nr2 h LYS 29 Ca -0.00 -0.69 -0.01 0.00 -1.27 0.00 0.00 60.65 58.68 2nr2 h LYS 29 Cb 0.64 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2nr2 h LYS 29 CO 0.02 1.29 0.27 0.82 -2.27 0.00 0.00 179.45 179.58 2nr2 h ILE 30 N 0.23 1.15 0.39 2.00 2.04 -1.19 -2.24 117.51 119.89 2nr2 h ILE 30 Ca -0.13 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2nr2 h ILE 30 Cb 1.65 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2nr2 h ILE 30 CO 0.19 0.16 -0.19 -0.61 0.00 0.00 0.00 178.15 177.70 2nr2 h GLN 31 N 0.67 -0.51 -0.99 2.37 4.15 -1.20 0.11 115.11 119.71 2nr2 h GLN 31 Ca 0.17 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.80 2nr2 h GLN 31 Cb 0.01 0.12 -0.17 0.00 0.21 0.00 0.00 27.48 27.64 2nr2 h GLN 31 CO -0.03 -0.26 -0.33 -0.44 -1.93 0.00 0.00 178.83 175.84 2nr2 h ASP 32 N -0.67 -1.22 0.12 -0.69 3.32 -1.22 -0.09 116.42 115.96 2nr2 h ASP 32 Ca -0.05 0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2nr2 h ASP 32 Cb 0.48 0.70 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2nr2 h ASP 32 CO 0.09 -0.30 -0.06 0.11 -1.72 0.00 0.00 179.24 177.36 2nr2 h LYS 33 N -0.00 -0.15 0.00 3.56 1.57 -1.16 -3.41 116.57 116.98 2nr2 h LYS 33 Ca 0.40 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2nr2 h LYS 33 Cb 0.65 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2nr2 h LYS 33 CO -1.00 -0.10 -1.97 0.39 -0.57 0.00 0.00 179.45 176.19 2nr2 n GLU 34 N -2.93 0.65 0.00 3.15 -0.58 0.35 -5.00 120.64 116.28 2nr2 n GLU 34 Ca -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2nr2 n GLU 34 Cb 0.06 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2nr2 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nr2 n GLY 35 N 1.40 0.91 3.64 0.62 0.00 -0.05 -5.01 105.19 106.71 2nr2 n GLY 35 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 4.63 0.31 -0.61 1.01 -1.26 -4.91 121.20 118.37 2nr2 s ILE 36 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.07 2nr2 s ILE 36 Cb 0.00 -4.32 -0.11 0.00 0.01 0.00 0.00 42.46 38.04 2nr2 s ILE 36 CO 0.00 -0.33 1.47 -2.84 0.00 0.00 0.00 174.94 173.24 2nr2 s PRO 37 N 3.35 4.20 0.00 2.79 0.02 -1.26 -3.99 135.00 140.11 2nr2 s PRO 37 Ca 0.42 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.93 2nr2 s PRO 37 Cb -0.13 -3.04 0.21 0.00 0.02 0.00 0.00 34.50 31.56 2nr2 s PRO 37 CO 0.12 -0.47 1.11 -0.35 -0.33 0.00 0.00 177.00 177.07 2nr2 n PRO 38 N 1.51 0.02 0.09 5.54 -0.04 -1.26 -0.83 135.00 140.02 2nr2 n PRO 38 Ca 0.04 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2nr2 n PRO 38 Cb 0.39 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.73 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nr2 n ASP 39 N -1.44 0.73 0.01 3.54 8.00 -1.26 -3.68 116.55 122.45 2nr2 n ASP 39 Ca 0.01 0.47 -0.03 0.00 0.71 0.00 0.00 54.79 55.96 2nr2 n ASP 39 Cb 0.05 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 2nr2 n ASP 39 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nr2 n GLN 40 N -2.16 0.63 -2.49 -1.24 7.27 -0.01 -4.91 117.38 114.47 2nr2 n GLN 40 Ca 0.05 0.23 -0.42 0.00 0.07 0.00 0.00 57.00 56.93 2nr2 n GLN 40 Cb 0.42 -1.79 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 2nr2 n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2nr2 s GLN 41 N -2.82 4.43 -0.36 3.69 -0.21 -1.19 -0.49 119.66 122.71 2nr2 s GLN 41 Ca -0.04 1.67 0.01 0.00 0.02 0.00 0.00 55.36 57.02 2nr2 s GLN 41 Cb 0.08 -3.44 0.10 0.00 1.00 0.00 0.00 33.01 30.76 2nr2 s GLN 41 CO 0.82 -0.29 0.11 0.50 -2.12 0.00 0.00 175.29 174.31 2nr2 s ARG 42 N 1.45 1.77 -0.18 2.91 3.52 -0.18 -4.87 118.95 123.38 2nr2 s ARG 42 Ca 0.56 -1.81 -0.19 0.00 -0.13 0.00 0.00 55.73 54.17 2nr2 s ARG 42 Cb -0.26 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2nr2 s ARG 42 CO 0.26 -0.97 0.53 -0.51 -0.81 0.00 0.00 175.30 173.81 2nr2 s LEU 43 N 1.03 4.18 -0.09 -0.88 1.43 -1.26 -1.03 118.68 122.05 2nr2 s LEU 43 Ca 0.08 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 2nr2 s LEU 43 Cb -0.21 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 2nr2 s LEU 43 CO -0.06 -0.15 -0.23 -0.63 0.23 0.00 0.00 176.35 175.51 2nr2 s ILE 44 N 1.42 1.98 0.00 -0.59 -1.09 -0.60 -1.06 121.20 121.26 2nr2 s ILE 44 Ca 0.26 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2nr2 s ILE 44 Cb -0.15 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2nr2 s ILE 44 CO 0.10 0.54 0.00 0.33 -1.23 0.00 0.00 174.94 174.69 2nr2 n PHE 45 N 3.44 0.00 0.00 3.97 7.35 -1.21 -0.59 117.46 130.42 2nr2 n PHE 45 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2nr2 n PHE 45 Cb 0.53 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.18 2nr2 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nr2 n ALA 46 N -1.35 1.12 -0.01 3.13 0.00 -1.26 -4.53 120.51 117.61 2nr2 n ALA 46 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 2nr2 n ALA 46 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 3.07 -0.16 3.77 0.00 0.00 -1.26 -5.03 105.19 105.58 2nr2 n GLY 47 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.16 4.53 0.36 1.61 -0.14 -1.26 -5.08 119.74 117.60 2nr2 s LYS 48 Ca -0.01 1.12 -0.27 0.00 -1.36 0.00 0.00 55.97 55.44 2nr2 s LYS 48 Cb 0.02 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.78 2nr2 s LYS 48 CO 0.14 0.47 1.17 -1.14 -0.76 0.00 0.00 175.35 175.23 2nr2 s GLN 49 N -0.76 4.27 0.08 1.68 0.74 -1.26 -3.34 119.66 121.06 2nr2 s GLN 49 Ca 0.37 1.89 -0.16 0.00 0.05 0.00 0.00 55.36 57.50 2nr2 s GLN 49 Cb -0.22 -2.87 -0.06 0.00 1.10 0.00 0.00 33.01 30.95 2nr2 s GLN 49 CO 0.25 -0.15 0.51 -0.51 -0.55 0.00 0.00 175.29 174.84 2nr2 s LEU 50 N -2.10 4.44 0.11 3.68 1.43 -0.22 -4.96 118.68 121.05 2nr2 s LEU 50 Ca 0.52 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 2nr2 s LEU 50 Cb -0.32 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.90 2nr2 s LEU 50 CO 0.41 0.23 0.46 -1.61 0.23 0.00 0.00 176.35 176.07 2nr2 s GLU 51 N -1.42 3.84 0.04 1.70 2.02 -1.26 -4.79 118.70 118.84 2nr2 s GLU 51 Ca 0.31 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 55.35 2nr2 s GLU 51 Cb -0.17 -2.97 -0.13 0.00 0.10 0.00 0.00 34.13 30.96 2nr2 s GLU 51 CO 0.17 0.53 1.33 -0.44 0.02 0.00 0.00 175.26 176.87 2nr2 h ASP 52 N 3.65 -0.74 -0.07 -0.19 5.19 -1.97 -2.92 116.42 119.37 2nr2 h ASP 52 Ca -0.49 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 2nr2 h ASP 52 Cb 1.19 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 2nr2 h ASP 52 CO 0.66 -0.52 0.06 0.61 -3.12 0.00 0.00 179.24 176.93 2nr2 n GLY 53 N -1.33 2.70 3.58 2.75 0.00 -1.26 -1.95 105.19 109.68 2nr2 n GLY 53 Ca -0.11 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.27 2.06 0.47 1.61 0.52 -1.10 -4.99 118.95 117.25 2nr2 s ARG 54 Ca 0.05 -1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 53.63 2nr2 s ARG 54 Cb 0.04 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 2nr2 s ARG 54 CO -0.00 0.36 0.85 0.95 0.02 0.00 0.00 175.30 177.48 2nr2 s THR 55 N -2.32 4.75 0.29 0.02 -4.23 -1.26 -1.56 115.64 111.33 2nr2 s THR 55 Ca 0.30 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 61.71 2nr2 s THR 55 Cb -0.06 -3.78 0.20 0.00 1.34 0.00 0.00 72.50 70.21 2nr2 s THR 55 CO 0.18 -0.70 1.89 -0.07 -0.54 0.00 0.00 174.62 175.38 2nr2 h LEU 56 N 0.78 0.00 -1.11 4.79 3.38 -1.23 -2.91 115.31 119.00 2nr2 h LEU 56 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 2nr2 h LEU 56 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2nr2 h LEU 56 CO 0.63 0.25 -0.25 -1.28 0.09 0.00 0.00 178.44 177.88 2nr2 h SER 57 N 0.00 0.32 -0.19 -0.43 0.87 -1.53 -1.35 113.55 111.24 2nr2 h SER 57 Ca -0.00 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 2nr2 h SER 57 Cb 0.62 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2nr2 h SER 57 CO 0.03 0.57 -0.02 -0.78 -0.53 0.00 0.00 176.83 176.10 2nr2 h ASP 58 N 0.29 0.45 0.17 6.23 3.58 -1.80 -2.92 116.42 122.42 2nr2 h ASP 58 Ca 0.05 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2nr2 h ASP 58 Cb 0.60 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2nr2 h ASP 58 CO 0.04 0.53 -0.16 -1.22 -2.88 0.00 0.00 179.24 175.55 2nr2 n TYR 59 N -4.28 0.00 -3.65 0.28 4.01 -0.96 -4.94 117.16 107.63 2nr2 n TYR 59 Ca 0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 2nr2 n TYR 59 Cb 0.25 -0.09 0.04 0.00 -0.31 0.00 0.00 39.34 39.23 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 -0.45 -1.31 -4.70 7.72 4.13 -0.61 -4.97 115.26 115.08 2nr2 n ASN 60 Ca 0.15 -0.78 -0.42 0.00 1.68 0.00 0.00 54.58 55.20 2nr2 n ASN 60 Cb 0.34 -4.27 -0.03 0.00 -1.54 0.00 0.00 39.78 34.29 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2nr2 s ILE 61 N -3.61 4.55 0.51 2.41 1.01 -0.62 -5.01 121.20 120.44 2nr2 s ILE 61 Ca 0.00 1.83 0.08 0.00 0.00 0.00 0.00 60.65 62.57 2nr2 s ILE 61 Cb -0.00 -4.18 0.05 0.00 0.01 0.00 0.00 42.46 38.34 2nr2 s ILE 61 CO 0.80 0.05 0.62 -1.10 0.00 0.00 0.00 174.94 175.31 2nr2 s GLN 62 N 1.72 2.46 0.00 2.79 -1.52 -1.26 -4.77 119.66 119.08 2nr2 s GLN 62 Ca 0.53 -1.59 0.19 0.00 -1.95 0.00 0.00 55.36 52.54 2nr2 s GLN 62 Cb -0.22 -2.55 0.85 0.00 -0.22 0.00 0.00 33.01 30.86 2nr2 s GLN 62 CO 0.23 -0.59 1.61 0.36 -0.25 0.00 0.00 175.29 176.64 2nr2 n LYS 63 N -1.98 0.07 -0.19 2.91 2.85 -1.26 -2.11 118.16 118.45 2nr2 n LYS 63 Ca 0.10 0.16 0.08 0.00 -1.05 0.00 0.00 58.31 57.59 2nr2 n LYS 63 Cb 0.61 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.67 2nr2 n LYS 63 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2nr2 n GLU 64 N -1.45 2.41 -3.03 -1.58 0.28 -1.26 -4.54 120.64 111.48 2nr2 n GLU 64 Ca 0.06 -2.07 -0.36 0.00 -0.16 0.00 0.00 57.16 54.63 2nr2 n GLU 64 Cb 0.20 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.65 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 -1.08 7.11 -0.23 -1.84 0.01 -0.90 -4.97 113.70 111.80 2nr2 s SER 65 Ca 0.29 1.51 -0.05 0.00 1.31 0.00 0.00 55.95 59.01 2nr2 s SER 65 Cb 0.16 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2nr2 s SER 65 CO 0.22 -0.00 -0.01 -0.89 0.41 0.00 0.00 173.24 172.96 2nr2 s THR 66 N -1.57 3.63 0.23 1.44 2.01 -1.26 -2.31 115.64 117.81 2nr2 s THR 66 Ca 0.45 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2nr2 s THR 66 Cb -0.17 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2nr2 s THR 66 CO 0.21 0.40 0.21 -0.76 -0.69 0.00 0.00 174.62 173.99 2nr2 s LEU 67 N 1.51 3.90 -0.14 4.42 1.02 0.14 -4.81 118.68 124.72 2nr2 s LEU 67 Ca 0.06 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.07 2nr2 s LEU 67 Cb -0.14 -2.45 0.01 0.00 0.02 0.00 0.00 46.19 43.62 2nr2 s LEU 67 CO -0.01 -0.02 -0.21 -1.00 0.02 0.00 0.00 176.35 175.13 2nr2 s HIS 68 N -2.02 2.54 -0.49 0.29 3.76 0.24 -0.73 115.29 118.88 2nr2 s HIS 68 Ca 0.33 -1.28 -0.10 0.00 -0.15 0.00 0.00 55.06 53.86 2nr2 s HIS 68 Cb -0.09 -1.74 0.12 0.00 1.11 0.00 0.00 32.58 31.99 2nr2 s HIS 68 CO 0.25 -0.59 0.38 -1.17 -0.85 0.00 0.00 174.74 172.76 2nr2 s LEU 69 N 0.87 5.79 0.29 0.89 2.96 0.21 -1.55 118.68 128.14 2nr2 s LEU 69 Ca -0.06 -1.92 -0.09 0.00 -0.22 0.00 0.00 54.13 51.83 2nr2 s LEU 69 Cb -0.15 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 2nr2 s LEU 69 CO -0.02 -0.72 0.61 -0.69 -1.32 0.00 0.00 176.35 174.21 2nr2 s VAL 70 N 1.36 4.90 -0.17 1.68 1.01 -0.20 -4.32 120.40 124.66 2nr2 s VAL 70 Ca 0.06 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 2nr2 s VAL 70 Cb -0.27 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2nr2 s VAL 70 CO -0.00 -0.23 -0.03 -0.76 0.00 0.00 0.00 175.10 174.07 2nr2 s LEU 71 N -3.21 3.20 -0.22 3.92 1.43 -1.26 -1.01 118.68 121.53 2nr2 s LEU 71 Ca 0.48 -0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 2nr2 s LEU 71 Cb -0.11 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2nr2 s LEU 71 CO 0.25 0.13 0.83 -0.60 0.23 0.00 0.00 176.35 177.18 2nr2 s ARG 72 N 0.59 4.22 0.44 1.70 3.52 0.36 -4.94 118.95 124.83 2nr2 s ARG 72 Ca -0.02 0.96 -0.25 0.00 -0.13 0.00 0.00 55.73 56.29 2nr2 s ARG 72 Cb -0.14 -3.62 -0.08 0.00 -1.56 0.00 0.00 34.95 29.55 2nr2 s ARG 72 CO 0.02 -0.46 1.26 -0.51 -0.81 0.00 0.00 175.30 174.81 2nr2 s LEU 73 N 2.62 4.11 -0.43 -0.88 1.43 -1.26 -4.71 118.68 119.56 2nr2 s LEU 73 Ca 0.36 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 2nr2 s LEU 73 Cb -0.16 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.03 2nr2 s LEU 73 CO 0.09 -0.95 1.34 -0.60 0.23 0.00 0.00 176.35 176.46 2nr2 s ARG 74 N -2.45 3.61 0.00 1.70 3.52 -1.26 -3.88 118.95 120.19 2nr2 s ARG 74 Ca 0.61 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.05 2nr2 s ARG 74 Cb -0.35 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.04 2nr2 s ARG 74 CO 0.44 -1.52 0.00 0.41 -0.81 0.00 0.00 175.30 173.82 2nr2 n GLY 75 N 5.02 0.01 0.00 8.12 0.00 -1.26 -5.28 105.19 111.79 2nr2 n GLY 75 Ca 0.15 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93