#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 3.43 0.18 2.12 0.74 -1.26 -1.54 119.66 123.33 2nr2 s GLN 2 Ca 0.00 -0.63 0.10 0.00 0.05 0.00 0.00 55.36 54.89 2nr2 s GLN 2 Cb 0.00 -3.84 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2nr2 s GLN 2 CO 0.00 -0.53 -0.19 0.96 -0.55 0.00 0.00 175.29 174.99 2nr2 s ILE 3 N 1.83 2.67 -0.24 -2.34 -4.36 -0.73 -4.36 121.20 113.67 2nr2 s ILE 3 Ca 0.08 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 2nr2 s ILE 3 Cb -0.17 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.29 2nr2 s ILE 3 CO 0.11 -0.10 -0.12 -0.36 0.24 0.00 0.00 174.94 174.71 2nr2 s PHE 4 N -1.64 3.10 -0.25 1.37 0.08 -0.85 0.11 117.98 119.91 2nr2 s PHE 4 Ca 0.22 -1.99 -0.08 0.00 0.12 0.00 0.00 56.93 55.20 2nr2 s PHE 4 Cb -0.08 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2nr2 s PHE 4 CO 0.12 -0.83 0.10 0.08 -0.10 0.00 0.00 175.22 174.58 2nr2 s VAL 5 N 1.20 4.63 -0.15 -0.44 1.01 0.64 -0.77 120.40 126.52 2nr2 s VAL 5 Ca -0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2nr2 s VAL 5 Cb -0.18 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2nr2 s VAL 5 CO -0.07 0.33 0.15 -0.54 0.00 0.00 0.00 175.10 174.98 2nr2 s LYS 6 N 1.47 3.78 0.49 2.72 1.02 -0.72 0.52 119.74 129.02 2nr2 s LYS 6 Ca 0.06 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.92 2nr2 s LYS 6 Cb -0.15 -3.29 0.10 0.00 -0.52 0.00 0.00 37.83 33.97 2nr2 s LYS 6 CO 0.05 0.57 0.68 0.25 -0.92 0.00 0.00 175.35 175.98 2nr2 n THR 7 N 2.63 0.00 0.84 2.17 -2.24 -1.11 -1.17 114.28 115.40 2nr2 n THR 7 Ca -0.18 -1.08 0.11 0.00 -2.27 0.00 0.00 64.05 60.63 2nr2 n THR 7 Cb 0.54 -1.04 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 2nr2 n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nr2 n LEU 8 N 0.00 0.70 -0.01 3.22 4.77 -1.26 -4.42 117.00 119.99 2nr2 n LEU 8 Ca 0.11 -0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.72 2nr2 n LEU 8 Cb 0.40 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 2nr2 n LEU 8 CO 0.27 0.14 -0.07 0.71 -1.33 0.00 0.00 177.39 177.12 2nr2 h THR 9 N 0.00 1.38 0.00 -5.08 1.35 -1.95 -3.48 112.91 105.12 2nr2 h THR 9 Ca 0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2nr2 h THR 9 Cb 0.59 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 2nr2 h THR 9 CO 0.00 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2nr2 n GLY 10 N 1.64 0.09 3.70 5.82 0.00 -1.26 -5.14 105.19 110.04 2nr2 n GLY 10 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 4.39 -0.34 1.61 2.20 -1.26 -4.90 119.74 121.44 2nr2 s LYS 11 Ca 0.00 0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 56.27 2nr2 s LYS 11 Cb 0.00 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2nr2 s LYS 11 CO 0.00 -0.03 0.55 0.99 -0.36 0.00 0.00 175.35 176.51 2nr2 s THR 12 N 1.12 4.98 -0.31 3.43 2.01 -1.26 -2.73 115.64 122.88 2nr2 s THR 12 Ca 0.36 0.51 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 2nr2 s THR 12 Cb -0.17 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 2nr2 s THR 12 CO 0.16 -0.20 0.26 -0.63 -0.69 0.00 0.00 174.62 173.52 2nr2 s ILE 13 N 2.48 5.26 -0.23 1.82 1.01 0.19 -4.92 121.20 126.81 2nr2 s ILE 13 Ca 0.21 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 2nr2 s ILE 13 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2nr2 s ILE 13 CO 0.13 0.07 0.25 -0.89 0.00 0.00 0.00 174.94 174.50 2nr2 s THR 14 N 1.82 5.30 -0.04 2.92 2.01 -1.26 -0.26 115.64 126.12 2nr2 s THR 14 Ca 0.08 0.36 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2nr2 s THR 14 Cb -0.17 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2nr2 s THR 14 CO 0.11 0.30 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.34 2nr2 s LEU 15 N 1.25 2.17 -0.48 4.42 1.43 0.12 -4.99 118.68 122.61 2nr2 s LEU 15 Ca 0.11 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2nr2 s LEU 15 Cb -0.14 -1.39 0.10 0.00 0.03 0.00 0.00 46.19 44.79 2nr2 s LEU 15 CO 0.06 0.30 0.38 -1.61 0.23 0.00 0.00 176.35 175.71 2nr2 s GLU 16 N -0.47 2.76 0.42 1.70 2.02 -1.26 -1.77 118.70 122.10 2nr2 s GLU 16 Ca 0.06 -1.58 0.07 0.00 0.02 0.00 0.00 54.97 53.53 2nr2 s GLU 16 Cb -0.11 -4.04 -0.05 0.00 0.10 0.00 0.00 34.13 30.03 2nr2 s GLU 16 CO 0.01 -1.13 0.16 0.14 0.02 0.00 0.00 175.26 174.46 2nr2 s VAL 17 N 1.50 2.18 0.24 2.63 -7.23 -0.59 -4.89 120.40 114.24 2nr2 s VAL 17 Ca 0.04 -1.74 0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2nr2 s VAL 17 Cb -0.26 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2nr2 s VAL 17 CO 0.03 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.04 2nr2 s GLU 18 N -3.90 1.78 0.62 4.82 0.41 -1.26 0.28 118.70 121.45 2nr2 s GLU 18 Ca 0.38 -1.57 0.40 0.00 -0.41 0.00 0.00 54.97 53.77 2nr2 s GLU 18 Cb 0.04 -1.91 2.07 0.00 -1.78 0.00 0.00 34.13 32.56 2nr2 s GLU 18 CO 0.21 0.37 2.26 -1.35 -0.49 0.00 0.00 175.26 176.26 2nr2 h PRO 19 N 2.58 0.00 -0.00 0.39 0.11 -1.97 -1.49 132.00 131.62 2nr2 h PRO 19 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2nr2 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nr2 h PRO 19 CO 0.56 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.79 2nr2 n SER 20 N -3.19 0.14 -4.92 -2.05 7.64 -1.26 -1.04 113.62 108.94 2nr2 n SER 20 Ca -0.02 -1.13 -0.26 0.00 1.01 0.00 0.00 58.87 58.46 2nr2 n SER 20 Cb 0.14 -0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.36 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2nr2 s ASP 21 N -1.91 5.74 0.63 6.43 1.01 -0.56 -4.94 116.67 123.08 2nr2 s ASP 21 Ca 0.43 0.69 -0.01 0.00 0.71 0.00 0.00 52.55 54.37 2nr2 s ASP 21 Cb 0.20 -1.77 0.08 0.00 1.01 0.00 0.00 42.92 42.44 2nr2 s ASP 21 CO 0.33 -0.93 0.56 0.35 0.21 0.00 0.00 175.17 175.70 2nr2 n THR 22 N -2.46 0.00 0.09 -1.27 -2.24 -1.26 -3.40 114.28 103.74 2nr2 n THR 22 Ca 0.03 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 2nr2 n THR 22 Cb 0.57 -1.20 -0.14 0.00 -2.10 0.00 0.00 70.33 67.46 2nr2 n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2nr2 h ILE 23 N -0.62 1.25 -0.68 2.28 1.08 -0.75 -2.30 117.51 117.76 2nr2 h ILE 23 Ca -0.19 -2.84 0.13 0.00 -0.39 0.00 0.00 64.86 61.58 2nr2 h ILE 23 Cb 0.66 2.85 -0.10 0.00 -3.07 0.00 0.00 36.82 37.16 2nr2 h ILE 23 CO 0.19 0.84 0.19 -0.08 -0.69 0.00 0.00 178.15 178.60 2nr2 h GLU 24 N 0.08 0.30 -0.64 2.37 4.81 -1.44 -1.65 114.58 118.42 2nr2 h GLU 24 Ca -0.22 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 2nr2 h GLU 24 Cb 2.03 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 31.32 2nr2 h GLU 24 CO 0.19 0.20 0.15 -0.91 -0.73 0.00 0.00 179.01 177.92 2nr2 h ASN 25 N 0.31 0.96 -0.23 1.04 -0.26 -1.82 0.29 115.58 115.87 2nr2 h ASN 25 Ca 0.37 -0.19 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 2nr2 h ASN 25 Cb 0.58 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2nr2 h ASN 25 CO -0.43 0.92 0.12 0.58 -1.06 0.00 0.00 177.43 177.56 2nr2 h VAL 26 N 0.97 1.01 -0.59 2.81 2.07 -0.74 -0.68 116.25 121.10 2nr2 h VAL 26 Ca 0.21 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 2nr2 h VAL 26 Cb 0.34 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2nr2 h VAL 26 CO 0.00 0.05 0.14 0.11 0.02 0.00 0.00 177.57 177.89 2nr2 h LYS 27 N 0.26 0.95 -0.21 1.57 1.57 -1.22 -2.66 116.57 116.83 2nr2 h LYS 27 Ca 0.09 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2nr2 h LYS 27 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2nr2 h LYS 27 CO -0.05 0.88 0.03 0.00 -0.57 0.00 0.00 179.45 179.73 2nr2 h ALA 28 N 1.03 1.66 0.02 3.86 0.00 -0.13 -1.05 119.26 124.66 2nr2 h ALA 28 Ca 0.19 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 2nr2 h ALA 28 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nr2 h ALA 28 CO 0.00 0.26 -1.01 -0.22 0.00 0.00 0.00 179.25 178.28 2nr2 h LYS 29 N 0.30 0.45 -0.03 0.00 3.64 -1.01 -2.72 116.57 117.19 2nr2 h LYS 29 Ca 0.07 -0.52 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 2nr2 h LYS 29 Cb 0.16 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2nr2 h LYS 29 CO 0.00 1.17 -0.60 0.82 -2.27 0.00 0.00 179.45 178.57 2nr2 h ILE 30 N 0.24 1.41 0.86 2.00 2.04 -1.27 0.69 117.51 123.48 2nr2 h ILE 30 Ca -0.10 -2.01 -0.04 0.00 1.00 0.00 0.00 64.86 63.71 2nr2 h ILE 30 Cb 1.66 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2nr2 h ILE 30 CO 0.18 0.58 -0.45 -0.61 0.00 0.00 0.00 178.15 177.85 2nr2 h GLN 31 N 0.08 -1.16 -0.36 2.37 4.15 -1.26 0.30 115.11 119.23 2nr2 h GLN 31 Ca -0.01 0.08 0.08 0.00 0.77 0.00 0.00 58.65 59.57 2nr2 h GLN 31 Cb 1.08 0.26 -0.08 0.00 0.21 0.00 0.00 27.48 28.95 2nr2 h GLN 31 CO 0.08 -0.77 -0.23 0.22 -1.93 0.00 0.00 178.83 176.21 2nr2 h ASP 32 N -1.20 -0.76 -0.14 -0.69 3.58 -1.25 -3.30 116.42 112.66 2nr2 h ASP 32 Ca -0.12 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2nr2 h ASP 32 Cb 0.94 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2nr2 h ASP 32 CO 0.17 -0.26 0.07 0.50 -2.88 0.00 0.00 179.24 176.85 2nr2 h LYS 33 N -0.17 0.19 0.00 0.28 1.63 -0.47 -3.40 116.57 114.63 2nr2 h LYS 33 Ca 0.18 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.82 2nr2 h LYS 33 Cb 0.45 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 2nr2 h LYS 33 CO -0.47 0.21 -1.33 -1.91 -3.45 0.00 0.00 179.45 172.50 2nr2 n GLU 34 N -4.94 0.21 0.00 1.90 4.07 0.10 -5.05 120.64 116.94 2nr2 n GLU 34 Ca -0.05 0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2nr2 n GLU 34 Cb 0.07 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 2nr2 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nr2 n GLY 35 N 2.43 0.74 3.15 8.31 0.00 -1.21 -5.07 105.19 113.54 2nr2 n GLY 35 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.08 2.43 0.76 -0.61 1.01 -1.26 -5.04 121.20 117.41 2nr2 s ILE 36 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2nr2 s ILE 36 Cb 0.00 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.35 2nr2 s ILE 36 CO 0.00 0.32 1.23 -2.65 0.00 0.00 0.00 174.94 173.85 2nr2 n PRO 37 N 4.61 0.48 0.20 2.79 -0.02 -1.26 -3.75 135.00 138.05 2nr2 n PRO 37 Ca -0.18 0.24 0.14 0.00 -2.02 0.00 0.00 63.50 61.68 2nr2 n PRO 37 Cb 0.48 -2.47 0.50 0.00 -0.02 0.00 0.00 33.50 31.98 2nr2 n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2nr2 h PRO 38 N -0.45 0.00 0.00 0.52 0.13 -1.93 -1.77 132.00 128.50 2nr2 h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2nr2 h PRO 38 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2nr2 h PRO 38 CO 0.48 0.00 -0.35 0.38 -0.23 0.00 0.00 178.00 178.28 2nr2 h ASP 39 N 0.00 0.00 0.17 1.44 2.03 -1.96 -3.25 116.42 114.85 2nr2 h ASP 39 Ca 0.00 -0.07 -0.16 0.00 -0.73 0.00 0.00 57.03 56.07 2nr2 h ASP 39 Cb 0.59 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.06 2nr2 h ASP 39 CO 0.00 0.04 -1.99 1.67 -1.03 0.00 0.00 179.24 177.93 2nr2 n GLN 40 N -2.43 0.66 -3.08 4.15 7.27 -0.69 -4.91 117.38 118.35 2nr2 n GLN 40 Ca 0.04 -0.05 -0.40 0.00 0.07 0.00 0.00 57.00 56.66 2nr2 n GLN 40 Cb 0.47 -1.58 -0.05 0.00 2.41 0.00 0.00 30.24 31.48 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 -3.05 4.27 -0.19 3.69 -0.21 -1.03 -2.51 119.66 120.62 2nr2 s GLN 41 Ca -0.07 0.72 -0.04 0.00 0.02 0.00 0.00 55.36 55.99 2nr2 s GLN 41 Cb 0.10 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2nr2 s GLN 41 CO 0.86 -0.18 -0.03 0.50 -2.12 0.00 0.00 175.29 174.32 2nr2 s ARG 42 N 1.68 3.53 -0.30 2.91 3.52 -0.47 -4.97 118.95 124.87 2nr2 s ARG 42 Ca 0.32 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 55.28 2nr2 s ARG 42 Cb -0.16 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2nr2 s ARG 42 CO 0.12 0.00 0.09 -0.51 -0.81 0.00 0.00 175.30 174.19 2nr2 s LEU 43 N 0.99 3.89 -0.19 -0.88 1.43 -1.26 -0.59 118.68 122.07 2nr2 s LEU 43 Ca 0.01 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 2nr2 s LEU 43 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2nr2 s LEU 43 CO 0.01 -0.19 0.51 -0.63 0.23 0.00 0.00 176.35 176.27 2nr2 s ILE 44 N 1.51 5.12 -0.29 -0.59 -1.09 0.20 -2.60 121.20 123.46 2nr2 s ILE 44 Ca 0.03 0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 59.36 2nr2 s ILE 44 Cb -0.17 -3.83 0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2nr2 s ILE 44 CO 0.03 0.20 -0.00 0.12 -1.23 0.00 0.00 174.94 174.06 2nr2 s PHE 45 N 1.50 3.22 0.00 3.97 5.36 -0.67 -1.29 117.98 130.07 2nr2 s PHE 45 Ca 0.24 -1.73 0.00 0.00 -0.96 0.00 0.00 56.93 54.48 2nr2 s PHE 45 Cb -0.15 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2nr2 s PHE 45 CO 0.10 -0.77 0.00 0.00 -1.46 0.00 0.00 175.22 173.08 2nr2 n ALA 46 N 4.66 0.00 0.00 11.12 0.00 -1.26 -2.23 120.51 132.80 2nr2 n ALA 46 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nr2 n ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.29 3.82 0.00 0.00 -1.26 -5.13 105.19 102.33 2nr2 n GLY 47 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.77 3.27 -0.13 1.61 1.02 -0.95 -5.06 119.74 117.74 2nr2 s LYS 48 Ca 0.00 1.08 -0.05 0.00 0.02 0.00 0.00 55.97 57.02 2nr2 s LYS 48 Cb 0.00 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2nr2 s LYS 48 CO 0.00 -0.84 0.04 1.14 -0.92 0.00 0.00 175.35 174.78 2nr2 s GLN 49 N -4.43 3.48 0.02 1.68 -2.07 -1.26 -1.67 119.66 115.41 2nr2 s GLN 49 Ca 0.61 -0.35 -0.09 0.00 -1.82 0.00 0.00 55.36 53.71 2nr2 s GLN 49 Cb -0.14 -3.02 -0.05 0.00 -1.09 0.00 0.00 33.01 28.70 2nr2 s GLN 49 CO 0.43 0.52 0.32 -0.51 -1.32 0.00 0.00 175.29 174.73 2nr2 s LEU 50 N -0.35 4.38 0.31 2.60 1.43 -1.07 -4.99 118.68 120.99 2nr2 s LEU 50 Ca 0.08 0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 2nr2 s LEU 50 Cb -0.12 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.31 2nr2 s LEU 50 CO 0.02 0.26 0.81 -1.61 0.23 0.00 0.00 176.35 176.05 2nr2 s GLU 51 N -1.63 4.22 0.04 1.70 2.02 -1.26 -4.78 118.70 119.01 2nr2 s GLU 51 Ca 0.27 0.93 -0.23 0.00 0.02 0.00 0.00 54.97 55.96 2nr2 s GLU 51 Cb -0.14 -2.58 -0.13 0.00 0.10 0.00 0.00 34.13 31.39 2nr2 s GLU 51 CO 0.15 0.21 1.35 -0.44 0.02 0.00 0.00 175.26 176.55 2nr2 h ASP 52 N 2.68 -0.73 -0.19 -0.19 5.19 -1.97 -2.68 116.42 118.53 2nr2 h ASP 52 Ca -0.48 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 55.84 2nr2 h ASP 52 Cb 1.18 0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.83 2nr2 h ASP 52 CO 0.64 -0.50 0.15 0.61 -3.12 0.00 0.00 179.24 177.02 2nr2 n GLY 53 N -1.41 2.92 3.86 2.75 0.00 -1.26 -1.21 105.19 110.84 2nr2 n GLY 53 Ca -0.10 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.70 3.17 0.80 1.61 1.81 -1.01 -4.98 118.95 119.65 2nr2 s ARG 54 Ca 0.12 -0.65 -0.10 0.00 -1.72 0.00 0.00 55.73 53.39 2nr2 s ARG 54 Cb 0.10 -2.85 0.11 0.00 -0.45 0.00 0.00 34.95 31.86 2nr2 s ARG 54 CO 0.01 0.55 1.13 0.95 -0.68 0.00 0.00 175.30 177.25 2nr2 s THR 55 N -1.59 2.12 0.14 0.02 -4.23 -1.26 -1.87 115.64 108.97 2nr2 s THR 55 Ca 0.32 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 2nr2 s THR 55 Cb -0.12 -2.94 -0.12 0.00 1.34 0.00 0.00 72.50 70.67 2nr2 s THR 55 CO 0.25 0.00 1.38 -0.07 -0.54 0.00 0.00 174.62 175.65 2nr2 h LEU 56 N -0.98 0.80 -2.41 4.79 -0.00 -1.33 -2.82 115.31 113.36 2nr2 h LEU 56 Ca -0.44 -0.49 -0.00 0.00 -0.00 0.00 0.00 57.88 56.95 2nr2 h LEU 56 Cb 1.29 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.71 2nr2 h LEU 56 CO 0.52 1.27 -0.02 0.77 -0.00 0.00 0.00 178.44 180.98 2nr2 h SER 57 N 0.49 0.00 -0.71 -0.43 4.64 -1.41 -0.63 113.55 115.50 2nr2 h SER 57 Ca -0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2nr2 h SER 57 Cb 1.29 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.35 2nr2 h SER 57 CO 0.14 0.02 0.35 -0.78 -0.87 0.00 0.00 176.83 175.69 2nr2 h ASP 58 N 0.00 0.95 -1.70 4.97 1.82 -1.77 -3.45 116.42 117.23 2nr2 h ASP 58 Ca -0.00 -0.11 -0.43 0.00 -0.39 0.00 0.00 57.03 56.10 2nr2 h ASP 58 Cb 0.06 -0.24 0.03 0.00 0.68 0.00 0.00 39.33 39.86 2nr2 h ASP 58 CO 0.00 0.80 -0.17 -0.31 -1.61 0.00 0.00 179.24 177.96 2nr2 s TYR 59 N -5.59 2.64 -0.35 0.28 2.02 -0.24 -5.00 117.35 111.11 2nr2 s TYR 59 Ca -0.11 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 2nr2 s TYR 59 Cb 0.16 -2.49 0.16 0.00 -0.40 0.00 0.00 41.96 39.39 2nr2 s TYR 59 CO 0.81 -0.67 2.28 0.09 -1.57 0.00 0.00 175.55 176.50 2nr2 n ASN 60 N -2.06 6.45 -4.69 2.29 4.13 -1.26 -4.94 115.26 115.19 2nr2 n ASN 60 Ca 0.09 -3.10 -0.42 0.00 1.68 0.00 0.00 54.58 52.83 2nr2 n ASN 60 Cb 0.59 -1.12 -0.03 0.00 -1.54 0.00 0.00 39.78 37.69 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 -2.21 3.83 0.78 2.41 -1.09 -1.26 -5.04 121.20 118.61 2nr2 s ILE 61 Ca 0.40 1.18 -0.08 0.00 -2.23 0.00 0.00 60.65 59.93 2nr2 s ILE 61 Cb 0.29 -3.76 0.11 0.00 -1.58 0.00 0.00 42.46 37.52 2nr2 s ILE 61 CO -0.07 -0.01 1.09 -1.10 -1.23 0.00 0.00 174.94 173.63 2nr2 s GLN 62 N 2.48 1.67 0.08 2.79 -1.52 -1.26 -4.99 119.66 118.92 2nr2 s GLN 62 Ca 0.62 -0.47 -0.22 0.00 -1.95 0.00 0.00 55.36 53.34 2nr2 s GLN 62 Cb -0.30 -2.12 -0.12 0.00 -0.22 0.00 0.00 33.01 30.25 2nr2 s GLN 62 CO 0.25 -1.60 1.64 0.87 -0.25 0.00 0.00 175.29 176.21 2nr2 h LYS 63 N -0.87 0.14 -2.49 2.91 1.57 -1.96 -3.23 116.57 112.65 2nr2 h LYS 63 Ca -0.43 -0.02 -0.79 0.00 -1.87 0.00 0.00 60.65 57.54 2nr2 h LYS 63 Cb 1.28 -0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.28 2nr2 h LYS 63 CO 0.50 0.22 0.78 -0.85 -0.57 0.00 0.00 179.45 179.53 2nr2 n GLU 64 N -4.94 4.85 -3.18 3.15 -0.00 -1.26 -4.18 120.64 115.07 2nr2 n GLU 64 Ca -0.06 -4.64 -0.38 0.00 -0.00 0.00 0.00 57.16 52.08 2nr2 n GLU 64 Cb 0.09 -2.46 -0.06 0.00 -0.00 0.00 0.00 31.44 29.01 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2nr2 s SER 65 N -1.70 7.11 -0.25 -1.84 0.01 -1.22 -4.99 113.70 110.82 2nr2 s SER 65 Ca 0.37 1.36 -0.09 0.00 1.31 0.00 0.00 55.95 58.90 2nr2 s SER 65 Cb 0.14 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2nr2 s SER 65 CO -0.04 0.18 0.14 -0.89 0.41 0.00 0.00 173.24 173.04 2nr2 s THR 66 N -1.26 5.00 0.18 1.44 2.01 -1.26 -2.01 115.64 119.75 2nr2 s THR 66 Ca 0.35 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.49 2nr2 s THR 66 Cb -0.19 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2nr2 s THR 66 CO 0.21 0.32 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.65 2nr2 s LEU 67 N 1.38 3.12 -0.16 4.42 1.02 0.05 -4.83 118.68 123.69 2nr2 s LEU 67 Ca 0.06 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2nr2 s LEU 67 Cb -0.15 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.31 2nr2 s LEU 67 CO 0.06 0.09 -0.10 -1.00 0.02 0.00 0.00 176.35 175.43 2nr2 s HIS 68 N -1.74 2.03 -0.34 0.29 3.76 -0.41 -1.76 115.29 117.13 2nr2 s HIS 68 Ca 0.26 -1.23 -0.24 0.00 -0.15 0.00 0.00 55.06 53.70 2nr2 s HIS 68 Cb -0.09 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.12 2nr2 s HIS 68 CO 0.17 -0.66 0.81 -1.17 -0.85 0.00 0.00 174.74 173.05 2nr2 s LEU 69 N 1.53 4.09 0.20 0.89 0.20 -0.31 0.61 118.68 125.88 2nr2 s LEU 69 Ca 0.02 0.53 0.04 0.00 0.69 0.00 0.00 54.13 55.42 2nr2 s LEU 69 Cb -0.14 -3.10 -0.03 0.00 -0.43 0.00 0.00 46.19 42.49 2nr2 s LEU 69 CO -0.09 -0.71 0.28 -0.69 -0.29 0.00 0.00 176.35 174.85 2nr2 s VAL 70 N 3.11 5.07 0.28 1.68 1.01 0.24 -4.26 120.40 127.54 2nr2 s VAL 70 Ca 0.33 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2nr2 s VAL 70 Cb -0.13 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2nr2 s VAL 70 CO 0.15 -0.21 -0.15 -0.76 0.00 0.00 0.00 175.10 174.13 2nr2 s LEU 71 N -3.56 2.60 0.22 3.92 1.43 -1.26 -1.36 118.68 120.66 2nr2 s LEU 71 Ca 0.34 -1.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2nr2 s LEU 71 Cb -0.10 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.14 2nr2 s LEU 71 CO 0.27 -0.11 0.07 0.00 0.23 0.00 0.00 176.35 176.82 2nr2 s ARG 72 N -3.59 1.26 0.01 1.70 1.70 -1.05 -4.81 118.95 114.17 2nr2 s ARG 72 Ca 0.29 -1.65 0.02 0.00 -0.47 0.00 0.00 55.73 53.92 2nr2 s ARG 72 Cb -0.01 -0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.17 2nr2 s ARG 72 CO 0.13 -0.25 0.01 -0.51 -1.08 0.00 0.00 175.30 173.60 2nr2 s LEU 73 N -3.23 3.53 0.29 -1.89 1.43 -1.26 -4.91 118.68 112.63 2nr2 s LEU 73 Ca 0.33 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 2nr2 s LEU 73 Cb 0.07 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 2nr2 s LEU 73 CO 0.10 0.27 0.77 0.00 0.23 0.00 0.00 176.35 177.71 2nr2 s ARG 74 N -1.67 4.18 0.00 1.70 1.70 -1.26 -4.42 118.95 119.17 2nr2 s ARG 74 Ca 0.21 0.85 0.00 0.00 -0.47 0.00 0.00 55.73 56.31 2nr2 s ARG 74 Cb -0.12 -2.64 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 2nr2 s ARG 74 CO 0.12 0.26 0.00 0.41 -1.08 0.00 0.00 175.30 175.00 2nr2 n GLY 75 N 0.16 0.79 0.54 3.88 0.00 -1.26 -5.28 105.19 104.02 2nr2 n GLY 75 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93