#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 4.18 0.19 3.17 0.74 -1.26 -1.21 119.66 125.46 2nr2 s GLN 2 Ca 0.00 0.89 -0.03 0.00 0.05 0.00 0.00 55.36 56.27 2nr2 s GLN 2 Cb 0.00 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.55 2nr2 s GLN 2 CO 0.00 0.19 0.18 0.96 -0.55 0.00 0.00 175.29 176.06 2nr2 s ILE 3 N -1.88 0.03 0.22 -2.34 -4.36 -0.65 -0.16 121.20 112.07 2nr2 s ILE 3 Ca 0.53 -1.83 0.11 0.00 -0.26 0.00 0.00 60.65 59.19 2nr2 s ILE 3 Cb -0.12 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 2nr2 s ILE 3 CO 0.18 -0.14 -0.17 -0.36 0.24 0.00 0.00 174.94 174.70 2nr2 s PHE 4 N -4.09 2.42 -0.05 1.37 0.08 -0.92 -0.73 117.98 116.06 2nr2 s PHE 4 Ca 0.31 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.06 2nr2 s PHE 4 Cb 0.06 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2nr2 s PHE 4 CO 0.08 0.58 -0.04 0.08 -0.10 0.00 0.00 175.22 175.82 2nr2 s VAL 5 N -2.01 0.53 -0.46 -0.44 1.01 0.27 -1.67 120.40 117.64 2nr2 s VAL 5 Ca 0.26 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2nr2 s VAL 5 Cb -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2nr2 s VAL 5 CO 0.14 0.23 0.41 -0.75 0.00 0.00 0.00 175.10 175.13 2nr2 s LYS 6 N 1.08 3.01 1.07 2.72 2.47 0.36 -0.78 119.74 129.66 2nr2 s LYS 6 Ca -0.09 -1.15 -0.13 0.00 -1.56 0.00 0.00 55.97 53.05 2nr2 s LYS 6 Cb -0.14 -4.08 0.20 0.00 -1.46 0.00 0.00 37.83 32.35 2nr2 s LYS 6 CO -0.01 -0.97 0.86 0.25 0.16 0.00 0.00 175.35 175.64 2nr2 n THR 7 N 5.27 0.00 0.28 3.43 -2.24 -0.30 -2.41 114.28 118.31 2nr2 n THR 7 Ca -0.11 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2nr2 n THR 7 Cb 0.45 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.69 2nr2 n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2nr2 h LEU 8 N -2.26 -0.56 -0.11 3.22 3.38 -1.89 -3.15 115.31 113.94 2nr2 h LEU 8 Ca -0.53 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2nr2 h LEU 8 Cb 1.31 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2nr2 h LEU 8 CO 0.44 -0.40 0.00 0.35 0.09 0.00 0.00 178.44 178.92 2nr2 n THR 9 N -5.37 0.48 0.00 0.22 -2.24 -1.26 -4.85 114.28 101.26 2nr2 n THR 9 Ca -0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2nr2 n THR 9 Cb 0.28 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 2nr2 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nr2 n GLY 10 N 0.96 0.09 3.77 3.38 0.00 -1.19 -5.12 105.19 107.08 2nr2 n GLY 10 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 4.50 -0.13 1.61 2.20 -1.26 -4.75 119.74 121.91 2nr2 s LYS 11 Ca 0.00 1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.89 2nr2 s LYS 11 Cb 0.00 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 2nr2 s LYS 11 CO 0.00 0.16 0.77 0.99 -0.36 0.00 0.00 175.35 176.91 2nr2 s THR 12 N -1.46 4.95 -0.37 3.43 2.01 -1.26 -1.15 115.64 121.79 2nr2 s THR 12 Ca 0.50 1.54 -0.13 0.00 0.31 0.00 0.00 61.69 63.91 2nr2 s THR 12 Cb -0.24 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2nr2 s THR 12 CO 0.30 0.11 0.26 -0.63 -0.69 0.00 0.00 174.62 173.98 2nr2 s ILE 13 N 1.64 5.19 0.20 1.82 1.01 0.04 -4.92 121.20 126.18 2nr2 s ILE 13 Ca 0.38 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 2nr2 s ILE 13 Cb -0.17 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 2nr2 s ILE 13 CO 0.15 -0.14 0.64 -0.89 0.00 0.00 0.00 174.94 174.70 2nr2 s THR 14 N 1.69 4.72 0.27 2.92 2.01 -1.26 -0.57 115.64 125.43 2nr2 s THR 14 Ca 0.05 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.08 2nr2 s THR 14 Cb -0.18 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2nr2 s THR 14 CO 0.10 0.17 0.24 -0.76 -0.69 0.00 0.00 174.62 173.68 2nr2 s LEU 15 N -2.10 1.37 -0.14 4.42 1.43 0.09 -4.96 118.68 118.80 2nr2 s LEU 15 Ca 0.42 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 2nr2 s LEU 15 Cb -0.15 0.61 0.02 0.00 0.03 0.00 0.00 46.19 46.70 2nr2 s LEU 15 CO 0.20 -0.99 -0.12 -0.70 0.23 0.00 0.00 176.35 174.97 2nr2 s GLU 16 N -3.74 2.03 0.17 1.70 2.12 -1.26 -1.63 118.70 118.09 2nr2 s GLU 16 Ca 0.38 -0.47 0.11 0.00 0.36 0.00 0.00 54.97 55.35 2nr2 s GLU 16 Cb 0.04 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 2nr2 s GLU 16 CO 0.20 -0.26 -0.23 0.14 -0.54 0.00 0.00 175.26 174.57 2nr2 s VAL 17 N 1.56 2.21 0.52 3.70 -7.23 -0.35 -4.91 120.40 115.89 2nr2 s VAL 17 Ca 0.05 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.36 2nr2 s VAL 17 Cb -0.13 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 34.84 2nr2 s VAL 17 CO -0.10 -0.12 0.66 -1.61 -0.31 0.00 0.00 175.10 173.62 2nr2 s GLU 18 N -2.55 2.44 0.50 4.82 0.41 -1.26 -0.47 118.70 122.59 2nr2 s GLU 18 Ca 0.18 -1.59 0.28 0.00 -0.41 0.00 0.00 54.97 53.44 2nr2 s GLU 18 Cb -0.08 -2.58 0.88 0.00 -1.78 0.00 0.00 34.13 30.57 2nr2 s GLU 18 CO 0.08 -0.64 1.81 -1.35 -0.49 0.00 0.00 175.26 174.67 2nr2 h PRO 19 N 0.43 0.00 0.00 0.39 0.11 -1.95 -3.01 132.00 127.97 2nr2 h PRO 19 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2nr2 h PRO 19 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2nr2 h PRO 19 CO 0.45 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.68 2nr2 n SER 20 N -3.10 0.00 -4.77 -2.05 7.64 -1.26 -0.86 113.62 109.21 2nr2 n SER 20 Ca 0.02 0.36 -0.38 0.00 1.01 0.00 0.00 58.87 59.88 2nr2 n SER 20 Cb 0.41 -0.45 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.89 7.45 0.94 6.43 1.01 -1.14 -4.80 116.67 123.66 2nr2 s ASP 21 Ca 0.14 1.85 -0.13 0.00 0.71 0.00 0.00 52.55 55.13 2nr2 s ASP 21 Cb 0.16 -2.58 0.21 0.00 1.01 0.00 0.00 42.92 41.72 2nr2 s ASP 21 CO 0.42 0.04 1.28 0.42 0.21 0.00 0.00 175.17 177.53 2nr2 s THR 22 N -1.42 2.00 0.07 -1.27 -4.23 -1.26 -1.74 115.64 107.78 2nr2 s THR 22 Ca 0.46 -0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.88 2nr2 s THR 22 Cb -0.22 -2.85 -0.23 0.00 1.34 0.00 0.00 72.50 70.55 2nr2 s THR 22 CO 0.27 0.00 1.09 0.40 -0.54 0.00 0.00 174.62 175.84 2nr2 h ILE 23 N -1.51 1.45 0.00 2.99 1.08 -1.17 -2.99 117.51 117.36 2nr2 h ILE 23 Ca -0.42 -3.17 -0.03 0.00 -0.39 0.00 0.00 64.86 60.85 2nr2 h ILE 23 Cb 1.22 2.76 -0.00 0.00 -3.07 0.00 0.00 36.82 37.73 2nr2 h ILE 23 CO 0.32 0.85 -0.15 -0.08 -0.69 0.00 0.00 178.15 178.40 2nr2 h GLU 24 N 0.01 0.00 -0.23 2.37 4.81 -1.70 -1.62 114.58 118.22 2nr2 h GLU 24 Ca -0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2nr2 h GLU 24 Cb 1.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.24 2nr2 h GLU 24 CO 0.13 0.15 -0.02 -0.97 -0.73 0.00 0.00 179.01 177.57 2nr2 h ASN 25 N 0.00 0.42 -0.66 1.04 -0.73 -1.84 -0.94 115.58 112.86 2nr2 h ASN 25 Ca -0.00 -0.33 -0.03 0.00 1.87 0.00 0.00 56.30 57.81 2nr2 h ASN 25 Cb 0.29 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 2nr2 h ASN 25 CO 0.02 0.65 0.30 0.58 -0.37 0.00 0.00 177.43 178.61 2nr2 h VAL 26 N 0.17 1.23 0.00 2.57 2.07 -1.34 0.24 116.25 121.20 2nr2 h VAL 26 Ca 0.06 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2nr2 h VAL 26 Cb 0.45 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2nr2 h VAL 26 CO 0.02 0.27 0.00 0.29 0.02 0.00 0.00 177.57 178.17 2nr2 n LYS 27 N -4.45 0.10 0.09 1.57 5.02 -0.64 -1.38 118.16 118.47 2nr2 n LYS 27 Ca 0.05 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.28 2nr2 n LYS 27 Cb 0.14 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 2nr2 n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nr2 h ALA 28 N 2.67 0.08 -0.93 7.82 0.00 0.68 -2.29 119.26 127.29 2nr2 h ALA 28 Ca 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 54.91 53.86 2nr2 h ALA 28 Cb 0.24 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2nr2 h ALA 28 CO 0.00 0.95 0.61 0.87 0.00 0.00 0.00 179.25 181.67 2nr2 h LYS 29 N 0.12 1.17 0.00 0.00 1.57 -0.23 0.32 116.57 119.52 2nr2 h LYS 29 Ca -0.32 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 2nr2 h LYS 29 Cb 2.12 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 2nr2 h LYS 29 CO 0.20 0.78 -0.47 0.82 -0.57 0.00 0.00 179.45 180.21 2nr2 h ILE 30 N 1.21 0.97 -0.80 1.86 2.04 -1.33 -1.67 117.51 119.78 2nr2 h ILE 30 Ca 0.36 -1.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2nr2 h ILE 30 Cb -0.06 2.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2nr2 h ILE 30 CO -0.10 0.46 0.39 -0.61 0.00 0.00 0.00 178.15 178.29 2nr2 h GLN 31 N 0.00 1.15 -0.40 2.37 4.15 -0.49 0.27 115.11 122.16 2nr2 h GLN 31 Ca -0.00 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.31 2nr2 h GLN 31 Cb 1.09 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 2nr2 h GLN 31 CO 0.06 0.88 0.11 0.22 -1.93 0.00 0.00 178.83 178.17 2nr2 h ASP 32 N 1.14 0.08 0.00 -0.69 3.58 -0.91 -3.15 116.42 116.48 2nr2 h ASP 32 Ca 0.28 0.06 -0.20 0.00 0.42 0.00 0.00 57.03 57.58 2nr2 h ASP 32 Cb 0.10 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2nr2 h ASP 32 CO -0.04 0.08 -1.18 1.17 -2.88 0.00 0.00 179.24 176.40 2nr2 n LYS 33 N -5.05 0.55 -0.11 0.28 4.81 -0.64 -4.62 118.16 113.38 2nr2 n LYS 33 Ca 0.02 0.57 -0.18 0.00 -0.87 0.00 0.00 58.31 57.85 2nr2 n LYS 33 Cb 0.16 -1.74 -0.12 0.00 0.02 0.00 0.00 35.03 33.35 2nr2 n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2nr2 n GLU 34 N -4.46 0.67 0.00 1.64 -0.58 -0.04 -5.04 120.64 112.82 2nr2 n GLU 34 Ca -0.29 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2nr2 n GLU 34 Cb 0.63 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 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 2.19 1.70 3.51 0.62 0.00 -0.46 -5.03 105.19 107.73 2nr2 n GLY 35 Ca -0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 4.71 0.31 -0.61 1.01 -1.25 -4.95 121.20 118.41 2nr2 s ILE 36 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2nr2 s ILE 36 Cb 0.00 -3.22 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 2nr2 s ILE 36 CO 0.00 0.32 1.44 -2.65 0.00 0.00 0.00 174.94 174.05 2nr2 n PRO 37 N 4.87 2.36 0.08 2.79 -0.02 -1.26 -3.98 135.00 139.84 2nr2 n PRO 37 Ca -0.15 0.84 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 2nr2 n PRO 37 Cb 0.52 -2.52 0.39 0.00 -0.02 0.00 0.00 33.50 31.86 2nr2 n PRO 37 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2nr2 n PRO 38 N 1.40 0.10 0.14 0.52 -0.02 -1.26 -1.79 135.00 134.08 2nr2 n PRO 38 Ca 0.07 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 2nr2 n PRO 38 Cb 0.35 -1.72 0.38 0.00 -0.02 0.00 0.00 33.50 32.50 2nr2 n PRO 38 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2nr2 h ASP 39 N 0.00 0.00 0.18 2.55 2.03 -1.96 -3.31 116.42 115.91 2nr2 h ASP 39 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2nr2 h ASP 39 Cb 0.24 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.71 2nr2 h ASP 39 CO 0.00 0.00 -2.02 0.00 -1.03 0.00 0.00 179.24 176.19 2nr2 n GLN 40 N -2.47 0.72 -2.17 4.15 6.02 -0.74 -4.93 117.38 117.95 2nr2 n GLN 40 Ca 0.05 0.24 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 2nr2 n GLN 40 Cb 0.42 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.96 2nr2 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2nr2 s GLN 41 N -2.56 4.29 -0.21 -1.09 -0.21 -1.24 -2.53 119.66 116.12 2nr2 s GLN 41 Ca -0.20 2.04 -0.08 0.00 0.02 0.00 0.00 55.36 57.15 2nr2 s GLN 41 Cb 0.07 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 2nr2 s GLN 41 CO 0.76 -0.54 0.07 1.03 -2.12 0.00 0.00 175.29 174.50 2nr2 s ARG 42 N 1.93 3.90 -0.28 2.91 0.52 0.71 -4.99 118.95 123.66 2nr2 s ARG 42 Ca 0.65 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.40 2nr2 s ARG 42 Cb -0.34 -3.28 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 2nr2 s ARG 42 CO 0.29 0.13 0.12 -0.51 0.02 0.00 0.00 175.30 175.34 2nr2 s LEU 43 N 0.78 3.78 -0.03 2.53 1.43 -1.26 -1.06 118.68 124.85 2nr2 s LEU 43 Ca 0.04 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2nr2 s LEU 43 Cb -0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2nr2 s LEU 43 CO 0.02 -0.10 -0.11 -0.63 0.23 0.00 0.00 176.35 175.75 2nr2 s ILE 44 N 1.63 3.31 -0.22 -0.59 -1.09 -0.02 -1.10 121.20 123.11 2nr2 s ILE 44 Ca 0.06 -0.73 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 2nr2 s ILE 44 Cb -0.16 -2.35 0.09 0.00 -1.58 0.00 0.00 42.46 38.46 2nr2 s ILE 44 CO 0.05 0.52 0.51 0.12 -1.23 0.00 0.00 174.94 174.91 2nr2 s PHE 45 N -0.83 -0.90 -0.84 3.97 5.36 -0.07 -0.62 117.98 124.06 2nr2 s PHE 45 Ca 0.13 1.72 -0.04 0.00 -0.96 0.00 0.00 56.93 57.78 2nr2 s PHE 45 Cb -0.11 0.45 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 2nr2 s PHE 45 CO 0.03 -0.49 0.54 0.00 -1.46 0.00 0.00 175.22 173.83 2nr2 n ALA 46 N 4.93 -0.67 0.00 11.12 0.00 -1.26 -2.09 120.51 132.54 2nr2 n ALA 46 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2nr2 n ALA 46 Cb 0.52 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.30 2.85 3.81 0.00 0.00 -1.26 -5.00 105.19 104.29 2nr2 n GLY 47 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.04 4.26 0.02 1.61 1.02 -0.89 -5.07 119.74 120.66 2nr2 s LYS 48 Ca 0.00 0.83 -0.22 0.00 0.02 0.00 0.00 55.97 56.60 2nr2 s LYS 48 Cb 0.00 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 2nr2 s LYS 48 CO 0.00 0.53 0.67 -1.14 -0.92 0.00 0.00 175.35 174.49 2nr2 s GLN 49 N -1.50 4.40 -0.15 1.68 0.74 -1.26 -0.89 119.66 122.68 2nr2 s GLN 49 Ca 0.36 0.88 -0.17 0.00 0.05 0.00 0.00 55.36 56.48 2nr2 s GLN 49 Cb -0.19 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.53 2nr2 s GLN 49 CO 0.21 0.34 0.43 -0.51 -0.55 0.00 0.00 175.29 175.22 2nr2 s LEU 50 N -0.18 4.24 -0.00 3.68 1.43 -0.25 -4.96 118.68 122.63 2nr2 s LEU 50 Ca 0.34 0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 53.88 2nr2 s LEU 50 Cb -0.19 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 2nr2 s LEU 50 CO 0.20 -0.01 0.79 -1.61 0.23 0.00 0.00 176.35 175.95 2nr2 s GLU 51 N 0.79 4.49 0.03 1.70 2.02 -1.26 -4.72 118.70 121.76 2nr2 s GLU 51 Ca 0.23 1.08 -0.06 0.00 0.02 0.00 0.00 54.97 56.23 2nr2 s GLU 51 Cb -0.15 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 2nr2 s GLU 51 CO 0.08 0.14 1.11 -0.44 0.02 0.00 0.00 175.26 176.17 2nr2 h ASP 52 N 6.28 -0.44 -0.36 -0.19 5.19 -1.97 -2.85 116.42 122.07 2nr2 h ASP 52 Ca -0.42 0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 55.44 2nr2 h ASP 52 Cb 1.21 0.20 -0.04 0.00 0.18 0.00 0.00 39.33 40.88 2nr2 h ASP 52 CO 0.73 -0.05 2.71 0.61 -3.12 0.00 0.00 179.24 180.12 2nr2 n GLY 53 N -1.05 4.33 3.28 2.75 0.00 -1.26 -2.03 105.19 111.21 2nr2 n GLY 53 Ca 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 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 0.93 1.13 0.40 1.61 1.81 -1.08 -5.03 118.95 118.72 2nr2 s ARG 54 Ca 0.65 -1.41 0.06 0.00 -1.72 0.00 0.00 55.73 53.31 2nr2 s ARG 54 Cb 0.21 -0.89 0.00 0.00 -0.45 0.00 0.00 34.95 33.82 2nr2 s ARG 54 CO -0.07 0.15 0.55 0.95 -0.68 0.00 0.00 175.30 176.20 2nr2 s THR 55 N -2.74 3.52 0.37 0.02 -4.23 -1.26 -2.22 115.64 109.09 2nr2 s THR 55 Ca 0.15 -0.93 0.26 0.00 -1.18 0.00 0.00 61.69 60.00 2nr2 s THR 55 Cb -0.01 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.89 2nr2 s THR 55 CO 0.03 -0.09 2.03 -0.07 -0.54 0.00 0.00 174.62 175.98 2nr2 h LEU 56 N 0.68 0.00 -0.43 4.79 3.38 -0.83 -2.49 115.31 120.41 2nr2 h LEU 56 Ca -0.43 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.39 2nr2 h LEU 56 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2nr2 h LEU 56 CO 0.50 0.14 -0.35 -1.28 0.09 0.00 0.00 178.44 177.54 2nr2 h SER 57 N 0.00 0.99 -1.01 -0.43 0.87 -1.29 -0.62 113.55 112.06 2nr2 h SER 57 Ca -0.00 -0.43 0.11 0.00 -1.23 0.00 0.00 61.79 60.23 2nr2 h SER 57 Cb 0.40 -0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 2nr2 h SER 57 CO 0.02 1.23 0.64 0.44 -0.53 0.00 0.00 176.83 178.63 2nr2 h ASP 58 N 0.77 0.96 0.10 6.23 3.32 -1.71 -2.22 116.42 123.88 2nr2 h ASP 58 Ca 0.07 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2nr2 h ASP 58 Cb 0.94 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2nr2 h ASP 58 CO 0.09 0.54 -0.09 -1.22 -1.72 0.00 0.00 179.24 176.84 2nr2 n TYR 59 N -4.59 0.00 -3.46 4.55 4.01 -1.02 -4.94 117.16 111.71 2nr2 n TYR 59 Ca 0.18 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.75 2nr2 n TYR 59 Cb 0.31 -0.06 0.08 0.00 -0.31 0.00 0.00 39.34 39.36 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 -0.29 -2.25 -4.69 7.72 3.02 -0.83 -4.96 115.26 112.98 2nr2 n ASN 60 Ca 0.17 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.66 2nr2 n ASN 60 Cb 0.33 -4.97 -0.05 0.00 -0.61 0.00 0.00 39.78 34.48 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 -3.41 4.98 0.65 2.41 -1.09 -0.30 -5.02 121.20 119.42 2nr2 s ILE 61 Ca 0.03 1.49 -0.00 0.00 -2.23 0.00 0.00 60.65 59.94 2nr2 s ILE 61 Cb -0.01 -4.07 0.09 0.00 -1.58 0.00 0.00 42.46 36.89 2nr2 s ILE 61 CO 0.74 0.14 0.91 -1.10 -1.23 0.00 0.00 174.94 174.41 2nr2 s GLN 62 N 1.47 2.04 0.47 2.79 -0.21 -1.26 -4.77 119.66 120.19 2nr2 s GLN 62 Ca 0.37 -0.92 -0.22 0.00 0.02 0.00 0.00 55.36 54.60 2nr2 s GLN 62 Cb -0.17 -2.38 -0.07 0.00 1.00 0.00 0.00 33.01 31.39 2nr2 s GLN 62 CO 0.15 -1.15 1.15 -1.59 -2.12 0.00 0.00 175.29 171.73 2nr2 s LYS 63 N -5.01 3.71 -1.40 2.91 -2.85 -1.26 -3.67 119.74 112.17 2nr2 s LYS 63 Ca 0.62 1.73 -0.05 0.00 -1.00 0.00 0.00 55.97 57.27 2nr2 s LYS 63 Cb -0.08 -2.34 0.01 0.00 -2.06 0.00 0.00 37.83 33.36 2nr2 s LYS 63 CO 0.42 -0.58 0.60 0.39 0.10 0.00 0.00 175.35 176.28 2nr2 n GLU 64 N -0.61 -4.70 -3.99 1.78 1.02 0.77 -5.00 120.64 109.93 2nr2 n GLU 64 Ca 0.08 0.82 -0.31 0.00 -0.02 0.00 0.00 57.16 57.73 2nr2 n GLU 64 Cb 0.49 -5.52 -0.05 0.00 -0.02 0.00 0.00 31.44 26.33 2nr2 n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2nr2 s SER 65 N -2.78 5.96 -0.41 1.62 0.15 -1.24 -4.89 113.70 112.11 2nr2 s SER 65 Ca 0.30 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.93 2nr2 s SER 65 Cb -0.13 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 2nr2 s SER 65 CO 0.37 0.18 0.42 -0.89 1.20 0.00 0.00 173.24 174.52 2nr2 s THR 66 N -1.42 5.11 0.30 6.45 2.01 -1.26 -2.18 115.64 124.65 2nr2 s THR 66 Ca 0.31 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 2nr2 s THR 66 Cb -0.13 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 2nr2 s THR 66 CO 0.24 -0.38 0.61 -0.76 -0.69 0.00 0.00 174.62 173.65 2nr2 s LEU 67 N 2.10 4.03 -0.23 4.42 1.43 -0.67 -4.92 118.68 124.84 2nr2 s LEU 67 Ca 0.12 0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 54.04 2nr2 s LEU 67 Cb -0.17 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 2nr2 s LEU 67 CO 0.13 -0.21 0.09 -1.00 0.23 0.00 0.00 176.35 175.59 2nr2 s HIS 68 N -2.07 3.17 -0.16 0.29 3.76 0.21 -0.49 115.29 119.99 2nr2 s HIS 68 Ca 0.47 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 55.09 2nr2 s HIS 68 Cb -0.11 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 2nr2 s HIS 68 CO 0.27 -0.13 0.37 -1.17 -0.85 0.00 0.00 174.74 173.23 2nr2 s LEU 69 N 1.16 4.23 0.19 0.89 2.96 -1.01 -0.84 118.68 126.25 2nr2 s LEU 69 Ca 0.05 0.60 0.11 0.00 -0.22 0.00 0.00 54.13 54.66 2nr2 s LEU 69 Cb -0.14 -2.50 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 2nr2 s LEU 69 CO 0.04 0.02 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.17 2nr2 s VAL 70 N 0.74 2.26 0.12 1.68 1.01 -0.23 -4.25 120.40 121.72 2nr2 s VAL 70 Ca 0.20 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.23 2nr2 s VAL 70 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2nr2 s VAL 70 CO 0.07 -0.14 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 2nr2 s LEU 71 N -2.65 2.43 -0.01 3.92 1.43 -1.26 -0.21 118.68 122.33 2nr2 s LEU 71 Ca 0.20 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.21 2nr2 s LEU 71 Cb -0.08 -0.46 -0.19 0.00 0.03 0.00 0.00 46.19 45.49 2nr2 s LEU 71 CO 0.09 -0.20 1.24 -0.09 0.23 0.00 0.00 176.35 177.62 2nr2 h ARG 72 N 3.40 0.11 -6.75 1.70 2.43 -1.86 -3.45 114.38 109.96 2nr2 h ARG 72 Ca -0.39 -0.06 -0.48 0.00 -0.81 0.00 0.00 59.98 58.24 2nr2 h ARG 72 Cb 1.19 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2nr2 h ARG 72 CO 0.53 0.62 -0.03 -0.51 -1.51 0.00 0.00 179.97 179.07 2nr2 s LEU 73 N -9.08 3.78 -0.13 3.80 1.43 -1.26 -5.05 118.68 112.16 2nr2 s LEU 73 Ca -0.16 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.55 2nr2 s LEU 73 Cb 0.02 -3.59 -0.25 0.00 0.03 0.00 0.00 46.19 42.40 2nr2 s LEU 73 CO 0.70 -0.48 0.33 0.54 0.23 0.00 0.00 176.35 177.67 2nr2 n ARG 74 N -2.06 0.74 -0.07 1.70 1.74 -1.26 -4.79 116.66 112.66 2nr2 n ARG 74 Ca -0.02 0.29 -0.06 0.00 -0.77 0.00 0.00 57.85 57.29 2nr2 n ARG 74 Cb 0.56 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 2nr2 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nr2 n GLY 75 N 1.95 -0.91 0.00 -0.13 0.00 -1.26 -5.13 105.19 99.71 2nr2 n GLY 75 Ca -0.33 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93