#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 4.04 0.16 2.12 0.74 -1.26 -1.36 119.66 124.10 2nr2 s GLN 2 Ca 0.00 -0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.19 2nr2 s GLN 2 Cb 0.00 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 2nr2 s GLN 2 CO 0.00 0.01 -0.13 0.96 -0.55 0.00 0.00 175.29 175.58 2nr2 s ILE 3 N 1.20 1.41 -0.12 -2.34 -4.36 0.02 -0.29 121.20 116.72 2nr2 s ILE 3 Ca 0.07 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.47 2nr2 s ILE 3 Cb -0.14 -1.79 -0.03 0.00 1.25 0.00 0.00 42.46 41.75 2nr2 s ILE 3 CO 0.06 -0.57 -0.03 -0.36 0.24 0.00 0.00 174.94 174.27 2nr2 s PHE 4 N -2.75 3.04 -0.27 1.37 0.08 0.00 -0.54 117.98 118.91 2nr2 s PHE 4 Ca 0.15 -0.10 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 2nr2 s PHE 4 Cb -0.01 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2nr2 s PHE 4 CO 0.03 0.17 0.01 0.08 -0.10 0.00 0.00 175.22 175.42 2nr2 s VAL 5 N -0.21 3.41 0.12 -0.44 1.01 0.22 0.24 120.40 124.76 2nr2 s VAL 5 Ca 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2nr2 s VAL 5 Cb -0.13 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2nr2 s VAL 5 CO 0.02 0.14 0.34 -0.54 0.00 0.00 0.00 175.10 175.06 2nr2 s LYS 6 N 1.41 3.58 0.00 2.72 1.02 0.07 0.36 119.74 128.89 2nr2 s LYS 6 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2nr2 s LYS 6 Cb -0.17 -2.89 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 2nr2 s LYS 6 CO -0.01 0.50 0.00 0.25 -0.92 0.00 0.00 175.35 175.17 2nr2 n THR 7 N 0.14 0.00 -0.08 2.17 -2.24 -1.26 -0.78 114.28 112.23 2nr2 n THR 7 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 2nr2 n THR 7 Cb 0.52 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 2nr2 n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2nr2 n LEU 8 N 0.00 1.84 -4.09 3.22 7.94 -1.26 -4.77 117.00 119.87 2nr2 n LEU 8 Ca 0.00 0.55 -0.25 0.00 -1.11 0.00 0.00 56.01 55.20 2nr2 n LEU 8 Cb 0.00 -0.87 -0.16 0.00 0.53 0.00 0.00 43.42 42.92 2nr2 n LEU 8 CO 0.00 -0.30 -0.49 0.42 -1.11 0.00 0.00 177.39 175.91 2nr2 s THR 9 N -2.36 1.30 0.00 1.96 -4.23 -1.26 -5.02 115.64 106.03 2nr2 s THR 9 Ca -0.20 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2nr2 s THR 9 Cb 0.03 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2nr2 s THR 9 CO 0.31 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.39 2nr2 n GLY 10 N 3.34 0.59 3.55 3.99 0.00 -1.26 -5.05 105.19 110.35 2nr2 n GLY 10 Ca -0.19 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 2nr2 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nr2 s LYS 11 N 0.00 1.83 -0.25 1.61 -2.85 -1.26 -5.09 119.74 113.74 2nr2 s LYS 11 Ca 0.00 -1.91 -0.21 0.00 -1.00 0.00 0.00 55.97 52.85 2nr2 s LYS 11 Cb 0.00 -1.73 -0.02 0.00 -2.06 0.00 0.00 37.83 34.03 2nr2 s LYS 11 CO 0.00 0.15 0.67 0.99 0.10 0.00 0.00 175.35 177.26 2nr2 s THR 12 N -2.60 4.96 -0.17 3.79 2.01 -1.26 -4.24 115.64 118.13 2nr2 s THR 12 Ca 0.32 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 63.26 2nr2 s THR 12 Cb 0.02 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 2nr2 s THR 12 CO 0.17 0.01 1.03 -0.63 -0.69 0.00 0.00 174.62 174.51 2nr2 s ILE 13 N 2.53 4.72 -0.70 1.82 1.01 0.16 -4.89 121.20 125.85 2nr2 s ILE 13 Ca 0.28 2.03 -0.27 0.00 0.00 0.00 0.00 60.65 62.69 2nr2 s ILE 13 Cb -0.15 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.03 2nr2 s ILE 13 CO 0.08 -0.09 1.33 -0.89 0.00 0.00 0.00 174.94 175.38 2nr2 s THR 14 N 2.63 3.72 -0.27 2.92 2.01 -1.26 -0.61 115.64 124.78 2nr2 s THR 14 Ca 0.46 0.46 -0.09 0.00 0.31 0.00 0.00 61.69 62.83 2nr2 s THR 14 Cb -0.17 -4.78 -0.04 0.00 0.01 0.00 0.00 72.50 67.53 2nr2 s THR 14 CO 0.12 -1.68 0.14 -0.22 -0.69 0.00 0.00 174.62 172.29 2nr2 s LEU 15 N 5.99 3.81 -0.17 4.42 2.96 0.30 -5.00 118.68 130.99 2nr2 s LEU 15 Ca 0.40 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.98 2nr2 s LEU 15 Cb -0.09 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2nr2 s LEU 15 CO 0.17 -0.06 0.50 -1.61 -1.32 0.00 0.00 176.35 174.04 2nr2 s GLU 16 N 1.69 4.25 0.23 1.98 2.02 -1.26 -0.80 118.70 126.80 2nr2 s GLU 16 Ca 0.07 0.43 -0.03 0.00 0.02 0.00 0.00 54.97 55.46 2nr2 s GLU 16 Cb -0.16 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 2nr2 s GLU 16 CO 0.08 -0.04 0.24 0.14 0.02 0.00 0.00 175.26 175.70 2nr2 s VAL 17 N 1.27 0.00 0.40 2.63 -7.23 -0.46 -4.99 120.40 112.01 2nr2 s VAL 17 Ca 0.25 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 2nr2 s VAL 17 Cb -0.15 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2nr2 s VAL 17 CO 0.10 0.00 0.15 -1.61 -0.31 0.00 0.00 175.10 173.43 2nr2 s GLU 18 N -3.99 2.21 0.42 4.82 2.02 -1.26 0.57 118.70 123.49 2nr2 s GLU 18 Ca 0.35 -1.83 0.28 0.00 0.02 0.00 0.00 54.97 53.80 2nr2 s GLU 18 Cb 0.05 -1.97 1.02 0.00 0.10 0.00 0.00 34.13 33.32 2nr2 s GLU 18 CO 0.14 -0.07 1.82 -1.35 0.02 0.00 0.00 175.26 175.82 2nr2 h PRO 19 N 1.49 0.00 -0.19 0.39 0.11 -1.94 -3.01 132.00 128.84 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2nr2 h PRO 19 CO 0.70 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.92 2nr2 n SER 20 N -2.79 0.96 -4.71 -2.05 7.64 -1.26 -1.08 113.62 110.32 2nr2 n SER 20 Ca 0.02 -2.00 -0.41 0.00 1.01 0.00 0.00 58.87 57.49 2nr2 n SER 20 Cb 0.34 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.99 7.29 0.84 6.43 1.11 -1.14 -4.85 116.67 125.35 2nr2 s ASP 21 Ca 0.12 1.55 -0.11 0.00 0.18 0.00 0.00 52.55 54.29 2nr2 s ASP 21 Cb 0.06 -2.53 0.09 0.00 1.07 0.00 0.00 42.92 41.61 2nr2 s ASP 21 CO 0.08 -0.20 1.09 0.42 1.18 0.00 0.00 175.17 177.74 2nr2 s THR 22 N 0.85 2.96 0.31 -1.27 -4.23 -1.26 -1.22 115.64 111.77 2nr2 s THR 22 Ca 0.48 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 61.34 2nr2 s THR 22 Cb -0.20 -2.86 0.09 0.00 1.34 0.00 0.00 72.50 70.87 2nr2 s THR 22 CO 0.26 -0.41 1.77 0.40 -0.54 0.00 0.00 174.62 176.10 2nr2 h ILE 23 N -1.32 1.25 -0.90 2.99 1.08 -1.13 0.14 117.51 119.61 2nr2 h ILE 23 Ca -0.47 -1.13 -0.02 0.00 -0.39 0.00 0.00 64.86 62.84 2nr2 h ILE 23 Cb 1.26 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 36.25 2nr2 h ILE 23 CO 0.55 0.36 0.49 -0.08 -0.69 0.00 0.00 178.15 178.78 2nr2 h GLU 24 N 0.40 1.26 -0.36 2.37 4.81 -1.53 -2.55 114.58 118.99 2nr2 h GLU 24 Ca 0.07 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 2nr2 h GLU 24 Cb 0.58 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2nr2 h GLU 24 CO 0.04 0.93 -0.33 -0.91 -0.73 0.00 0.00 179.01 178.01 2nr2 h ASN 25 N 1.27 0.91 -0.50 1.04 -0.26 -1.65 -1.09 115.58 115.29 2nr2 h ASN 25 Ca 0.32 -0.46 0.10 0.00 -0.56 0.00 0.00 56.30 55.70 2nr2 h ASN 25 Cb 0.03 -0.26 -0.10 0.00 -1.06 0.00 0.00 38.32 36.94 2nr2 h ASN 25 CO -0.05 1.18 -0.13 0.58 -1.06 0.00 0.00 177.43 177.95 2nr2 h VAL 26 N 0.66 0.49 -0.77 2.81 2.07 -0.65 0.27 116.25 121.12 2nr2 h VAL 26 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2nr2 h VAL 26 Cb 0.91 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2nr2 h VAL 26 CO 0.08 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.29 2nr2 h LYS 27 N -0.01 0.91 -0.46 1.57 1.57 -1.33 -0.92 116.57 117.90 2nr2 h LYS 27 Ca 0.24 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2nr2 h LYS 27 Cb 0.37 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2nr2 h LYS 27 CO -0.52 0.60 -0.10 0.00 -0.57 0.00 0.00 179.45 178.86 2nr2 h ALA 28 N 1.55 0.94 -0.35 3.86 0.00 0.16 0.68 119.26 126.11 2nr2 h ALA 28 Ca 0.31 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2nr2 h ALA 28 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nr2 h ALA 28 CO -0.09 0.62 -0.36 0.87 0.00 0.00 0.00 179.25 180.29 2nr2 h LYS 29 N 0.76 0.80 0.00 0.00 1.57 0.17 0.22 116.57 120.09 2nr2 h LYS 29 Ca 0.13 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.43 2nr2 h LYS 29 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2nr2 h LYS 29 CO 0.04 1.03 -0.39 0.82 -0.57 0.00 0.00 179.45 180.37 2nr2 h ILE 30 N 0.66 1.15 -0.17 1.86 2.04 -0.89 -1.21 117.51 120.95 2nr2 h ILE 30 Ca 0.06 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2nr2 h ILE 30 Cb 0.91 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2nr2 h ILE 30 CO 0.08 0.39 -0.00 -0.61 0.00 0.00 0.00 178.15 178.01 2nr2 h GLN 31 N 0.00 0.30 0.00 2.37 4.15 -0.50 0.46 115.11 121.89 2nr2 h GLN 31 Ca -0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 2nr2 h GLN 31 Cb 0.76 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2nr2 h GLN 31 CO 0.05 0.52 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.85 2nr2 h ASP 32 N 0.05 0.00 0.05 -0.69 3.32 -0.74 -1.76 116.42 116.64 2nr2 h ASP 32 Ca 0.05 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 2nr2 h ASP 32 Cb 0.39 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2nr2 h ASP 32 CO 0.01 0.19 -1.28 0.50 -1.72 0.00 0.00 179.24 176.94 2nr2 h LYS 33 N 0.00 0.10 0.00 3.56 1.63 -0.68 -3.43 116.57 117.75 2nr2 h LYS 33 Ca -0.00 -0.18 -0.11 0.00 -0.85 0.00 0.00 60.65 59.51 2nr2 h LYS 33 Cb 0.36 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 2nr2 h LYS 33 CO 0.02 1.08 -1.44 0.39 -3.45 0.00 0.00 179.45 176.06 2nr2 n GLU 34 N -4.18 2.76 0.00 1.90 -0.58 0.16 -5.06 120.64 115.64 2nr2 n GLU 34 Ca -0.28 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 2nr2 n GLU 34 Cb 0.77 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 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 2.57 0.86 3.73 0.62 0.00 -0.66 -5.01 105.19 107.30 2nr2 n GLY 35 Ca -0.10 0.00 -0.40 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 4.86 0.48 -0.61 1.01 -1.26 -4.90 121.20 118.78 2nr2 s ILE 36 Ca 0.00 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.00 2nr2 s ILE 36 Cb 0.00 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 2nr2 s ILE 36 CO 0.00 0.31 1.39 -2.84 0.00 0.00 0.00 174.94 173.79 2nr2 s PRO 37 N 0.35 3.54 0.45 2.79 0.02 -1.26 -4.02 135.00 136.87 2nr2 s PRO 37 Ca 0.39 2.32 0.11 0.00 0.02 0.00 0.00 61.00 63.85 2nr2 s PRO 37 Cb -0.19 -2.53 1.03 0.00 0.02 0.00 0.00 34.50 32.83 2nr2 s PRO 37 CO 0.22 -0.90 2.08 -1.35 -0.33 0.00 0.00 177.00 176.71 2nr2 h PRO 38 N 2.07 0.33 0.00 5.54 0.11 -1.95 -0.41 132.00 137.68 2nr2 h PRO 38 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2nr2 h PRO 38 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2nr2 h PRO 38 CO 0.60 0.22 0.00 -0.44 -0.21 0.00 0.00 178.00 178.16 2nr2 h ASP 39 N 0.33 0.00 0.68 -2.05 3.32 -1.98 -2.52 116.42 114.21 2nr2 h ASP 39 Ca 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 2nr2 h ASP 39 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2nr2 h ASP 39 CO -0.03 0.00 -1.39 0.00 -1.72 0.00 0.00 179.24 176.10 2nr2 n GLN 40 N -2.78 0.62 -3.29 3.56 6.02 -0.17 -4.85 117.38 116.49 2nr2 n GLN 40 Ca -0.01 0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.72 2nr2 n GLN 40 Cb 0.13 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.56 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 -3.13 4.15 -0.03 -1.09 -0.21 -0.95 -0.33 119.66 118.06 2nr2 s GLN 41 Ca -0.03 0.68 0.06 0.00 0.02 0.00 0.00 55.36 56.09 2nr2 s GLN 41 Cb 0.09 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.93 2nr2 s GLN 41 CO 0.82 0.60 -0.21 1.03 -2.12 0.00 0.00 175.29 175.41 2nr2 s ARG 42 N -1.30 1.95 -0.06 2.91 3.00 0.59 -4.95 118.95 121.09 2nr2 s ARG 42 Ca 0.31 -0.76 0.02 0.00 0.00 0.00 0.00 55.73 55.30 2nr2 s ARG 42 Cb -0.18 -1.77 -0.03 0.00 0.00 0.00 0.00 34.95 32.97 2nr2 s ARG 42 CO 0.19 0.39 -0.11 -0.51 0.00 0.00 0.00 175.30 175.26 2nr2 s LEU 43 N -0.29 2.96 -0.11 2.53 1.43 -1.26 -2.17 118.68 121.76 2nr2 s LEU 43 Ca 0.03 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2nr2 s LEU 43 Cb -0.10 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.50 2nr2 s LEU 43 CO 0.01 0.35 -0.22 -0.63 0.23 0.00 0.00 176.35 176.10 2nr2 s ILE 44 N -0.77 1.96 -0.03 -0.59 -1.09 -0.19 -1.07 121.20 119.42 2nr2 s ILE 44 Ca 0.12 -0.94 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2nr2 s ILE 44 Cb -0.11 -1.72 0.03 0.00 -1.58 0.00 0.00 42.46 39.08 2nr2 s ILE 44 CO 0.01 0.53 0.03 0.12 -1.23 0.00 0.00 174.94 174.41 2nr2 s PHE 45 N 0.61 0.14 -1.67 3.97 5.36 -0.02 0.69 117.98 127.05 2nr2 s PHE 45 Ca -0.13 0.13 -0.16 0.00 -0.96 0.00 0.00 56.93 55.81 2nr2 s PHE 45 Cb -0.17 -0.39 0.14 0.00 -0.34 0.00 0.00 43.02 42.26 2nr2 s PHE 45 CO 0.03 -0.15 0.75 0.00 -1.46 0.00 0.00 175.22 174.40 2nr2 n ALA 46 N 4.61 -1.34 0.00 11.12 0.00 -1.26 -1.21 120.51 132.42 2nr2 n ALA 46 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2nr2 n ALA 46 Cb 0.50 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 -1.48 2.69 3.57 0.00 0.00 -1.26 -5.05 105.19 103.66 2nr2 n GLY 47 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.91 3.23 -0.13 1.61 1.02 -0.35 -5.08 119.74 119.14 2nr2 s LYS 48 Ca 0.00 -0.50 -0.22 0.00 0.02 0.00 0.00 55.97 55.27 2nr2 s LYS 48 Cb 0.00 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2nr2 s LYS 48 CO 0.00 0.49 0.67 -1.14 -0.92 0.00 0.00 175.35 174.45 2nr2 s GLN 49 N -0.31 4.34 0.16 1.68 0.74 -1.26 -0.84 119.66 124.18 2nr2 s GLN 49 Ca 0.05 0.77 -0.15 0.00 0.05 0.00 0.00 55.36 56.09 2nr2 s GLN 49 Cb -0.12 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.41 2nr2 s GLN 49 CO 0.02 -0.08 0.58 -0.51 -0.55 0.00 0.00 175.29 174.76 2nr2 s LEU 50 N 1.32 4.33 -0.21 3.68 1.43 -0.23 -5.00 118.68 124.01 2nr2 s LEU 50 Ca 0.34 1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 54.42 2nr2 s LEU 50 Cb -0.17 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2nr2 s LEU 50 CO 0.14 0.08 0.37 -1.61 0.23 0.00 0.00 176.35 175.56 2nr2 s GLU 51 N -1.98 4.16 0.21 1.70 2.02 -1.26 -4.73 118.70 118.81 2nr2 s GLU 51 Ca 0.39 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 55.38 2nr2 s GLU 51 Cb -0.15 -3.54 0.22 0.00 0.10 0.00 0.00 34.13 30.76 2nr2 s GLU 51 CO 0.19 -0.03 1.63 -0.44 0.02 0.00 0.00 175.26 176.64 2nr2 h ASP 52 N 7.40 -0.54 -0.76 -0.19 5.19 -1.96 -2.62 116.42 122.94 2nr2 h ASP 52 Ca -0.36 0.18 -0.41 0.00 -0.62 0.00 0.00 57.03 55.82 2nr2 h ASP 52 Cb 1.16 0.37 -0.15 0.00 0.18 0.00 0.00 39.33 40.88 2nr2 h ASP 52 CO 0.71 -0.19 0.34 0.61 -3.12 0.00 0.00 179.24 177.59 2nr2 n GLY 53 N -1.41 4.15 3.30 2.75 0.00 -1.26 -1.48 105.19 111.25 2nr2 n GLY 53 Ca 0.07 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 2nr2 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nr2 s ARG 54 N -1.55 1.19 0.33 1.61 3.52 -0.99 -5.02 118.95 118.05 2nr2 s ARG 54 Ca 0.49 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 2nr2 s ARG 54 Cb 0.32 -1.33 -0.03 0.00 -1.56 0.00 0.00 34.95 32.35 2nr2 s ARG 54 CO -0.12 0.29 0.53 0.95 -0.81 0.00 0.00 175.30 176.13 2nr2 s THR 55 N -1.63 5.12 0.27 4.11 -4.23 -1.26 -1.72 115.64 116.30 2nr2 s THR 55 Ca 0.11 -0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.12 2nr2 s THR 55 Cb -0.08 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.17 2nr2 s THR 55 CO 0.05 -0.53 1.84 -0.07 -0.54 0.00 0.00 174.62 175.37 2nr2 h LEU 56 N 0.83 0.90 0.00 4.79 3.38 -1.11 -2.64 115.31 121.47 2nr2 h LEU 56 Ca -0.50 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2nr2 h LEU 56 Cb 1.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2nr2 h LEU 56 CO 0.62 0.50 0.00 -1.54 0.09 0.00 0.00 178.44 178.11 2nr2 n SER 57 N -4.62 0.00 -0.04 -0.43 3.41 -0.25 -0.80 113.62 110.89 2nr2 n SER 57 Ca 0.17 0.42 -0.11 0.00 -0.26 0.00 0.00 58.87 59.09 2nr2 n SER 57 Cb 0.31 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 2nr2 n SER 57 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2nr2 n ASP 58 N -1.46 0.88 0.00 4.04 -0.08 -1.02 -3.55 116.55 115.36 2nr2 n ASP 58 Ca 0.06 0.25 0.15 0.00 -1.51 0.00 0.00 54.79 53.74 2nr2 n ASP 58 Cb 0.22 0.08 0.77 0.00 2.34 0.00 0.00 41.12 44.52 2nr2 n ASP 58 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2nr2 n TYR 59 N -3.04 0.00 -3.16 -0.67 4.01 -1.08 -4.95 117.16 108.27 2nr2 n TYR 59 Ca -0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.43 2nr2 n TYR 59 Cb 1.07 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.83 2nr2 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2nr2 n ASN 60 N -1.28 -7.28 -4.16 7.72 2.85 -0.42 -5.00 115.26 107.69 2nr2 n ASN 60 Ca 0.15 -0.13 -0.34 0.00 -0.11 0.00 0.00 54.58 54.14 2nr2 n ASN 60 Cb 0.24 -4.62 -0.14 0.00 1.24 0.00 0.00 39.78 36.50 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2nr2 s ILE 61 N -2.89 2.79 0.35 -1.44 1.01 0.02 -5.00 121.20 116.04 2nr2 s ILE 61 Ca 0.05 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.42 2nr2 s ILE 61 Cb -0.01 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 39.98 2nr2 s ILE 61 CO 0.78 0.02 0.48 0.00 0.00 0.00 0.00 174.94 176.22 2nr2 n GLN 62 N 4.61 0.45 -1.74 2.79 6.02 -1.26 -4.67 117.38 123.58 2nr2 n GLN 62 Ca -0.15 -1.51 -0.42 0.00 -0.01 0.00 0.00 57.00 54.92 2nr2 n GLN 62 Cb 0.44 -0.26 -0.00 0.00 1.02 0.00 0.00 30.24 31.44 2nr2 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2nr2 n LYS 63 N -1.85 2.37 -1.40 -1.09 2.85 -1.26 -2.89 118.16 114.89 2nr2 n LYS 63 Ca 0.09 0.83 -0.11 0.00 -1.05 0.00 0.00 58.31 58.07 2nr2 n LYS 63 Cb 0.31 -2.49 -0.04 0.00 -0.65 0.00 0.00 35.03 32.15 2nr2 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2nr2 n GLU 64 N 0.45 -0.78 -3.10 -1.58 1.02 0.60 -4.99 120.64 112.25 2nr2 n GLU 64 Ca 0.03 0.86 -0.34 0.00 -0.02 0.00 0.00 57.16 57.70 2nr2 n GLU 64 Cb 0.38 -4.85 -0.06 0.00 -0.02 0.00 0.00 31.44 26.89 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2nr2 s SER 65 N -2.85 6.90 -0.36 1.62 0.01 -1.14 -4.76 113.70 113.12 2nr2 s SER 65 Ca 0.00 1.36 -0.11 0.00 1.31 0.00 0.00 55.95 58.52 2nr2 s SER 65 Cb 0.00 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.85 2nr2 s SER 65 CO 0.00 -0.12 0.20 -0.89 0.41 0.00 0.00 173.24 172.84 2nr2 s THR 66 N -1.80 4.57 0.13 1.44 2.01 -1.26 -0.82 115.64 119.90 2nr2 s THR 66 Ca 0.50 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 2nr2 s THR 66 Cb -0.13 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2nr2 s THR 66 CO 0.19 -0.19 0.43 -0.76 -0.69 0.00 0.00 174.62 173.60 2nr2 s LEU 67 N 1.56 4.29 -0.15 4.42 1.02 0.14 -4.72 118.68 125.25 2nr2 s LEU 67 Ca 0.02 0.77 -0.01 0.00 0.02 0.00 0.00 54.13 54.93 2nr2 s LEU 67 Cb -0.19 -3.22 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 2nr2 s LEU 67 CO 0.07 0.09 -0.12 -1.00 0.02 0.00 0.00 176.35 175.41 2nr2 s HIS 68 N -1.55 2.84 -0.23 0.29 3.76 0.22 -0.75 115.29 119.86 2nr2 s HIS 68 Ca 0.38 -0.72 -0.09 0.00 -0.15 0.00 0.00 55.06 54.48 2nr2 s HIS 68 Cb -0.13 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 2nr2 s HIS 68 CO 0.21 -0.28 0.12 -1.17 -0.85 0.00 0.00 174.74 172.76 2nr2 s LEU 69 N 0.55 3.86 -0.02 0.89 2.96 0.04 -1.02 118.68 125.94 2nr2 s LEU 69 Ca -0.08 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2nr2 s LEU 69 Cb -0.16 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.53 2nr2 s LEU 69 CO 0.04 0.06 -0.00 0.68 -1.32 0.00 0.00 176.35 175.80 2nr2 s VAL 70 N 1.10 0.14 0.26 1.68 -7.23 -0.92 -4.44 120.40 110.99 2nr2 s VAL 70 Ca 0.06 0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.30 2nr2 s VAL 70 Cb -0.14 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.57 2nr2 s VAL 70 CO 0.04 0.10 0.41 -0.76 -0.31 0.00 0.00 175.10 174.59 2nr2 s LEU 71 N 0.66 4.22 -0.02 1.32 1.43 -1.26 -0.30 118.68 124.73 2nr2 s LEU 71 Ca -0.06 0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2nr2 s LEU 71 Cb -0.09 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 2nr2 s LEU 71 CO -0.01 -0.12 1.57 -0.60 0.23 0.00 0.00 176.35 177.42 2nr2 s ARG 72 N -3.96 4.21 0.00 1.70 3.52 0.55 -4.83 118.95 120.15 2nr2 s ARG 72 Ca 0.36 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.10 2nr2 s ARG 72 Cb -0.10 -3.79 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2nr2 s ARG 72 CO 0.31 -0.75 0.00 -0.11 -0.81 0.00 0.00 175.30 173.94 2nr2 n LEU 73 N 6.34 0.00 0.03 -0.88 7.94 -1.26 -4.96 117.00 124.20 2nr2 n LEU 73 Ca 0.16 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.05 2nr2 n LEU 73 Cb 0.43 0.03 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 2nr2 n LEU 73 CO 0.61 -0.34 0.41 0.03 -1.11 0.00 0.00 177.39 177.00 2nr2 h ARG 74 N 0.00 -0.07 0.00 1.96 3.08 -2.03 -3.49 114.38 113.82 2nr2 h ARG 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nr2 h ARG 74 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2nr2 h ARG 74 CO 0.00 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.26 2nr2 n GLY 75 N -0.51 -2.03 0.24 0.04 0.00 -1.26 -5.34 105.19 96.33 2nr2 n GLY 75 Ca -0.01 0.62 0.03 0.00 0.00 0.00 0.00 46.02 46.66 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93