#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 3.28 0.12 3.17 0.74 -1.26 -0.54 119.66 125.17 2nr2 s GLN 2 Ca 0.00 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.82 2nr2 s GLN 2 Cb 0.00 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 2nr2 s GLN 2 CO 0.00 0.35 -0.03 0.96 -0.55 0.00 0.00 175.29 176.01 2nr2 s ILE 3 N 0.03 0.64 0.07 -2.34 -4.36 -1.02 -0.19 121.20 114.02 2nr2 s ILE 3 Ca -0.02 -1.95 0.09 0.00 -0.26 0.00 0.00 60.65 58.51 2nr2 s ILE 3 Cb -0.14 -1.85 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2nr2 s ILE 3 CO 0.04 -0.72 -0.25 -0.36 0.24 0.00 0.00 174.94 173.89 2nr2 s PHE 4 N -3.67 2.36 -0.15 1.37 0.08 -0.75 -1.58 117.98 115.64 2nr2 s PHE 4 Ca 0.17 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.85 2nr2 s PHE 4 Cb 0.06 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.15 2nr2 s PHE 4 CO -0.02 0.20 -0.20 0.08 -0.10 0.00 0.00 175.22 175.18 2nr2 s VAL 5 N -0.89 2.16 -0.40 -0.44 1.01 -1.00 -1.10 120.40 119.74 2nr2 s VAL 5 Ca 0.13 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2nr2 s VAL 5 Cb -0.10 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2nr2 s VAL 5 CO 0.04 0.54 0.54 -0.54 0.00 0.00 0.00 175.10 175.68 2nr2 s LYS 6 N 0.96 3.37 1.00 2.72 1.02 0.10 -1.97 119.74 126.94 2nr2 s LYS 6 Ca -0.03 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 2nr2 s LYS 6 Cb -0.15 -3.90 0.19 0.00 -0.52 0.00 0.00 37.83 33.46 2nr2 s LYS 6 CO -0.05 -0.83 1.09 0.95 -0.92 0.00 0.00 175.35 175.60 2nr2 s THR 7 N 2.49 2.08 0.15 2.17 -4.23 -0.67 -1.44 115.64 116.20 2nr2 s THR 7 Ca 0.19 0.03 0.19 0.00 -1.18 0.00 0.00 61.69 60.91 2nr2 s THR 7 Cb -0.15 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.33 2nr2 s THR 7 CO 0.15 -0.03 1.73 0.25 -0.54 0.00 0.00 174.62 176.18 2nr2 h LEU 8 N -1.92 0.00 -0.75 4.79 5.85 -1.87 -2.78 115.31 118.63 2nr2 h LEU 8 Ca -0.55 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 2nr2 h LEU 8 Cb 1.33 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2nr2 h LEU 8 CO 0.57 0.36 -0.16 0.71 -0.34 0.00 0.00 178.44 179.59 2nr2 h THR 9 N 0.00 0.33 -1.04 1.05 1.35 -1.92 -3.47 112.91 109.21 2nr2 h THR 9 Ca -0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2nr2 h THR 9 Cb 0.90 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2nr2 h THR 9 CO 0.05 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 2nr2 n GLY 10 N 0.52 0.58 3.41 5.82 0.00 -1.05 -5.12 105.19 109.37 2nr2 n GLY 10 Ca 0.01 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.60 2.28 -0.27 1.61 2.20 -1.26 -4.96 119.74 117.74 2nr2 s LYS 11 Ca 0.00 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 2nr2 s LYS 11 Cb 0.00 -2.22 -0.01 0.00 -1.51 0.00 0.00 37.83 34.09 2nr2 s LYS 11 CO 0.00 0.59 0.07 0.99 -0.36 0.00 0.00 175.35 176.64 2nr2 s THR 12 N -0.72 4.11 0.44 3.43 2.01 -1.26 -1.67 115.64 121.99 2nr2 s THR 12 Ca 0.11 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2nr2 s THR 12 Cb -0.10 -3.01 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2nr2 s THR 12 CO 0.01 0.23 0.63 0.27 -0.69 0.00 0.00 174.62 175.07 2nr2 s ILE 13 N 1.56 3.55 0.00 1.82 -4.36 -0.83 -4.95 121.20 117.99 2nr2 s ILE 13 Ca 0.05 -0.74 0.07 0.00 -0.26 0.00 0.00 60.65 59.77 2nr2 s ILE 13 Cb -0.16 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.26 2nr2 s ILE 13 CO 0.03 -0.16 -0.23 -0.89 0.24 0.00 0.00 174.94 173.93 2nr2 s THR 14 N -2.47 1.84 0.15 8.37 2.01 -1.26 -2.36 115.64 121.92 2nr2 s THR 14 Ca 0.51 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2nr2 s THR 14 Cb -0.10 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2nr2 s THR 14 CO 0.35 0.44 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.85 2nr2 s LEU 15 N -0.75 2.50 -0.09 4.42 1.43 -0.61 -4.98 118.68 120.60 2nr2 s LEU 15 Ca 0.09 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2nr2 s LEU 15 Cb -0.09 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 2nr2 s LEU 15 CO -0.00 -0.24 -0.10 -0.70 0.23 0.00 0.00 176.35 175.54 2nr2 s GLU 16 N -3.40 2.94 0.18 1.70 2.12 -1.26 -2.43 118.70 118.55 2nr2 s GLU 16 Ca 0.16 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2nr2 s GLU 16 Cb -0.00 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 2nr2 s GLU 16 CO 0.03 0.50 0.04 0.14 -0.54 0.00 0.00 175.26 175.43 2nr2 s VAL 17 N -0.39 0.49 0.19 3.70 -7.23 0.29 -4.98 120.40 112.48 2nr2 s VAL 17 Ca 0.05 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2nr2 s VAL 17 Cb -0.12 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2nr2 s VAL 17 CO 0.02 -0.34 0.18 -1.61 -0.31 0.00 0.00 175.10 173.04 2nr2 s GLU 18 N -3.98 3.00 0.00 4.82 0.41 -1.26 0.54 118.70 122.22 2nr2 s GLU 18 Ca 0.28 -0.88 0.30 0.00 -0.41 0.00 0.00 54.97 54.26 2nr2 s GLU 18 Cb 0.07 -2.67 1.51 0.00 -1.78 0.00 0.00 34.13 31.26 2nr2 s GLU 18 CO 0.06 0.46 2.05 -0.35 -0.49 0.00 0.00 175.26 176.99 2nr2 n PRO 19 N -0.65 0.46 0.18 0.39 -0.04 -1.26 -1.10 135.00 132.99 2nr2 n PRO 19 Ca -0.08 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2nr2 n PRO 19 Cb 0.56 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.88 2nr2 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2nr2 h SER 20 N 0.04 0.00 -3.25 3.54 0.02 -1.96 -0.27 113.55 111.66 2nr2 h SER 20 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2nr2 h SER 20 Cb 0.28 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.90 2nr2 h SER 20 CO 0.00 0.00 0.89 -1.81 -1.14 0.00 0.00 176.83 174.77 2nr2 s ASP 21 N -5.37 6.40 0.74 3.07 1.01 -0.25 -4.87 116.67 117.38 2nr2 s ASP 21 Ca 0.07 2.91 -0.11 0.00 0.71 0.00 0.00 52.55 56.13 2nr2 s ASP 21 Cb 0.08 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.42 2nr2 s ASP 21 CO 0.59 -0.90 1.08 0.42 0.21 0.00 0.00 175.17 176.57 2nr2 s THR 22 N 0.14 3.56 0.17 -1.27 -4.23 -1.26 -3.15 115.64 109.61 2nr2 s THR 22 Ca 0.64 0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 61.60 2nr2 s THR 22 Cb -0.47 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 2nr2 s THR 22 CO 0.46 -0.65 1.51 0.40 -0.54 0.00 0.00 174.62 175.79 2nr2 h ILE 23 N -0.91 1.28 -0.90 2.99 1.08 -1.24 -1.59 117.51 118.23 2nr2 h ILE 23 Ca -0.44 -1.59 0.22 0.00 -0.39 0.00 0.00 64.86 62.66 2nr2 h ILE 23 Cb 1.22 1.47 -0.12 0.00 -3.07 0.00 0.00 36.82 36.32 2nr2 h ILE 23 CO 0.53 0.52 0.40 -0.08 -0.69 0.00 0.00 178.15 178.83 2nr2 h GLU 24 N 0.66 0.40 -0.16 2.37 4.81 -1.67 -1.66 114.58 119.32 2nr2 h GLU 24 Ca 0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2nr2 h GLU 24 Cb 0.98 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 2nr2 h GLU 24 CO 0.09 0.26 -0.28 -0.97 -0.73 0.00 0.00 179.01 177.38 2nr2 h ASN 25 N 0.41 0.29 0.61 1.04 -0.73 -1.60 0.89 115.58 116.50 2nr2 h ASN 25 Ca 0.56 -0.10 -0.11 0.00 1.87 0.00 0.00 56.30 58.52 2nr2 h ASN 25 Cb 1.05 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 2nr2 h ASN 25 CO -0.52 0.58 -0.52 0.58 -0.37 0.00 0.00 177.43 177.18 2nr2 h VAL 26 N 0.26 1.29 -0.02 2.57 2.07 -0.79 -0.72 116.25 120.91 2nr2 h VAL 26 Ca 0.04 -1.82 -0.22 0.00 0.82 0.00 0.00 66.70 65.52 2nr2 h VAL 26 Cb 0.64 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2nr2 h VAL 26 CO 0.05 0.51 -0.89 0.11 0.02 0.00 0.00 177.57 177.37 2nr2 h LYS 27 N 0.00 0.42 -0.68 1.57 1.57 -0.54 -1.98 116.57 116.93 2nr2 h LYS 27 Ca -0.01 -0.42 0.08 0.00 -1.87 0.00 0.00 60.65 58.44 2nr2 h LYS 27 Cb 0.96 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.32 2nr2 h LYS 27 CO 0.07 1.08 0.33 0.00 -0.57 0.00 0.00 179.45 180.36 2nr2 h ALA 28 N 0.78 0.92 -0.15 3.86 0.00 -0.63 -1.05 119.26 123.00 2nr2 h ALA 28 Ca -0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2nr2 h ALA 28 Cb 1.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2nr2 h ALA 28 CO 0.15 -0.05 0.03 -0.22 0.00 0.00 0.00 179.25 179.17 2nr2 h LYS 29 N 0.58 0.10 -0.79 0.00 3.64 -0.99 -2.69 116.57 116.42 2nr2 h LYS 29 Ca 0.33 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2nr2 h LYS 29 Cb 0.33 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2nr2 h LYS 29 CO -0.25 0.06 0.52 0.82 -2.27 0.00 0.00 179.45 178.33 2nr2 h ILE 30 N 0.10 1.09 -0.76 2.00 2.04 -1.11 -1.47 117.51 119.39 2nr2 h ILE 30 Ca 0.07 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 2nr2 h ILE 30 Cb 0.05 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 2nr2 h ILE 30 CO -0.08 0.17 0.26 -0.61 0.00 0.00 0.00 178.15 177.88 2nr2 h GLN 31 N 0.92 1.16 0.88 2.37 4.15 -1.05 -0.20 115.11 123.34 2nr2 h GLN 31 Ca 0.33 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2nr2 h GLN 31 Cb 0.12 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.64 2nr2 h GLN 31 CO -0.10 0.97 -0.44 0.22 -1.93 0.00 0.00 178.83 177.55 2nr2 h ASP 32 N 1.12 -1.05 0.33 -0.69 3.58 -1.29 -1.68 116.42 116.74 2nr2 h ASP 32 Ca 0.25 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2nr2 h ASP 32 Cb 0.28 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 2nr2 h ASP 32 CO -0.01 -0.73 -0.22 0.50 -2.88 0.00 0.00 179.24 175.90 2nr2 h LYS 33 N -1.20 -0.50 -0.01 0.28 3.64 -1.20 -3.37 116.57 114.21 2nr2 h LYS 33 Ca -0.12 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2nr2 h LYS 33 Cb 0.93 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2nr2 h LYS 33 CO 0.19 -0.33 -0.21 0.39 -2.27 0.00 0.00 179.45 177.22 2nr2 n GLU 34 N -3.64 1.56 -2.45 1.90 -0.58 -0.10 -5.05 120.64 112.28 2nr2 n GLU 34 Ca -0.06 -1.00 -0.07 0.00 -0.42 0.00 0.00 57.16 55.61 2nr2 n GLU 34 Cb 0.22 -1.26 0.03 0.00 -0.57 0.00 0.00 31.44 29.86 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 1.03 0.08 2.99 0.62 0.00 -0.63 -4.99 105.19 104.29 2nr2 n GLY 35 Ca 0.07 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.16 0.78 0.57 -0.61 1.01 -1.25 -5.01 121.20 113.54 2nr2 s ILE 36 Ca 0.08 -0.35 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2nr2 s ILE 36 Cb -0.01 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2nr2 s ILE 36 CO 0.31 0.25 1.09 -2.16 0.00 0.00 0.00 174.94 174.43 2nr2 s PRO 37 N 0.25 3.29 0.58 2.79 0.04 -1.26 -3.76 135.00 136.93 2nr2 s PRO 37 Ca -0.04 1.42 0.36 0.00 0.04 0.00 0.00 61.00 62.78 2nr2 s PRO 37 Cb -0.09 -2.01 1.68 0.00 0.04 0.00 0.00 34.50 34.12 2nr2 s PRO 37 CO 0.01 -0.86 2.11 -1.00 0.04 0.00 0.00 177.00 177.29 2nr2 h PRO 38 N 0.81 0.00 -0.28 0.56 0.13 -1.92 -2.67 132.00 128.63 2nr2 h PRO 38 Ca -0.48 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2nr2 h PRO 38 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2nr2 h PRO 38 CO 0.57 0.03 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.86 2nr2 h ASP 39 N 0.00 -0.26 0.26 1.44 5.19 -1.97 -2.72 116.42 118.36 2nr2 h ASP 39 Ca -0.00 0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 56.31 2nr2 h ASP 39 Cb 0.34 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2nr2 h ASP 39 CO 0.00 -0.09 -0.74 1.56 -3.12 0.00 0.00 179.24 176.85 2nr2 h GLN 40 N -0.00 0.41 -6.32 3.56 4.20 -1.80 -3.45 115.11 111.71 2nr2 h GLN 40 Ca 0.13 -0.34 -0.55 0.00 0.06 0.00 0.00 58.65 57.96 2nr2 h GLN 40 Cb 0.20 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2nr2 h GLN 40 CO -0.29 0.98 0.85 -0.65 -0.67 0.00 0.00 178.83 179.06 2nr2 s GLN 41 N -3.60 4.27 -0.16 1.46 -0.21 -1.03 -1.06 119.66 119.33 2nr2 s GLN 41 Ca -0.06 1.90 -0.02 0.00 0.02 0.00 0.00 55.36 57.21 2nr2 s GLN 41 Cb 0.10 -3.65 -0.01 0.00 1.00 0.00 0.00 33.01 30.45 2nr2 s GLN 41 CO 0.84 -0.61 -0.10 0.50 -2.12 0.00 0.00 175.29 173.80 2nr2 s ARG 42 N 2.74 3.38 -0.15 2.91 3.52 -0.03 -4.92 118.95 126.40 2nr2 s ARG 42 Ca 0.62 -0.66 -0.12 0.00 -0.13 0.00 0.00 55.73 55.45 2nr2 s ARG 42 Cb -0.29 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 2nr2 s ARG 42 CO 0.24 0.05 0.23 -0.51 -0.81 0.00 0.00 175.30 174.50 2nr2 s LEU 43 N 0.78 4.28 0.07 -0.88 1.43 -1.26 -1.67 118.68 121.43 2nr2 s LEU 43 Ca -0.04 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.61 2nr2 s LEU 43 Cb -0.15 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 2nr2 s LEU 43 CO 0.01 0.20 -0.25 -0.63 0.23 0.00 0.00 176.35 175.91 2nr2 s ILE 44 N 0.03 2.27 -0.17 -0.59 1.01 -0.31 -0.56 121.20 122.88 2nr2 s ILE 44 Ca 0.14 -1.49 -0.09 0.00 0.00 0.00 0.00 60.65 59.21 2nr2 s ILE 44 Cb -0.13 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.47 2nr2 s ILE 44 CO 0.03 0.27 0.40 0.12 0.00 0.00 0.00 174.94 175.76 2nr2 s PHE 45 N -0.91 -0.61 -1.51 3.97 5.36 -0.33 -0.41 117.98 123.54 2nr2 s PHE 45 Ca 0.13 1.28 -0.11 0.00 -0.96 0.00 0.00 56.93 57.27 2nr2 s PHE 45 Cb -0.10 0.25 0.07 0.00 -0.34 0.00 0.00 43.02 42.91 2nr2 s PHE 45 CO 0.04 -0.35 0.87 0.00 -1.46 0.00 0.00 175.22 174.31 2nr2 n ALA 46 N 4.39 -1.46 0.00 11.12 0.00 -1.26 -2.68 120.51 130.61 2nr2 n ALA 46 Ca -0.22 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2nr2 n ALA 46 Cb 0.54 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.30 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 -1.66 2.68 3.88 0.00 0.00 -1.26 -5.00 105.19 103.84 2nr2 n GLY 47 Ca -0.04 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2nr2 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nr2 s LYS 48 N 0.00 3.68 0.27 1.61 -2.85 -1.09 -5.11 119.74 116.25 2nr2 s LYS 48 Ca 0.00 0.04 -0.14 0.00 -1.00 0.00 0.00 55.97 54.87 2nr2 s LYS 48 Cb 0.00 -2.87 -0.08 0.00 -2.06 0.00 0.00 37.83 32.82 2nr2 s LYS 48 CO 0.00 0.48 0.67 1.14 0.10 0.00 0.00 175.35 177.74 2nr2 s GLN 49 N -2.43 3.97 -0.12 1.78 -2.07 -1.26 -1.18 119.66 118.35 2nr2 s GLN 49 Ca 0.39 0.56 -0.02 0.00 -1.82 0.00 0.00 55.36 54.47 2nr2 s GLN 49 Cb -0.13 -2.58 -0.03 0.00 -1.09 0.00 0.00 33.01 29.18 2nr2 s GLN 49 CO 0.22 0.25 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.91 2nr2 s LEU 50 N -2.74 3.36 0.34 2.60 1.43 0.27 -4.90 118.68 119.03 2nr2 s LEU 50 Ca 0.50 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.49 2nr2 s LEU 50 Cb -0.12 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 2nr2 s LEU 50 CO 0.19 0.27 0.67 -1.61 0.23 0.00 0.00 176.35 176.10 2nr2 s GLU 51 N -0.22 3.76 0.04 1.70 2.02 -1.26 -4.44 118.70 120.29 2nr2 s GLU 51 Ca 0.04 0.32 -0.28 0.00 0.02 0.00 0.00 54.97 55.08 2nr2 s GLU 51 Cb -0.13 -2.50 -0.17 0.00 0.10 0.00 0.00 34.13 31.43 2nr2 s GLU 51 CO 0.02 0.10 1.43 -0.44 0.02 0.00 0.00 175.26 176.40 2nr2 h ASP 52 N 1.63 -0.51 -0.24 -0.19 3.32 -1.99 -3.26 116.42 115.19 2nr2 h ASP 52 Ca -0.47 -0.06 -0.69 0.00 0.02 0.00 0.00 57.03 55.82 2nr2 h ASP 52 Cb 1.18 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2nr2 h ASP 52 CO 0.65 -0.24 3.44 0.61 -1.72 0.00 0.00 179.24 181.98 2nr2 n GLY 53 N -0.87 4.45 3.23 2.75 0.00 -1.26 -2.00 105.19 111.49 2nr2 n GLY 53 Ca -0.11 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 1.74 1.30 0.39 1.61 1.81 -1.23 -5.03 118.95 119.55 2nr2 s ARG 54 Ca 0.62 -1.68 0.08 0.00 -1.72 0.00 0.00 55.73 53.03 2nr2 s ARG 54 Cb 0.17 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.92 2nr2 s ARG 54 CO -0.07 -0.44 0.22 0.95 -0.68 0.00 0.00 175.30 175.28 2nr2 s THR 55 N -4.03 2.60 0.27 0.02 -4.23 -1.26 -1.66 115.64 107.35 2nr2 s THR 55 Ca 0.39 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2nr2 s THR 55 Cb 0.06 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 71.05 2nr2 s THR 55 CO 0.14 -0.05 1.80 -0.07 -0.54 0.00 0.00 174.62 175.90 2nr2 h LEU 56 N 1.35 0.81 -1.05 4.79 3.38 -1.48 -2.90 115.31 120.21 2nr2 h LEU 56 Ca -0.43 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.31 2nr2 h LEU 56 Cb 1.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2nr2 h LEU 56 CO 0.65 0.80 -0.12 -1.28 0.09 0.00 0.00 178.44 178.58 2nr2 h SER 57 N 0.82 0.53 -0.52 -0.43 0.87 -1.33 -0.22 113.55 113.27 2nr2 h SER 57 Ca 0.18 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2nr2 h SER 57 Cb 0.33 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2nr2 h SER 57 CO 0.00 0.68 0.27 0.44 -0.53 0.00 0.00 176.83 177.69 2nr2 h ASP 58 N 0.50 0.39 0.13 6.23 3.32 -1.78 -2.27 116.42 122.94 2nr2 h ASP 58 Ca 0.09 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2nr2 h ASP 58 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2nr2 h ASP 58 CO 0.03 0.27 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.52 2nr2 n TYR 59 N -4.87 0.00 -3.15 4.55 4.01 -1.07 -4.98 117.16 111.65 2nr2 n TYR 59 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 2nr2 n TYR 59 Cb 0.13 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.44 -7.15 -4.15 7.72 3.02 -0.17 -5.00 115.26 109.09 2nr2 n ASN 60 Ca 0.17 0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.40 2nr2 n ASN 60 Cb 0.30 -4.35 -0.15 0.00 -0.61 0.00 0.00 39.78 34.97 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 -2.65 2.61 0.82 2.41 1.01 -0.72 -5.02 121.20 119.65 2nr2 s ILE 61 Ca 0.14 -1.25 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 2nr2 s ILE 61 Cb -0.03 -2.39 0.15 0.00 0.01 0.00 0.00 42.46 40.20 2nr2 s ILE 61 CO 0.79 0.12 1.13 -1.10 0.00 0.00 0.00 174.94 175.88 2nr2 s GLN 62 N 1.25 1.31 0.48 2.79 -0.21 -1.26 -4.74 119.66 119.28 2nr2 s GLN 62 Ca -0.03 -0.74 -0.24 0.00 0.02 0.00 0.00 55.36 54.37 2nr2 s GLN 62 Cb -0.18 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 31.64 2nr2 s GLN 62 CO -0.05 -1.81 1.33 -1.59 -2.12 0.00 0.00 175.29 171.05 2nr2 s LYS 63 N -5.45 3.55 -0.61 2.91 -2.85 -1.26 -3.60 119.74 112.43 2nr2 s LYS 63 Ca 0.69 2.18 0.00 0.00 -1.00 0.00 0.00 55.97 57.84 2nr2 s LYS 63 Cb -0.05 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.23 2nr2 s LYS 63 CO 0.48 -0.85 0.00 0.39 0.10 0.00 0.00 175.35 175.47 2nr2 n GLU 64 N -0.49 -0.49 -3.69 1.78 1.02 0.73 -5.01 120.64 114.49 2nr2 n GLU 64 Ca 0.07 0.48 -0.30 0.00 -0.02 0.00 0.00 57.16 57.39 2nr2 n GLU 64 Cb 0.44 -4.30 -0.04 0.00 -0.02 0.00 0.00 31.44 27.52 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 -2.80 6.44 -0.23 1.62 0.01 -1.24 -4.88 113.70 112.63 2nr2 s SER 65 Ca 0.00 0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 2nr2 s SER 65 Cb 0.00 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2nr2 s SER 65 CO 0.00 0.02 0.01 -0.89 0.41 0.00 0.00 173.24 172.79 2nr2 s THR 66 N -1.73 3.78 -0.09 1.44 2.01 -1.26 -1.81 115.64 117.97 2nr2 s THR 66 Ca 0.40 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 2nr2 s THR 66 Cb -0.12 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 2nr2 s THR 66 CO 0.27 0.39 0.31 -0.76 -0.69 0.00 0.00 174.62 174.14 2nr2 s LEU 67 N 1.53 4.37 -0.30 4.42 1.43 -0.26 -4.81 118.68 125.06 2nr2 s LEU 67 Ca 0.06 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 2nr2 s LEU 67 Cb -0.15 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2nr2 s LEU 67 CO -0.00 0.25 0.26 -1.00 0.23 0.00 0.00 176.35 176.09 2nr2 s HIS 68 N -0.44 3.23 -0.31 0.29 3.76 0.45 0.02 115.29 122.29 2nr2 s HIS 68 Ca 0.19 0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.09 2nr2 s HIS 68 Cb -0.14 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.03 2nr2 s HIS 68 CO 0.08 -0.25 0.23 -1.17 -0.85 0.00 0.00 174.74 172.78 2nr2 s LEU 69 N 1.86 4.23 0.31 0.89 2.96 -0.52 -1.16 118.68 127.25 2nr2 s LEU 69 Ca 0.09 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2nr2 s LEU 69 Cb -0.16 -2.16 -0.06 0.00 0.50 0.00 0.00 46.19 44.31 2nr2 s LEU 69 CO 0.11 -0.14 -0.07 0.68 -1.32 0.00 0.00 176.35 175.61 2nr2 s VAL 70 N 1.78 1.89 0.16 1.68 -7.23 -0.67 -3.00 120.40 115.01 2nr2 s VAL 70 Ca 0.07 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.08 2nr2 s VAL 70 Cb -0.17 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2nr2 s VAL 70 CO 0.11 -0.24 0.35 -0.76 -0.31 0.00 0.00 175.10 174.25 2nr2 s LEU 71 N -3.52 4.27 -0.32 1.32 1.43 -1.26 -0.85 118.68 119.75 2nr2 s LEU 71 Ca 0.31 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.71 2nr2 s LEU 71 Cb 0.04 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 2nr2 s LEU 71 CO 0.14 0.02 0.17 -0.13 0.23 0.00 0.00 176.35 176.78 2nr2 s ARG 72 N -3.06 3.32 -1.38 1.70 0.52 -0.22 -4.86 118.95 114.96 2nr2 s ARG 72 Ca 0.38 -0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 54.78 2nr2 s ARG 72 Cb -0.12 -3.61 0.08 0.00 0.52 0.00 0.00 34.95 31.83 2nr2 s ARG 72 CO 0.28 -0.44 2.40 1.28 0.02 0.00 0.00 175.30 178.84 2nr2 n LEU 73 N 5.00 7.90 -4.75 2.53 4.77 -1.26 -4.83 117.00 126.35 2nr2 n LEU 73 Ca -0.14 -4.71 -0.41 0.00 -0.03 0.00 0.00 56.01 50.73 2nr2 n LEU 73 Cb 0.49 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2nr2 n LEU 73 CO 0.34 1.90 0.84 -0.60 -1.33 0.00 0.00 177.39 178.54 2nr2 s ARG 74 N -0.00 4.56 -0.40 3.23 3.52 -1.26 -4.99 118.95 123.61 2nr2 s ARG 74 Ca 0.54 1.87 0.10 0.00 -0.13 0.00 0.00 55.73 58.11 2nr2 s ARG 74 Cb 0.17 -3.20 0.34 0.00 -1.56 0.00 0.00 34.95 30.70 2nr2 s ARG 74 CO -0.07 0.08 0.84 0.41 -0.81 0.00 0.00 175.30 175.74 2nr2 n GLY 75 N 1.48 2.65 0.00 8.12 0.00 -1.26 -5.15 105.19 111.03 2nr2 n GLY 75 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93