#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 4.61 0.09 2.12 0.74 -1.26 -1.02 119.66 124.94 2nr2 s GLN 2 Ca 0.00 1.33 -0.01 0.00 0.05 0.00 0.00 55.36 56.73 2nr2 s GLN 2 Cb 0.00 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 2nr2 s GLN 2 CO 0.00 0.15 0.02 0.96 -0.55 0.00 0.00 175.29 175.87 2nr2 s ILE 3 N 0.30 0.16 -0.07 -2.34 -4.36 -1.10 0.12 121.20 113.91 2nr2 s ILE 3 Ca 0.46 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 59.06 2nr2 s ILE 3 Cb -0.22 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.71 2nr2 s ILE 3 CO 0.27 -0.72 -0.24 -0.36 0.24 0.00 0.00 174.94 174.14 2nr2 s PHE 4 N -3.98 2.40 -0.20 1.37 0.08 -0.46 -2.04 117.98 115.14 2nr2 s PHE 4 Ca 0.16 -0.82 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 2nr2 s PHE 4 Cb 0.08 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2nr2 s PHE 4 CO -0.04 -0.29 -0.01 0.08 -0.10 0.00 0.00 175.22 174.86 2nr2 s VAL 5 N 0.05 3.79 -0.24 -0.44 1.01 -0.49 -0.96 120.40 123.13 2nr2 s VAL 5 Ca -0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2nr2 s VAL 5 Cb -0.15 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2nr2 s VAL 5 CO 0.05 0.43 0.14 -0.54 0.00 0.00 0.00 175.10 175.19 2nr2 s LYS 6 N 1.08 3.99 0.36 2.72 1.02 -0.43 0.11 119.74 128.60 2nr2 s LYS 6 Ca 0.02 -0.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.57 2nr2 s LYS 6 Cb -0.14 -3.50 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 2nr2 s LYS 6 CO 0.01 0.02 0.75 0.95 -0.92 0.00 0.00 175.35 176.16 2nr2 s THR 7 N 1.16 4.72 0.17 2.17 -4.23 0.52 -0.98 115.64 119.17 2nr2 s THR 7 Ca 0.07 0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 61.28 2nr2 s THR 7 Cb -0.14 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.22 2nr2 s THR 7 CO 0.05 -0.32 1.13 -0.11 -0.54 0.00 0.00 174.62 174.83 2nr2 n LEU 8 N -0.73 -0.47 0.06 4.79 7.94 -0.93 -2.47 117.00 125.19 2nr2 n LEU 8 Ca 0.03 1.27 -0.10 0.00 -1.11 0.00 0.00 56.01 56.10 2nr2 n LEU 8 Cb 0.53 -0.29 -0.13 0.00 0.53 0.00 0.00 43.42 44.06 2nr2 n LEU 8 CO 0.44 -1.14 -0.05 0.71 -1.11 0.00 0.00 177.39 176.24 2nr2 h THR 9 N 0.00 1.49 0.00 1.96 1.35 -1.94 -3.47 112.91 112.29 2nr2 h THR 9 Ca 0.25 -3.18 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 2nr2 h THR 9 Cb 0.44 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2nr2 h THR 9 CO -0.72 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 2nr2 n GLY 10 N 1.46 -0.17 3.47 5.82 0.00 -1.03 -5.15 105.19 109.59 2nr2 n GLY 10 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 2.36 -0.21 1.61 2.20 -1.25 -4.95 119.74 119.49 2nr2 s LYS 11 Ca 0.00 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 54.75 2nr2 s LYS 11 Cb 0.00 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.98 2nr2 s LYS 11 CO 0.00 0.59 0.05 0.99 -0.36 0.00 0.00 175.35 176.62 2nr2 s THR 12 N -0.81 4.41 -0.33 3.43 2.01 -1.26 -0.36 115.64 122.73 2nr2 s THR 12 Ca 0.13 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 2nr2 s THR 12 Cb -0.11 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 2nr2 s THR 12 CO 0.02 0.40 0.51 -0.63 -0.69 0.00 0.00 174.62 174.24 2nr2 s ILE 13 N 1.02 5.03 -0.57 1.82 1.01 0.12 -4.95 121.20 124.67 2nr2 s ILE 13 Ca 0.03 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 2nr2 s ILE 13 Cb -0.14 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.47 2nr2 s ILE 13 CO 0.03 -0.15 0.76 -0.89 0.00 0.00 0.00 174.94 174.69 2nr2 s THR 14 N 2.37 4.69 0.42 2.92 2.01 -1.26 -1.39 115.64 125.39 2nr2 s THR 14 Ca 0.19 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2nr2 s THR 14 Cb -0.15 -4.47 -0.03 0.00 0.01 0.00 0.00 72.50 67.85 2nr2 s THR 14 CO 0.12 -1.09 0.67 -0.76 -0.69 0.00 0.00 174.62 172.87 2nr2 s LEU 15 N 3.09 3.81 -0.20 4.42 1.43 -0.86 -4.98 118.68 125.39 2nr2 s LEU 15 Ca 0.17 0.67 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2nr2 s LEU 15 Cb -0.20 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2nr2 s LEU 15 CO 0.10 -0.45 -0.09 -0.70 0.23 0.00 0.00 176.35 175.45 2nr2 s GLU 16 N -4.53 1.87 0.32 1.70 2.56 -1.26 -2.70 118.70 116.65 2nr2 s GLU 16 Ca 0.44 -0.81 0.00 0.00 0.00 0.00 0.00 54.97 54.60 2nr2 s GLU 16 Cb -0.10 -2.37 -0.00 0.00 2.00 0.00 0.00 34.13 33.66 2nr2 s GLU 16 CO 0.40 -0.45 0.02 1.33 -0.56 0.00 0.00 175.26 176.00 2nr2 n VAL 17 N 4.71 0.00 -4.11 3.70 0.24 -0.19 -4.82 118.33 117.86 2nr2 n VAL 17 Ca -0.14 -1.55 -0.31 0.00 -2.04 0.00 0.00 64.34 60.31 2nr2 n VAL 17 Cb 0.46 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 2nr2 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2nr2 s GLU 18 N -3.15 2.74 0.42 7.34 2.02 -1.26 -0.16 118.70 126.65 2nr2 s GLU 18 Ca 0.03 -0.73 0.23 0.00 0.02 0.00 0.00 54.97 54.51 2nr2 s GLU 18 Cb 0.00 -2.65 0.81 0.00 0.10 0.00 0.00 34.13 32.40 2nr2 s GLU 18 CO 0.02 0.57 1.78 -1.00 0.02 0.00 0.00 175.26 176.65 2nr2 h PRO 19 N 3.52 0.00 -0.58 0.39 0.13 -1.95 -2.89 132.00 130.62 2nr2 h PRO 19 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2nr2 h PRO 19 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2nr2 h PRO 19 CO 0.62 0.26 0.00 0.43 -0.23 0.00 0.00 178.00 179.08 2nr2 n SER 20 N -3.39 4.83 -4.86 1.44 7.64 -1.26 -2.49 113.62 115.53 2nr2 n SER 20 Ca 0.00 -2.60 -0.31 0.00 1.01 0.00 0.00 58.87 56.97 2nr2 n SER 20 Cb 0.46 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 2nr2 n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2nr2 s ASP 21 N -1.00 6.40 0.54 6.43 2.15 -1.10 -4.85 116.67 125.25 2nr2 s ASP 21 Ca 0.50 1.43 -0.06 0.00 0.43 0.00 0.00 52.55 54.85 2nr2 s ASP 21 Cb 0.34 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 2nr2 s ASP 21 CO 0.21 -0.72 0.85 0.42 -0.17 0.00 0.00 175.17 175.76 2nr2 s THR 22 N -2.89 4.23 0.15 1.71 -4.23 -1.26 -1.81 115.64 111.54 2nr2 s THR 22 Ca 0.56 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 61.08 2nr2 s THR 22 Cb -0.10 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.04 2nr2 s THR 22 CO 0.43 -0.65 1.47 0.40 -0.54 0.00 0.00 174.62 175.73 2nr2 h ILE 23 N 0.00 1.28 -0.46 2.99 1.08 -1.36 -0.54 117.51 120.50 2nr2 h ILE 23 Ca -0.46 -1.65 0.09 0.00 -0.39 0.00 0.00 64.86 62.45 2nr2 h ILE 23 Cb 1.23 1.53 -0.10 0.00 -3.07 0.00 0.00 36.82 36.42 2nr2 h ILE 23 CO 0.61 0.54 -0.32 -0.08 -0.69 0.00 0.00 178.15 178.21 2nr2 h GLU 24 N 0.66 -0.21 -0.61 2.37 4.81 -1.68 -1.88 114.58 118.05 2nr2 h GLU 24 Ca 0.04 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2nr2 h GLU 24 Cb 1.05 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 2nr2 h GLU 24 CO 0.10 -0.14 0.27 -0.97 -0.73 0.00 0.00 179.01 177.54 2nr2 h ASN 25 N -0.21 0.79 -0.73 1.04 -1.24 -1.75 -2.92 115.58 110.55 2nr2 h ASN 25 Ca 0.19 -0.09 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 2nr2 h ASN 25 Cb 0.54 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 2nr2 h ASN 25 CO -0.58 0.69 0.28 0.58 -1.29 0.00 0.00 177.43 177.11 2nr2 h VAL 26 N 0.86 1.25 -0.15 2.57 2.07 -0.59 -0.31 116.25 121.95 2nr2 h VAL 26 Ca 0.21 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2nr2 h VAL 26 Cb 0.13 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2nr2 h VAL 26 CO -0.02 0.33 -0.22 0.11 0.02 0.00 0.00 177.57 177.79 2nr2 h LYS 27 N 1.09 0.26 -0.09 1.57 1.57 -1.36 -1.22 116.57 118.40 2nr2 h LYS 27 Ca 0.25 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2nr2 h LYS 27 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2nr2 h LYS 27 CO -0.02 0.48 -0.30 0.00 -0.57 0.00 0.00 179.45 179.04 2nr2 h ALA 28 N 1.54 1.33 0.00 3.86 0.00 -1.28 -1.10 119.26 123.61 2nr2 h ALA 28 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2nr2 h ALA 28 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2nr2 h ALA 28 CO 0.04 0.47 -0.28 -0.22 0.00 0.00 0.00 179.25 179.25 2nr2 h LYS 29 N 0.15 0.00 0.00 0.00 3.64 -0.30 -0.61 116.57 119.45 2nr2 h LYS 29 Ca 0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2nr2 h LYS 29 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2nr2 h LYS 29 CO 0.04 0.28 -0.63 0.82 -2.27 0.00 0.00 179.45 177.70 2nr2 h ILE 30 N 0.00 1.28 -0.27 2.00 2.04 -0.45 -1.74 117.51 120.36 2nr2 h ILE 30 Ca -0.00 -2.28 -0.17 0.00 1.00 0.00 0.00 64.86 63.41 2nr2 h ILE 30 Cb 0.63 2.29 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2nr2 h ILE 30 CO 0.04 0.61 -0.50 -0.61 0.00 0.00 0.00 178.15 177.69 2nr2 h GLN 31 N 0.00 0.76 -0.52 2.37 4.15 -1.01 0.23 115.11 121.08 2nr2 h GLN 31 Ca -0.01 -0.46 -0.05 0.00 0.77 0.00 0.00 58.65 58.90 2nr2 h GLN 31 Cb 1.24 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.95 2nr2 h GLN 31 CO 0.08 1.08 0.12 0.22 -1.93 0.00 0.00 178.83 178.40 2nr2 h ASP 32 N 0.60 0.75 0.00 -0.69 3.58 -1.06 -1.68 116.42 117.92 2nr2 h ASP 32 Ca 0.02 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2nr2 h ASP 32 Cb 1.08 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2nr2 h ASP 32 CO 0.11 0.75 -0.54 0.50 -2.88 0.00 0.00 179.24 177.17 2nr2 h LYS 33 N 0.78 0.00 0.00 0.28 1.63 -1.12 -3.43 116.57 114.71 2nr2 h LYS 33 Ca 0.17 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.56 2nr2 h LYS 33 Cb 0.30 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.87 2nr2 h LYS 33 CO 0.00 0.66 -2.46 0.39 -3.45 0.00 0.00 179.45 174.59 2nr2 n GLU 34 N -4.57 0.60 0.00 1.90 -0.58 0.77 -5.03 120.64 113.73 2nr2 n GLU 34 Ca -0.16 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2nr2 n GLU 34 Cb 0.44 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.91 0.97 3.72 0.62 0.00 -0.63 -5.01 105.19 106.77 2nr2 n GLY 35 Ca -0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 3.44 0.56 -0.61 1.01 -1.26 -4.93 121.20 117.40 2nr2 s ILE 36 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 2nr2 s ILE 36 Cb 0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2nr2 s ILE 36 CO 0.00 0.09 1.03 -2.16 0.00 0.00 0.00 174.94 173.90 2nr2 s PRO 37 N 0.90 3.57 0.00 2.79 0.04 -1.26 -3.96 135.00 137.08 2nr2 s PRO 37 Ca 0.62 1.13 0.18 0.00 0.04 0.00 0.00 61.00 62.96 2nr2 s PRO 37 Cb -0.35 -2.07 0.86 0.00 0.04 0.00 0.00 34.50 32.97 2nr2 s PRO 37 CO 0.31 -0.60 1.54 -0.35 0.04 0.00 0.00 177.00 177.95 2nr2 n PRO 38 N -1.80 0.19 0.00 0.56 -0.04 -1.26 -1.72 135.00 130.92 2nr2 n PRO 38 Ca 0.08 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2nr2 n PRO 38 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2nr2 h ASP 39 N 0.00 0.53 1.30 3.54 3.32 -1.90 -3.10 116.42 120.11 2nr2 h ASP 39 Ca 0.00 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 2nr2 h ASP 39 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2nr2 h ASP 39 CO 0.00 0.78 -0.72 1.56 -1.72 0.00 0.00 179.24 179.14 2nr2 h GLN 40 N 0.46 0.00 -5.93 3.56 4.20 -1.54 -3.40 115.11 112.45 2nr2 h GLN 40 Ca 0.06 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.18 2nr2 h GLN 40 Cb 0.70 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.40 2nr2 h GLN 40 CO 0.05 0.17 0.60 -0.65 -0.67 0.00 0.00 178.83 178.33 2nr2 s GLN 41 N -3.14 4.16 -0.25 1.46 -0.21 -1.17 -0.70 119.66 119.80 2nr2 s GLN 41 Ca 0.02 1.03 -0.07 0.00 0.02 0.00 0.00 55.36 56.36 2nr2 s GLN 41 Cb 0.08 -3.67 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 2nr2 s GLN 41 CO 0.75 -0.62 0.05 0.50 -2.12 0.00 0.00 175.29 173.85 2nr2 s ARG 42 N 3.06 3.47 -0.19 2.91 3.52 -0.46 -4.97 118.95 126.28 2nr2 s ARG 42 Ca 0.38 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.37 2nr2 s ARG 42 Cb -0.15 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 2nr2 s ARG 42 CO 0.09 -0.25 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.73 2nr2 s LEU 43 N 1.56 2.73 -0.05 -0.88 1.43 -1.26 -1.02 118.68 121.19 2nr2 s LEU 43 Ca 0.05 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2nr2 s LEU 43 Cb -0.15 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2nr2 s LEU 43 CO 0.02 0.03 -0.25 -0.63 0.23 0.00 0.00 176.35 175.75 2nr2 s ILE 44 N 1.16 2.03 -0.19 -0.59 1.01 -0.23 -2.01 121.20 122.39 2nr2 s ILE 44 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2nr2 s ILE 44 Cb -0.14 -1.71 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2nr2 s ILE 44 CO -0.03 0.57 -0.02 0.12 0.00 0.00 0.00 174.94 175.58 2nr2 s PHE 45 N -0.24 1.60 0.00 3.97 5.36 -1.19 -0.61 117.98 126.87 2nr2 s PHE 45 Ca -0.01 -1.14 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 2nr2 s PHE 45 Cb -0.13 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 41.29 2nr2 s PHE 45 CO 0.03 -0.64 0.00 0.00 -1.46 0.00 0.00 175.22 173.14 2nr2 n ALA 46 N 4.89 0.00 0.05 11.12 0.00 -1.26 -3.58 120.51 131.74 2nr2 n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2nr2 n ALA 46 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.06 3.84 0.00 0.00 -1.26 -5.10 105.19 102.60 2nr2 n GLY 47 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.78 3.99 0.14 1.61 1.02 -1.23 -5.06 119.74 118.42 2nr2 s LYS 48 Ca 0.00 1.00 -0.27 0.00 0.02 0.00 0.00 55.97 56.72 2nr2 s LYS 48 Cb 0.00 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.10 2nr2 s LYS 48 CO 0.00 -0.23 0.83 -1.14 -0.92 0.00 0.00 175.35 173.89 2nr2 s GLN 49 N -3.88 4.62 -0.21 1.68 0.74 -1.26 -3.20 119.66 118.14 2nr2 s GLN 49 Ca 0.60 1.23 -0.25 0.00 0.05 0.00 0.00 55.36 56.99 2nr2 s GLN 49 Cb -0.10 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.69 2nr2 s GLN 49 CO 0.28 0.43 0.82 -0.51 -0.55 0.00 0.00 175.29 175.76 2nr2 s LEU 50 N -0.67 4.12 0.90 3.68 1.43 -0.85 -5.02 118.68 122.26 2nr2 s LEU 50 Ca 0.39 1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 54.44 2nr2 s LEU 50 Cb -0.23 -3.20 0.14 0.00 0.03 0.00 0.00 46.19 42.94 2nr2 s LEU 50 CO 0.27 -0.46 1.22 -1.83 0.23 0.00 0.00 176.35 175.78 2nr2 s GLU 51 N 2.54 1.19 -0.00 1.70 -1.05 -1.26 -4.82 118.70 116.98 2nr2 s GLU 51 Ca 0.36 -0.05 -0.23 0.00 -0.15 0.00 0.00 54.97 54.90 2nr2 s GLU 51 Cb -0.16 -1.88 -0.13 0.00 -0.44 0.00 0.00 34.13 31.52 2nr2 s GLU 51 CO 0.09 -2.10 0.99 -0.44 0.95 0.00 0.00 175.26 174.75 2nr2 h ASP 52 N -1.42 -0.60 -1.80 0.83 3.32 -1.96 -3.34 116.42 111.44 2nr2 h ASP 52 Ca -0.46 -0.03 -0.75 0.00 0.02 0.00 0.00 57.03 55.81 2nr2 h ASP 52 Cb 1.29 0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.77 2nr2 h ASP 52 CO 0.54 -0.20 1.28 0.61 -1.72 0.00 0.00 179.24 179.75 2nr2 n GLY 53 N -0.24 5.58 3.53 2.75 0.00 -1.26 -2.18 105.19 113.37 2nr2 n GLY 53 Ca -0.10 -2.35 -0.25 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.24 1.79 0.41 1.61 1.81 -1.25 -5.03 118.95 115.04 2nr2 s ARG 54 Ca 0.48 -1.98 0.08 0.00 -1.72 0.00 0.00 55.73 52.58 2nr2 s ARG 54 Cb 0.27 -1.35 0.00 0.00 -0.45 0.00 0.00 34.95 33.42 2nr2 s ARG 54 CO -0.20 -0.06 0.51 0.95 -0.68 0.00 0.00 175.30 175.83 2nr2 s THR 55 N -2.92 3.07 0.21 0.02 -4.23 -1.26 -1.46 115.64 109.08 2nr2 s THR 55 Ca 0.34 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 2nr2 s THR 55 Cb 0.08 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 71.02 2nr2 s THR 55 CO 0.16 -0.02 1.77 -0.07 -0.54 0.00 0.00 174.62 175.91 2nr2 h LEU 56 N 0.77 0.35 -1.55 4.79 3.38 -1.50 -2.94 115.31 118.62 2nr2 h LEU 56 Ca -0.41 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2nr2 h LEU 56 Cb 1.27 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2nr2 h LEU 56 CO 0.49 0.21 -0.17 0.77 0.09 0.00 0.00 178.44 179.83 2nr2 h SER 57 N 0.51 0.00 0.78 -0.43 4.64 -1.71 -2.21 113.55 115.13 2nr2 h SER 57 Ca 0.32 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.58 2nr2 h SER 57 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2nr2 h SER 57 CO -0.27 0.17 -0.27 0.44 -0.87 0.00 0.00 176.83 176.03 2nr2 h ASP 58 N 0.00 0.00 0.13 4.97 3.32 -1.83 -2.50 116.42 120.51 2nr2 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nr2 h ASP 58 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2nr2 h ASP 58 CO 0.02 0.27 -0.53 -1.22 -1.72 0.00 0.00 179.24 176.07 2nr2 n TYR 59 N -3.51 0.00 -2.55 4.55 4.01 -0.89 -4.95 117.16 113.81 2nr2 n TYR 59 Ca -0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2nr2 n TYR 59 Cb 0.43 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.72 -2.53 -4.49 7.72 5.15 -0.94 -5.00 115.26 114.45 2nr2 n ASN 60 Ca 0.08 -0.10 -0.43 0.00 -0.60 0.00 0.00 54.58 53.53 2nr2 n ASN 60 Cb 0.39 -1.29 -0.06 0.00 -0.53 0.00 0.00 39.78 38.28 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2nr2 s ILE 61 N -3.06 4.77 0.05 -1.44 1.01 -0.88 -5.00 121.20 116.65 2nr2 s ILE 61 Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2nr2 s ILE 61 Cb -0.03 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.14 2nr2 s ILE 61 CO 0.13 -0.78 0.06 0.00 0.00 0.00 0.00 174.94 174.35 2nr2 n GLN 62 N 6.43 1.02 -1.95 2.79 6.02 -1.26 -4.50 117.38 125.92 2nr2 n GLN 62 Ca -0.03 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.00 56.29 2nr2 n GLN 62 Cb 0.47 -0.01 -0.00 0.00 1.02 0.00 0.00 30.24 31.71 2nr2 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2nr2 s LYS 63 N -2.22 3.97 -1.20 -1.09 -2.85 -1.26 -2.91 119.74 112.17 2nr2 s LYS 63 Ca 0.05 2.30 0.00 0.00 -1.00 0.00 0.00 55.97 57.32 2nr2 s LYS 63 Cb -0.00 -2.81 0.00 0.00 -2.06 0.00 0.00 37.83 32.96 2nr2 s LYS 63 CO 0.03 -0.55 0.00 0.39 0.10 0.00 0.00 175.35 175.33 2nr2 n GLU 64 N 0.18 -0.81 -2.83 1.78 1.02 0.12 -4.97 120.64 115.13 2nr2 n GLU 64 Ca 0.03 0.88 -0.27 0.00 -0.02 0.00 0.00 57.16 57.78 2nr2 n GLU 64 Cb 0.42 -4.88 -0.01 0.00 -0.02 0.00 0.00 31.44 26.96 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 6.30 -0.33 1.62 0.01 -1.15 -4.83 113.70 112.48 2nr2 s SER 65 Ca 0.00 0.84 -0.12 0.00 1.31 0.00 0.00 55.95 57.98 2nr2 s SER 65 Cb 0.00 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 2nr2 s SER 65 CO 0.00 -0.49 0.21 -0.89 0.41 0.00 0.00 173.24 172.48 2nr2 s THR 66 N -2.60 5.08 0.02 1.44 2.01 -1.26 -1.36 115.64 118.97 2nr2 s THR 66 Ca 0.46 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.22 2nr2 s THR 66 Cb -0.10 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2nr2 s THR 66 CO 0.41 0.03 0.07 -0.76 -0.69 0.00 0.00 174.62 173.68 2nr2 s LEU 67 N 1.69 3.80 -0.19 4.42 1.02 -0.13 -4.73 118.68 124.56 2nr2 s LEU 67 Ca 0.06 0.07 -0.09 0.00 0.02 0.00 0.00 54.13 54.19 2nr2 s LEU 67 Cb -0.17 -2.30 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 2nr2 s LEU 67 CO 0.09 0.24 0.10 -1.00 0.02 0.00 0.00 176.35 175.80 2nr2 s HIS 68 N -1.24 3.35 -0.31 0.29 3.76 0.22 -1.31 115.29 120.05 2nr2 s HIS 68 Ca 0.24 0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 55.38 2nr2 s HIS 68 Cb -0.12 -2.11 0.06 0.00 1.11 0.00 0.00 32.58 31.52 2nr2 s HIS 68 CO 0.16 0.26 0.02 -1.17 -0.85 0.00 0.00 174.74 173.16 2nr2 s LEU 69 N 0.27 4.07 -0.16 0.89 2.96 -0.15 -1.06 118.68 125.50 2nr2 s LEU 69 Ca 0.06 -1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 52.42 2nr2 s LEU 69 Cb -0.12 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2nr2 s LEU 69 CO -0.01 -0.30 0.29 -0.69 -1.32 0.00 0.00 176.35 174.33 2nr2 s VAL 70 N 1.21 5.31 -0.12 1.68 1.01 -0.19 -2.19 120.40 127.11 2nr2 s VAL 70 Ca -0.03 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 2nr2 s VAL 70 Cb -0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2nr2 s VAL 70 CO -0.02 0.39 0.44 -0.76 0.00 0.00 0.00 175.10 175.15 2nr2 s LEU 71 N 0.45 4.28 0.00 3.92 1.43 -1.26 -1.35 118.68 126.16 2nr2 s LEU 71 Ca 0.16 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2nr2 s LEU 71 Cb -0.13 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2nr2 s LEU 71 CO 0.04 0.04 0.00 -2.11 0.23 0.00 0.00 176.35 174.55 2nr2 n ARG 72 N 3.53 2.51 0.03 1.70 1.85 0.12 -4.98 116.66 121.42 2nr2 n ARG 72 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.75 2nr2 n ARG 72 Cb 0.52 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.92 2nr2 n ARG 72 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2nr2 n LEU 73 N 0.00 1.11 0.00 2.89 4.32 -1.26 -4.42 117.00 119.64 2nr2 n LEU 73 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2nr2 n LEU 73 Cb 0.00 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2nr2 n LEU 73 CO 0.00 -0.63 0.00 -1.14 -1.22 0.00 0.00 177.39 174.40 2nr2 n ARG 74 N -3.56 0.00 0.00 3.23 3.00 -1.26 -4.41 116.66 113.66 2nr2 n ARG 74 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2nr2 n ARG 74 Cb 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 32.46 32.28 2nr2 n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nr2 n GLY 75 N 1.96 0.16 0.00 5.14 0.00 -1.26 -4.67 105.19 106.52 2nr2 n GLY 75 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93