#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 3.33 0.33 3.17 0.74 -1.26 -1.98 119.66 123.99 2nr2 s GLN 2 Ca 0.00 -0.29 0.08 0.00 0.05 0.00 0.00 55.36 55.21 2nr2 s GLN 2 Cb 0.00 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 2nr2 s GLN 2 CO 0.00 -1.32 0.12 0.96 -0.55 0.00 0.00 175.29 174.50 2nr2 s ILE 3 N 3.54 3.10 -0.13 -2.34 -4.36 -0.30 -4.37 121.20 116.34 2nr2 s ILE 3 Ca 0.28 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 58.97 2nr2 s ILE 3 Cb -0.13 -2.96 0.01 0.00 1.25 0.00 0.00 42.46 40.62 2nr2 s ILE 3 CO 0.20 -0.21 -0.22 -0.36 0.24 0.00 0.00 174.94 174.58 2nr2 s PHE 4 N -2.41 2.60 -0.32 1.37 0.08 -0.44 -0.65 117.98 118.21 2nr2 s PHE 4 Ca 0.37 -1.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.09 2nr2 s PHE 4 Cb -0.03 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2nr2 s PHE 4 CO 0.22 -0.57 0.09 0.08 -0.10 0.00 0.00 175.22 174.94 2nr2 s VAL 5 N 0.75 3.74 0.31 -0.44 1.01 0.27 -0.34 120.40 125.70 2nr2 s VAL 5 Ca -0.09 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 2nr2 s VAL 5 Cb -0.16 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2nr2 s VAL 5 CO -0.00 -0.09 1.17 -0.54 0.00 0.00 0.00 175.10 175.64 2nr2 s LYS 6 N 1.42 4.50 0.80 2.72 -0.14 0.12 -0.41 119.74 128.74 2nr2 s LYS 6 Ca -0.01 1.93 -0.06 0.00 -1.36 0.00 0.00 55.97 56.48 2nr2 s LYS 6 Cb -0.19 -3.10 0.15 0.00 -1.68 0.00 0.00 37.83 33.01 2nr2 s LYS 6 CO 0.02 0.04 1.10 0.95 -0.76 0.00 0.00 175.35 176.70 2nr2 s THR 7 N -1.18 2.09 -0.13 2.17 -4.23 -0.47 0.06 115.64 113.95 2nr2 s THR 7 Ca 0.47 -0.40 -0.25 0.00 -1.18 0.00 0.00 61.69 60.33 2nr2 s THR 7 Cb -0.34 -2.69 -0.22 0.00 1.34 0.00 0.00 72.50 70.58 2nr2 s THR 7 CO 0.44 0.00 0.70 0.25 -0.54 0.00 0.00 174.62 175.47 2nr2 h LEU 8 N -0.89 -0.00 0.59 4.79 5.85 -1.88 -3.41 115.31 120.35 2nr2 h LEU 8 Ca -0.39 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.45 2nr2 h LEU 8 Cb 1.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.29 2nr2 h LEU 8 CO 0.40 0.91 -0.28 0.71 -0.34 0.00 0.00 178.44 179.84 2nr2 h THR 9 N -0.98 0.24 0.00 1.05 1.35 -1.96 -3.47 112.91 109.15 2nr2 h THR 9 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2nr2 h THR 9 Cb 0.85 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2nr2 h THR 9 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2nr2 n GLY 10 N -0.62 0.00 3.13 5.82 0.00 -1.26 -5.17 105.19 107.09 2nr2 n GLY 10 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.73 -0.21 1.61 2.20 -1.26 -5.03 119.74 117.78 2nr2 s LYS 11 Ca 0.00 -1.14 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 2nr2 s LYS 11 Cb 0.00 -0.23 0.05 0.00 -1.51 0.00 0.00 37.83 36.15 2nr2 s LYS 11 CO 0.00 0.00 -0.05 0.99 -0.36 0.00 0.00 175.35 175.94 2nr2 s THR 12 N -2.89 1.33 -0.27 3.43 2.01 -1.26 -1.37 115.64 116.62 2nr2 s THR 12 Ca 0.05 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.83 2nr2 s THR 12 Cb 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2nr2 s THR 12 CO -0.03 -0.04 0.70 -0.63 -0.69 0.00 0.00 174.62 173.93 2nr2 s ILE 13 N 1.50 4.91 -0.26 1.82 1.01 0.45 -4.91 121.20 125.72 2nr2 s ILE 13 Ca -0.03 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 2nr2 s ILE 13 Cb -0.18 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 2nr2 s ILE 13 CO -0.07 -0.08 0.23 -0.89 0.00 0.00 0.00 174.94 174.13 2nr2 s THR 14 N 2.68 5.29 0.16 2.92 2.01 -1.26 -0.57 115.64 126.88 2nr2 s THR 14 Ca 0.29 0.29 0.09 0.00 0.31 0.00 0.00 61.69 62.67 2nr2 s THR 14 Cb -0.15 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2nr2 s THR 14 CO 0.10 0.26 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.33 2nr2 s LEU 15 N 1.55 2.42 -0.32 4.42 1.43 0.17 -4.97 118.68 123.38 2nr2 s LEU 15 Ca 0.10 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2nr2 s LEU 15 Cb -0.15 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.19 2nr2 s LEU 15 CO 0.08 0.01 0.08 -0.70 0.23 0.00 0.00 176.35 176.06 2nr2 s GLU 16 N -2.65 2.74 0.41 1.70 2.56 -1.26 -1.15 118.70 121.06 2nr2 s GLU 16 Ca 0.16 -1.09 0.07 0.00 0.00 0.00 0.00 54.97 54.10 2nr2 s GLU 16 Cb -0.07 -3.38 -0.08 0.00 2.00 0.00 0.00 34.13 32.60 2nr2 s GLU 16 CO 0.07 -0.59 0.01 0.14 -0.56 0.00 0.00 175.26 174.33 2nr2 s VAL 17 N 1.41 1.94 0.22 3.70 -7.23 -0.84 -4.87 120.40 114.75 2nr2 s VAL 17 Ca -0.01 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2nr2 s VAL 17 Cb -0.19 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 2nr2 s VAL 17 CO 0.02 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 173.03 2nr2 s GLU 18 N -3.72 1.77 0.36 4.82 2.02 -1.26 0.58 118.70 123.27 2nr2 s GLU 18 Ca 0.34 -1.53 0.27 0.00 0.02 0.00 0.00 54.97 54.07 2nr2 s GLU 18 Cb 0.10 -1.93 1.17 0.00 0.10 0.00 0.00 34.13 33.57 2nr2 s GLU 18 CO 0.17 0.38 1.81 -1.00 0.02 0.00 0.00 175.26 176.65 2nr2 h PRO 19 N 2.72 0.00 0.00 0.39 0.13 -1.96 -2.15 132.00 131.13 2nr2 h PRO 19 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2nr2 h PRO 19 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2nr2 h PRO 19 CO 0.54 0.00 -0.29 0.43 -0.23 0.00 0.00 178.00 178.45 2nr2 n SER 20 N -2.50 0.41 -4.76 1.44 7.64 -1.26 -2.40 113.62 112.18 2nr2 n SER 20 Ca 0.01 0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 2nr2 n SER 20 Cb 0.22 -0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -3.42 6.91 0.55 6.43 1.01 -0.81 -4.85 116.67 122.49 2nr2 s ASP 21 Ca 0.11 2.56 -0.19 0.00 0.71 0.00 0.00 52.55 55.74 2nr2 s ASP 21 Cb 0.17 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.40 2nr2 s ASP 21 CO 0.63 -0.43 1.10 0.42 0.21 0.00 0.00 175.17 177.10 2nr2 s THR 22 N -1.04 3.36 0.35 -1.27 -4.23 -1.26 -2.98 115.64 108.57 2nr2 s THR 22 Ca 0.48 0.81 0.04 0.00 -1.18 0.00 0.00 61.69 61.84 2nr2 s THR 22 Cb -0.37 -3.31 0.21 0.00 1.34 0.00 0.00 72.50 70.36 2nr2 s THR 22 CO 0.49 -0.22 1.94 0.40 -0.54 0.00 0.00 174.62 176.69 2nr2 h ILE 23 N 1.10 1.17 -0.59 2.99 2.04 -0.88 -0.51 117.51 122.83 2nr2 h ILE 23 Ca -0.49 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 64.93 2nr2 h ILE 23 Cb 1.25 0.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 2nr2 h ILE 23 CO 0.57 0.21 0.17 -0.08 0.00 0.00 0.00 178.15 179.02 2nr2 h GLU 24 N 0.63 0.31 -0.50 2.37 4.81 -0.95 -2.24 114.58 119.01 2nr2 h GLU 24 Ca 0.15 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2nr2 h GLU 24 Cb 0.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2nr2 h GLU 24 CO -0.01 0.21 0.23 -0.91 -0.73 0.00 0.00 179.01 177.79 2nr2 h ASN 25 N 0.32 0.64 -0.11 1.04 2.35 -1.43 -1.23 115.58 117.17 2nr2 h ASN 25 Ca 0.30 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 2nr2 h ASN 25 Cb 0.41 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2nr2 h ASN 25 CO -0.35 0.55 -0.35 0.58 -1.65 0.00 0.00 177.43 176.21 2nr2 h VAL 26 N 0.71 1.29 -0.14 2.81 2.07 -0.96 -1.81 116.25 120.22 2nr2 h VAL 26 Ca 0.18 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.23 2nr2 h VAL 26 Cb 0.10 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2nr2 h VAL 26 CO -0.02 0.48 0.10 0.11 0.02 0.00 0.00 177.57 178.25 2nr2 h LYS 27 N 0.51 0.06 -0.09 1.57 1.57 -1.01 -2.54 116.57 116.64 2nr2 h LYS 27 Ca 0.05 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.60 2nr2 h LYS 27 Cb 0.85 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2nr2 h LYS 27 CO 0.07 0.04 -0.84 0.00 -0.57 0.00 0.00 179.45 178.15 2nr2 h ALA 28 N 1.93 0.33 -0.96 3.86 0.00 -0.59 -2.49 119.26 121.34 2nr2 h ALA 28 Ca 0.06 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.40 2nr2 h ALA 28 Cb 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2nr2 h ALA 28 CO -0.01 0.71 0.62 -0.22 0.00 0.00 0.00 179.25 180.36 2nr2 h LYS 29 N 0.43 1.08 -1.01 0.00 3.64 -1.27 0.20 116.57 119.64 2nr2 h LYS 29 Ca -0.07 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2nr2 h LYS 29 Cb 1.47 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 2nr2 h LYS 29 CO 0.16 0.71 0.65 0.82 -2.27 0.00 0.00 179.45 179.53 2nr2 h ILE 30 N 1.11 1.09 -0.57 2.00 2.04 -1.42 -2.29 117.51 119.48 2nr2 h ILE 30 Ca 0.42 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 2nr2 h ILE 30 Cb 0.19 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 2nr2 h ILE 30 CO -0.16 0.22 -0.07 -0.61 0.00 0.00 0.00 178.15 177.52 2nr2 h GLN 31 N 1.18 1.05 -0.78 2.37 4.15 -0.94 0.34 115.11 122.49 2nr2 h GLN 31 Ca 0.43 -0.37 0.13 0.00 0.77 0.00 0.00 58.65 59.61 2nr2 h GLN 31 Cb 0.16 -0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 2nr2 h GLN 31 CO -0.17 1.07 0.37 0.22 -1.93 0.00 0.00 178.83 178.39 2nr2 h ASP 32 N 0.94 0.45 0.04 -0.69 3.58 -0.15 -0.40 116.42 120.19 2nr2 h ASP 32 Ca 0.15 0.08 -0.21 0.00 0.42 0.00 0.00 57.03 57.48 2nr2 h ASP 32 Cb 0.64 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2nr2 h ASP 32 CO 0.04 0.21 -1.13 0.11 -2.88 0.00 0.00 179.24 175.60 2nr2 h LYS 33 N 0.58 0.09 0.00 0.28 1.57 -1.14 -3.43 116.57 114.52 2nr2 h LYS 33 Ca 0.41 -0.15 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 2nr2 h LYS 33 Cb 0.54 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2nr2 h LYS 33 CO -0.34 1.07 -1.67 0.39 -0.57 0.00 0.00 179.45 178.33 2nr2 n GLU 34 N -4.26 0.56 0.00 3.15 -0.58 0.12 -5.07 120.64 114.56 2nr2 n GLU 34 Ca -0.26 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2nr2 n GLU 34 Cb 0.73 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 1.37 0.66 2.94 0.62 0.00 -0.16 -5.00 105.19 105.62 2nr2 n GLY 35 Ca -0.32 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.90 0.91 0.39 -0.61 1.01 -1.26 -5.02 121.20 115.73 2nr2 s ILE 36 Ca 0.00 -0.30 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 2nr2 s ILE 36 Cb 0.00 -0.89 -0.10 0.00 0.01 0.00 0.00 42.46 41.47 2nr2 s ILE 36 CO 0.00 0.32 1.46 -2.84 0.00 0.00 0.00 174.94 173.89 2nr2 s PRO 37 N 1.12 4.01 0.62 2.79 0.02 -1.26 -4.09 135.00 138.20 2nr2 s PRO 37 Ca -0.07 2.52 0.30 0.00 0.02 0.00 0.00 61.00 63.77 2nr2 s PRO 37 Cb -0.14 -2.89 1.67 0.00 0.02 0.00 0.00 34.50 33.16 2nr2 s PRO 37 CO -0.01 -0.60 2.03 -1.35 -0.33 0.00 0.00 177.00 176.74 2nr2 h PRO 38 N 2.83 0.00 0.00 5.54 0.11 -1.93 -1.20 132.00 137.35 2nr2 h PRO 38 Ca -0.51 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2nr2 h PRO 38 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nr2 h PRO 38 CO 0.63 0.00 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.84 2nr2 h ASP 39 N 0.00 0.00 1.74 -2.05 3.32 -1.96 -2.18 116.42 115.29 2nr2 h ASP 39 Ca 0.09 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2nr2 h ASP 39 Cb 0.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 2nr2 h ASP 39 CO -0.00 0.14 -0.27 1.56 -1.72 0.00 0.00 179.24 178.95 2nr2 h GLN 40 N 0.00 0.00 -5.66 3.56 4.20 -1.53 -3.46 115.11 112.22 2nr2 h GLN 40 Ca -0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 2nr2 h GLN 40 Cb 0.55 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.25 2nr2 h GLN 40 CO 0.02 0.09 -0.37 -0.65 -0.67 0.00 0.00 178.83 177.24 2nr2 s GLN 41 N -3.18 3.83 -0.26 1.46 -0.21 -0.82 -0.13 119.66 120.34 2nr2 s GLN 41 Ca 0.05 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.50 2nr2 s GLN 41 Cb 0.06 -3.28 0.07 0.00 1.00 0.00 0.00 33.01 30.86 2nr2 s GLN 41 CO 0.70 0.58 -0.05 0.50 -2.12 0.00 0.00 175.29 174.91 2nr2 s ARG 42 N -0.56 1.72 0.28 2.91 3.52 0.55 -4.96 118.95 122.40 2nr2 s ARG 42 Ca 0.17 -1.21 -0.29 0.00 -0.13 0.00 0.00 55.73 54.27 2nr2 s ARG 42 Cb -0.13 -2.72 -0.10 0.00 -1.56 0.00 0.00 34.95 30.45 2nr2 s ARG 42 CO 0.06 -0.66 1.19 -0.51 -0.81 0.00 0.00 175.30 174.57 2nr2 s LEU 43 N 1.26 4.49 0.06 -0.88 1.43 -1.26 -2.58 118.68 121.20 2nr2 s LEU 43 Ca -0.04 2.40 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 2nr2 s LEU 43 Cb -0.19 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2nr2 s LEU 43 CO -0.07 -0.32 -0.18 -0.63 0.23 0.00 0.00 176.35 175.38 2nr2 s ILE 44 N -0.92 1.41 -0.06 -0.59 -1.09 -0.40 -2.13 121.20 117.42 2nr2 s ILE 44 Ca 0.48 -1.21 -0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2nr2 s ILE 44 Cb -0.35 -1.26 0.03 0.00 -1.58 0.00 0.00 42.46 39.30 2nr2 s ILE 44 CO 0.44 0.03 0.14 0.12 -1.23 0.00 0.00 174.94 174.43 2nr2 s PHE 45 N -0.95 -0.15 0.00 3.97 5.36 -1.15 -1.56 117.98 123.50 2nr2 s PHE 45 Ca 0.04 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 2nr2 s PHE 45 Cb -0.09 -0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 2nr2 s PHE 45 CO 0.02 -0.13 0.00 0.00 -1.46 0.00 0.00 175.22 173.65 2nr2 n ALA 46 N 3.82 0.00 -1.94 11.12 0.00 -1.26 -1.63 120.51 130.62 2nr2 n ALA 46 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2nr2 n ALA 46 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.68 3.44 0.00 0.00 -1.26 -5.13 105.19 102.93 2nr2 n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.59 0.42 1.61 -2.85 -0.65 -5.15 119.74 114.72 2nr2 s LYS 48 Ca 0.00 -1.84 -0.00 0.00 -1.00 0.00 0.00 55.97 53.13 2nr2 s LYS 48 Cb 0.00 -1.03 -0.02 0.00 -2.06 0.00 0.00 37.83 34.72 2nr2 s LYS 48 CO 0.00 -0.06 0.65 -0.65 0.10 0.00 0.00 175.35 175.39 2nr2 s GLN 49 N -3.80 3.24 0.06 1.78 -0.21 -1.26 -2.92 119.66 116.55 2nr2 s GLN 49 Ca 0.32 -0.37 0.04 0.00 0.02 0.00 0.00 55.36 55.37 2nr2 s GLN 49 Cb 0.06 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2nr2 s GLN 49 CO 0.13 -0.14 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.63 2nr2 s LEU 50 N -4.50 3.35 0.02 2.90 1.43 -0.91 -4.89 118.68 116.09 2nr2 s LEU 50 Ca 0.46 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2nr2 s LEU 50 Cb -0.10 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2nr2 s LEU 50 CO 0.38 0.21 0.30 -0.70 0.23 0.00 0.00 176.35 176.77 2nr2 s GLU 51 N -2.01 3.63 -0.06 1.70 2.12 -1.26 -4.71 118.70 118.11 2nr2 s GLU 51 Ca 0.22 -0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.44 2nr2 s GLU 51 Cb -0.11 -3.06 -0.30 0.00 0.26 0.00 0.00 34.13 30.91 2nr2 s GLU 51 CO 0.14 0.63 0.64 -0.44 -0.54 0.00 0.00 175.26 175.69 2nr2 h ASP 52 N 3.93 0.61 -0.59 -1.70 3.32 -2.00 -3.33 116.42 116.66 2nr2 h ASP 52 Ca -0.50 -0.94 -0.35 0.00 0.02 0.00 0.00 57.03 55.26 2nr2 h ASP 52 Cb 1.20 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.42 2nr2 h ASP 52 CO 0.66 1.80 0.16 0.61 -1.72 0.00 0.00 179.24 180.76 2nr2 n GLY 53 N 1.88 3.81 3.30 2.75 0.00 -1.26 -0.35 105.19 115.32 2nr2 n GLY 53 Ca -0.26 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.90 1.24 0.68 1.61 0.52 -1.25 -5.00 118.95 115.86 2nr2 s ARG 54 Ca 0.51 -1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 54.09 2nr2 s ARG 54 Cb 0.31 -0.56 0.10 0.00 0.52 0.00 0.00 34.95 35.32 2nr2 s ARG 54 CO -0.11 -0.07 0.95 0.95 0.02 0.00 0.00 175.30 177.05 2nr2 s THR 55 N -3.44 2.29 0.07 0.02 -4.23 -1.26 -0.86 115.64 108.23 2nr2 s THR 55 Ca 0.25 -0.55 0.22 0.00 -1.18 0.00 0.00 61.69 60.44 2nr2 s THR 55 Cb 0.05 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 71.36 2nr2 s THR 55 CO 0.06 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 175.83 2nr2 h LEU 56 N -0.43 0.00 0.17 4.79 3.38 -1.39 -3.03 115.31 118.79 2nr2 h LEU 56 Ca -0.39 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.25 2nr2 h LEU 56 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2nr2 h LEU 56 CO 0.46 0.26 -1.65 -1.28 0.09 0.00 0.00 178.44 176.32 2nr2 h SER 57 N 0.00 0.55 -0.57 -0.43 0.87 -1.79 0.12 113.55 112.30 2nr2 h SER 57 Ca -0.00 -0.92 0.10 0.00 -1.23 0.00 0.00 61.79 59.74 2nr2 h SER 57 Cb 0.85 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.56 2nr2 h SER 57 CO 0.03 1.74 0.15 0.44 -0.53 0.00 0.00 176.83 178.66 2nr2 h ASP 58 N -0.02 0.07 0.70 6.23 3.32 -1.87 0.35 116.42 125.21 2nr2 h ASP 58 Ca -0.33 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2nr2 h ASP 58 Cb 2.00 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.66 2nr2 h ASP 58 CO 0.14 0.06 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 2nr2 n TYR 59 N -5.08 0.00 -3.47 4.55 4.01 -1.15 -4.93 117.16 111.09 2nr2 n TYR 59 Ca 0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.63 2nr2 n TYR 59 Cb 0.28 -0.46 0.09 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.46 -2.92 -4.72 7.72 2.85 0.11 -4.98 115.26 111.86 2nr2 n ASN 60 Ca 0.06 -0.61 -0.42 0.00 -0.11 0.00 0.00 54.58 53.50 2nr2 n ASN 60 Cb 0.24 -5.08 -0.03 0.00 1.24 0.00 0.00 39.78 36.16 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 -3.36 4.06 1.04 -1.44 -1.09 0.00 -5.03 121.20 115.40 2nr2 s ILE 61 Ca 0.12 1.52 -0.13 0.00 -2.23 0.00 0.00 60.65 59.93 2nr2 s ILE 61 Cb -0.05 -3.97 0.21 0.00 -1.58 0.00 0.00 42.46 37.06 2nr2 s ILE 61 CO 0.73 0.14 1.09 -1.10 -1.23 0.00 0.00 174.94 174.58 2nr2 s GLN 62 N 0.83 0.06 0.09 2.79 -0.21 -1.26 -4.84 119.66 117.13 2nr2 s GLN 62 Ca 0.57 0.41 -0.31 0.00 0.02 0.00 0.00 55.36 56.05 2nr2 s GLN 62 Cb -0.29 -1.70 -0.14 0.00 1.00 0.00 0.00 33.01 31.87 2nr2 s GLN 62 CO 0.30 -2.95 1.62 -0.22 -2.12 0.00 0.00 175.29 171.92 2nr2 h LYS 63 N -2.05 -0.70 -3.87 2.91 3.64 -1.95 -3.30 116.57 111.25 2nr2 h LYS 63 Ca -0.54 0.05 -0.76 0.00 -1.27 0.00 0.00 60.65 58.13 2nr2 h LYS 63 Cb 1.33 0.16 -0.28 0.00 -0.41 0.00 0.00 32.23 33.03 2nr2 h LYS 63 CO 0.54 -0.47 -0.09 -2.00 -2.27 0.00 0.00 179.45 175.16 2nr2 s GLU 64 N -6.03 3.18 0.03 1.90 2.12 -1.26 -4.21 118.70 114.43 2nr2 s GLU 64 Ca -0.17 -2.30 0.06 0.00 0.36 0.00 0.00 54.97 52.92 2nr2 s GLU 64 Cb 0.05 -4.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 2nr2 s GLU 64 CO 0.63 -1.26 -0.16 0.45 -0.54 0.00 0.00 175.26 174.38 2nr2 s SER 65 N 2.10 3.95 -0.48 -1.70 0.15 -1.25 -5.01 113.70 111.47 2nr2 s SER 65 Ca 0.14 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.30 2nr2 s SER 65 Cb -0.17 -0.71 0.10 0.00 -1.71 0.00 0.00 66.02 63.54 2nr2 s SER 65 CO -0.05 0.26 0.39 -0.89 1.20 0.00 0.00 173.24 174.15 2nr2 s THR 66 N -0.93 4.78 0.46 6.45 2.01 -1.26 -1.33 115.64 125.83 2nr2 s THR 66 Ca 0.15 -1.45 0.07 0.00 0.31 0.00 0.00 61.69 60.78 2nr2 s THR 66 Cb -0.11 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2nr2 s THR 66 CO 0.05 -0.71 0.43 -0.76 -0.69 0.00 0.00 174.62 172.95 2nr2 s LEU 67 N 1.52 3.21 -0.03 4.42 1.02 0.54 -4.82 118.68 124.52 2nr2 s LEU 67 Ca 0.04 -0.87 0.06 0.00 0.02 0.00 0.00 54.13 53.38 2nr2 s LEU 67 Cb -0.26 -1.82 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 2nr2 s LEU 67 CO 0.03 -0.83 -0.21 -1.00 0.02 0.00 0.00 176.35 174.36 2nr2 s HIS 68 N -2.56 1.95 -0.29 0.29 3.76 -0.60 0.13 115.29 117.97 2nr2 s HIS 68 Ca 0.46 -0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 2nr2 s HIS 68 Cb -0.03 -1.28 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 2nr2 s HIS 68 CO 0.28 -0.12 0.39 -1.17 -0.85 0.00 0.00 174.74 173.27 2nr2 s LEU 69 N -0.24 4.14 -0.15 0.89 2.96 0.11 -1.27 118.68 125.11 2nr2 s LEU 69 Ca 0.01 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2nr2 s LEU 69 Cb -0.11 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.17 2nr2 s LEU 69 CO 0.01 -0.24 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.94 2nr2 s VAL 70 N 2.10 1.79 0.20 1.68 1.01 -1.07 -4.04 120.40 122.08 2nr2 s VAL 70 Ca 0.15 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2nr2 s VAL 70 Cb -0.16 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 2nr2 s VAL 70 CO 0.11 0.50 0.82 -0.76 0.00 0.00 0.00 175.10 175.76 2nr2 s LEU 71 N 1.24 4.55 -0.42 3.92 1.43 -1.26 -0.33 118.68 127.81 2nr2 s LEU 71 Ca 0.01 1.70 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 2nr2 s LEU 71 Cb -0.14 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.64 2nr2 s LEU 71 CO -0.09 0.15 0.64 -0.13 0.23 0.00 0.00 176.35 177.16 2nr2 s ARG 72 N -1.34 3.36 0.20 1.70 0.52 0.81 -4.93 118.95 119.27 2nr2 s ARG 72 Ca 0.39 -0.29 -0.25 0.00 -0.52 0.00 0.00 55.73 55.06 2nr2 s ARG 72 Cb -0.23 -3.92 -0.08 0.00 0.52 0.00 0.00 34.95 31.24 2nr2 s ARG 72 CO 0.27 -0.95 0.81 -0.51 0.02 0.00 0.00 175.30 174.93 2nr2 s LEU 73 N 2.80 4.54 0.41 2.53 1.43 -1.26 -4.81 118.68 124.32 2nr2 s LEU 73 Ca 0.23 1.68 -0.24 0.00 -1.03 0.00 0.00 54.13 54.77 2nr2 s LEU 73 Cb -0.14 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 2nr2 s LEU 73 CO 0.18 0.15 1.07 -0.60 0.23 0.00 0.00 176.35 177.39 2nr2 s ARG 74 N -1.36 4.09 0.00 1.70 3.52 -1.26 -4.53 118.95 121.10 2nr2 s ARG 74 Ca 0.39 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.56 2nr2 s ARG 74 Cb -0.22 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2nr2 s ARG 74 CO 0.26 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2nr2 n GLY 75 N 0.36 1.52 0.00 8.12 0.00 -1.26 -5.34 105.19 108.60 2nr2 n GLY 75 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93