#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 4.58 0.09 2.12 0.00 -1.26 -0.88 119.66 124.30 2nr2 s GLN 2 Ca 0.00 1.50 0.08 0.00 -0.00 0.00 0.00 55.36 56.94 2nr2 s GLN 2 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 33.01 29.56 2nr2 s GLN 2 CO 0.00 -0.00 -0.19 0.96 0.00 0.00 0.00 175.29 176.06 2nr2 s ILE 3 N 0.66 2.78 -0.17 3.63 -4.36 -0.66 -4.42 121.20 118.66 2nr2 s ILE 3 Ca 0.51 -1.40 -0.07 0.00 -0.26 0.00 0.00 60.65 59.44 2nr2 s ILE 3 Cb -0.23 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 2nr2 s ILE 3 CO 0.29 0.19 0.05 -0.36 0.24 0.00 0.00 174.94 175.35 2nr2 s PHE 4 N -1.06 3.23 -0.25 1.37 0.08 -0.59 -1.54 117.98 119.24 2nr2 s PHE 4 Ca 0.16 0.06 -0.05 0.00 0.12 0.00 0.00 56.93 57.22 2nr2 s PHE 4 Cb -0.10 -2.04 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 2nr2 s PHE 4 CO 0.08 0.18 0.01 0.08 -0.10 0.00 0.00 175.22 175.47 2nr2 s VAL 5 N 0.21 3.72 -0.17 -0.44 1.01 0.13 -0.54 120.40 124.32 2nr2 s VAL 5 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2nr2 s VAL 5 Cb -0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2nr2 s VAL 5 CO 0.01 0.32 0.04 -0.75 0.00 0.00 0.00 175.10 174.71 2nr2 s LYS 6 N 1.51 3.87 0.94 2.72 2.20 -0.16 -0.76 119.74 130.06 2nr2 s LYS 6 Ca 0.05 -0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.16 2nr2 s LYS 6 Cb -0.15 -3.13 0.15 0.00 -1.51 0.00 0.00 37.83 33.20 2nr2 s LYS 6 CO -0.00 0.29 1.09 0.95 -0.36 0.00 0.00 175.35 177.32 2nr2 s THR 7 N 0.30 2.40 0.18 3.43 -4.23 0.20 -0.78 115.64 117.15 2nr2 s THR 7 Ca 0.02 0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 2nr2 s THR 7 Cb -0.13 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.18 2nr2 s THR 7 CO 0.01 -0.17 1.76 0.25 -0.54 0.00 0.00 174.62 175.93 2nr2 h LEU 8 N -1.69 0.26 0.00 4.79 5.85 -1.24 -3.11 115.31 120.17 2nr2 h LEU 8 Ca -0.52 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2nr2 h LEU 8 Cb 1.30 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2nr2 h LEU 8 CO 0.56 0.18 -0.23 0.71 -0.34 0.00 0.00 178.44 179.32 2nr2 h THR 9 N 0.42 0.19 0.00 1.05 1.35 -1.93 -3.48 112.91 110.51 2nr2 h THR 9 Ca 0.24 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2nr2 h THR 9 Cb 0.21 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2nr2 h THR 9 CO -0.21 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.78 2nr2 n GLY 10 N 1.14 -0.25 3.73 5.82 0.00 -1.17 -5.14 105.19 109.32 2nr2 n GLY 10 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 4.39 -0.24 1.61 2.20 -1.26 -4.82 119.74 121.62 2nr2 s LYS 11 Ca 0.00 0.75 0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2nr2 s LYS 11 Cb 0.00 -3.42 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 2nr2 s LYS 11 CO 0.00 0.16 -0.13 0.99 -0.36 0.00 0.00 175.35 176.01 2nr2 s THR 12 N 0.51 2.21 0.10 3.43 2.01 -1.26 0.59 115.64 123.23 2nr2 s THR 12 Ca 0.33 -1.41 0.02 0.00 0.31 0.00 0.00 61.69 60.95 2nr2 s THR 12 Cb -0.17 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2nr2 s THR 12 CO 0.16 0.13 0.20 0.27 -0.69 0.00 0.00 174.62 174.69 2nr2 s ILE 13 N 1.17 5.09 -0.21 1.82 -4.36 0.06 -4.91 121.20 119.87 2nr2 s ILE 13 Ca -0.05 -0.63 -0.01 0.00 -0.26 0.00 0.00 60.65 59.71 2nr2 s ILE 13 Cb -0.18 -3.53 0.01 0.00 1.25 0.00 0.00 42.46 40.01 2nr2 s ILE 13 CO -0.07 0.04 -0.12 -0.89 0.24 0.00 0.00 174.94 174.14 2nr2 s THR 14 N -1.58 2.61 0.06 8.37 2.01 -1.26 0.17 115.64 126.02 2nr2 s THR 14 Ca 0.33 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2nr2 s THR 14 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2nr2 s THR 14 CO 0.26 0.42 0.13 -0.76 -0.69 0.00 0.00 174.62 173.99 2nr2 s LEU 15 N 1.35 4.06 -0.24 4.42 1.43 -0.59 -4.98 118.68 124.12 2nr2 s LEU 15 Ca 0.04 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 2nr2 s LEU 15 Cb -0.14 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2nr2 s LEU 15 CO -0.08 0.19 0.12 -1.61 0.23 0.00 0.00 176.35 175.20 2nr2 s GLU 16 N -2.33 3.90 0.05 1.70 2.02 -1.26 -1.66 118.70 121.12 2nr2 s GLU 16 Ca 0.31 -0.36 0.04 0.00 0.02 0.00 0.00 54.97 54.98 2nr2 s GLU 16 Cb -0.12 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2nr2 s GLU 16 CO 0.23 -0.03 -0.12 0.14 0.02 0.00 0.00 175.26 175.50 2nr2 s VAL 17 N 1.25 0.96 -0.08 2.63 -7.23 -0.06 -4.88 120.40 112.99 2nr2 s VAL 17 Ca 0.06 -1.07 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 2nr2 s VAL 17 Cb -0.14 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 2nr2 s VAL 17 CO 0.05 -0.14 0.68 -1.61 -0.31 0.00 0.00 175.10 173.77 2nr2 s GLU 18 N -1.37 4.42 0.00 4.82 2.02 -1.26 -1.30 118.70 126.03 2nr2 s GLU 18 Ca -0.02 0.84 0.26 0.00 0.02 0.00 0.00 54.97 56.07 2nr2 s GLU 18 Cb -0.09 -3.45 1.45 0.00 0.10 0.00 0.00 34.13 32.14 2nr2 s GLU 18 CO 0.01 0.06 1.88 -0.35 0.02 0.00 0.00 175.26 176.88 2nr2 n PRO 19 N 3.83 0.66 -0.02 0.39 -0.04 -1.26 -2.17 135.00 136.39 2nr2 n PRO 19 Ca -0.02 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2nr2 n PRO 19 Cb 0.51 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.06 2nr2 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nr2 n SER 20 N -1.10 0.68 -4.89 3.54 7.64 -1.26 -1.09 113.62 117.15 2nr2 n SER 20 Ca 0.17 -1.42 -0.30 0.00 1.01 0.00 0.00 58.87 58.33 2nr2 n SER 20 Cb 0.13 -0.03 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.73 5.69 0.37 6.43 -1.08 -0.92 -4.83 116.67 120.59 2nr2 s ASP 21 Ca 0.35 1.12 -0.04 0.00 -0.52 0.00 0.00 52.55 53.46 2nr2 s ASP 21 Cb 0.17 -2.03 -0.04 0.00 -1.46 0.00 0.00 42.92 39.56 2nr2 s ASP 21 CO 0.28 -1.15 0.64 0.42 0.52 0.00 0.00 175.17 175.87 2nr2 s THR 22 N -3.23 5.00 0.31 1.71 -4.23 -1.26 -2.46 115.64 111.47 2nr2 s THR 22 Ca 0.56 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 2nr2 s THR 22 Cb -0.11 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.17 2nr2 s THR 22 CO 0.51 -0.57 1.96 0.40 -0.54 0.00 0.00 174.62 176.38 2nr2 h ILE 23 N 0.81 1.20 -0.95 2.99 1.08 -1.40 -2.47 117.51 118.77 2nr2 h ILE 23 Ca -0.48 -0.42 0.23 0.00 -0.39 0.00 0.00 64.86 63.81 2nr2 h ILE 23 Cb 1.20 0.12 -0.12 0.00 -3.07 0.00 0.00 36.82 34.95 2nr2 h ILE 23 CO 0.63 0.21 0.50 -0.08 -0.69 0.00 0.00 178.15 178.72 2nr2 h GLU 24 N 1.03 0.48 -0.05 2.37 4.81 -1.45 -1.72 114.58 120.05 2nr2 h GLU 24 Ca 0.27 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 2nr2 h GLU 24 Cb -0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2nr2 h GLU 24 CO -0.05 0.32 -0.74 -0.91 -0.73 0.00 0.00 179.01 176.90 2nr2 h ASN 25 N 0.50 0.34 -0.95 1.04 2.35 -1.74 -3.13 115.58 113.98 2nr2 h ASN 25 Ca 0.61 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2nr2 h ASN 25 Cb 1.15 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.38 2nr2 h ASN 25 CO -0.50 0.96 0.60 0.58 -1.65 0.00 0.00 177.43 177.42 2nr2 h VAL 26 N 0.19 1.25 -0.35 2.81 2.07 -1.06 -1.76 116.25 119.40 2nr2 h VAL 26 Ca -0.03 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 2nr2 h VAL 26 Cb 1.30 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2nr2 h VAL 26 CO 0.12 0.26 -0.14 0.11 0.02 0.00 0.00 177.57 177.93 2nr2 h LYS 27 N 1.30 0.62 0.00 1.57 1.57 -1.39 -1.04 116.57 119.20 2nr2 h LYS 27 Ca 0.35 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2nr2 h LYS 27 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2nr2 h LYS 27 CO -0.07 0.74 -0.34 0.00 -0.57 0.00 0.00 179.45 179.22 2nr2 h ALA 28 N 1.28 1.15 -0.03 3.86 0.00 -1.41 -0.14 119.26 123.97 2nr2 h ALA 28 Ca 0.10 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.49 2nr2 h ALA 28 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2nr2 h ALA 28 CO 0.04 0.42 -0.85 -0.22 0.00 0.00 0.00 179.25 178.64 2nr2 h LYS 29 N 0.00 0.36 -0.16 0.00 3.64 -0.48 0.91 116.57 120.84 2nr2 h LYS 29 Ca -0.00 -0.35 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 2nr2 h LYS 29 Cb 0.74 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2nr2 h LYS 29 CO 0.04 1.02 -0.39 0.82 -2.27 0.00 0.00 179.45 178.67 2nr2 h ILE 30 N 0.22 1.30 -0.35 2.00 2.04 -0.99 -2.84 117.51 118.89 2nr2 h ILE 30 Ca -0.05 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.22 2nr2 h ILE 30 Cb 1.47 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 2nr2 h ILE 30 CO 0.14 0.46 -0.07 -0.61 0.00 0.00 0.00 178.15 178.08 2nr2 h GLN 31 N 0.31 0.59 0.00 2.37 4.15 -0.75 -0.54 115.11 121.23 2nr2 h GLN 31 Ca 0.03 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 2nr2 h GLN 31 Cb 0.83 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 2nr2 h GLN 31 CO 0.07 0.66 -0.05 0.22 -1.93 0.00 0.00 178.83 177.80 2nr2 h ASP 32 N 0.55 0.00 0.00 -0.69 3.58 -0.58 -2.75 116.42 116.52 2nr2 h ASP 32 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2nr2 h ASP 32 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2nr2 h ASP 32 CO 0.02 0.05 -0.03 1.17 -2.88 0.00 0.00 179.24 177.57 2nr2 n LYS 33 N -4.03 0.02 0.09 0.28 3.00 -0.84 -4.73 118.16 111.94 2nr2 n LYS 33 Ca -0.03 0.02 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 2nr2 n LYS 33 Cb 0.13 -0.54 -0.03 0.00 0.00 0.00 0.00 35.03 34.59 2nr2 n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2nr2 h GLU 34 N -0.03 0.00 -2.76 1.64 4.39 -1.29 -3.47 114.58 113.05 2nr2 h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nr2 h GLU 34 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2nr2 h GLU 34 CO 0.00 0.41 0.00 0.41 -1.16 0.00 0.00 179.01 178.67 2nr2 n GLY 35 N 1.30 0.87 3.24 -3.84 0.00 -1.04 -5.04 105.19 100.67 2nr2 n GLY 35 Ca -0.03 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.95 2.83 0.46 -0.61 1.01 -1.26 -5.02 121.20 115.66 2nr2 s ILE 36 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 2nr2 s ILE 36 Cb 0.00 -2.25 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 2nr2 s ILE 36 CO 0.00 0.47 1.34 -2.84 0.00 0.00 0.00 174.94 173.91 2nr2 s PRO 37 N 1.37 3.68 0.48 2.79 0.02 -1.26 -4.01 135.00 138.06 2nr2 s PRO 37 Ca 0.05 2.21 0.32 0.00 0.02 0.00 0.00 61.00 63.59 2nr2 s PRO 37 Cb -0.14 -2.58 1.36 0.00 0.02 0.00 0.00 34.50 33.16 2nr2 s PRO 37 CO -0.07 -0.75 1.94 -1.35 -0.33 0.00 0.00 177.00 176.44 2nr2 h PRO 38 N 2.23 0.00 0.00 5.54 0.11 -1.96 -2.69 132.00 135.23 2nr2 h PRO 38 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nr2 h PRO 38 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2nr2 h PRO 38 CO 0.61 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.78 2nr2 h ASP 39 N 0.00 0.00 0.80 -2.05 2.03 -1.99 -3.04 116.42 112.17 2nr2 h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2nr2 h ASP 39 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2nr2 h ASP 39 CO 0.00 0.00 -0.85 0.00 -1.03 0.00 0.00 179.24 177.36 2nr2 n GLN 40 N -2.89 0.40 -3.10 4.15 6.02 -1.02 -4.85 117.38 116.09 2nr2 n GLN 40 Ca 0.04 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.71 2nr2 n GLN 40 Cb 0.45 -1.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 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 -3.24 4.41 -0.28 -1.09 -0.21 -1.15 -0.44 119.66 117.66 2nr2 s GLN 41 Ca 0.03 0.82 -0.04 0.00 0.02 0.00 0.00 55.36 56.19 2nr2 s GLN 41 Cb 0.12 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.73 2nr2 s GLN 41 CO 0.76 0.14 0.01 1.03 -2.12 0.00 0.00 175.29 175.12 2nr2 s ARG 42 N 0.56 2.91 -0.21 2.91 0.52 -0.03 -5.00 118.95 120.62 2nr2 s ARG 42 Ca 0.35 -0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 2nr2 s ARG 42 Cb -0.18 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2nr2 s ARG 42 CO 0.17 -0.45 0.07 -0.51 0.02 0.00 0.00 175.30 174.60 2nr2 s LEU 43 N 1.40 3.68 0.19 2.53 1.43 -1.26 -1.48 118.68 125.16 2nr2 s LEU 43 Ca 0.01 -0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.19 2nr2 s LEU 43 Cb -0.17 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2nr2 s LEU 43 CO -0.01 0.09 -0.24 -0.63 0.23 0.00 0.00 176.35 175.80 2nr2 s ILE 44 N 0.87 2.38 0.00 -0.59 1.01 0.71 0.23 121.20 125.82 2nr2 s ILE 44 Ca 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 58.70 2nr2 s ILE 44 Cb -0.14 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2nr2 s ILE 44 CO 0.03 -0.09 0.00 0.33 0.00 0.00 0.00 174.94 175.20 2nr2 n PHE 45 N 0.33 0.00 -0.10 3.97 7.35 -1.24 0.03 117.46 127.79 2nr2 n PHE 45 Ca -0.13 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.37 2nr2 n PHE 45 Cb 0.56 0.10 -0.12 0.00 0.35 0.00 0.00 39.48 40.37 2nr2 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nr2 n ALA 46 N -2.03 1.33 0.06 3.13 0.00 -1.26 -4.67 120.51 117.07 2nr2 n ALA 46 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2nr2 n ALA 46 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 2.20 -0.98 3.93 0.00 0.00 -1.26 -5.14 105.19 103.93 2nr2 n GLY 47 Ca -0.43 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 3.12 0.51 1.61 -2.85 -1.26 -5.07 119.74 113.80 2nr2 s LYS 48 Ca 0.00 -0.13 -0.21 0.00 -1.00 0.00 0.00 55.97 54.62 2nr2 s LYS 48 Cb 0.00 -2.40 -0.06 0.00 -2.06 0.00 0.00 37.83 33.30 2nr2 s LYS 48 CO 0.00 -0.42 1.17 -0.65 0.10 0.00 0.00 175.35 175.55 2nr2 s GLN 49 N -4.77 3.50 0.25 1.78 -0.21 -1.26 -3.61 119.66 115.33 2nr2 s GLN 49 Ca 0.50 1.76 -0.21 0.00 0.02 0.00 0.00 55.36 57.43 2nr2 s GLN 49 Cb -0.10 -2.21 -0.09 0.00 1.00 0.00 0.00 33.01 31.61 2nr2 s GLN 49 CO 0.42 -0.76 0.77 -0.51 -2.12 0.00 0.00 175.29 173.08 2nr2 s LEU 50 N -3.43 4.33 0.33 2.90 1.43 0.13 -4.96 118.68 119.41 2nr2 s LEU 50 Ca 0.69 1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 55.22 2nr2 s LEU 50 Cb -0.28 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 2nr2 s LEU 50 CO 0.33 0.00 0.61 -1.61 0.23 0.00 0.00 176.35 175.91 2nr2 s GLU 51 N -2.03 3.64 0.02 1.70 2.02 -1.26 -4.75 118.70 118.04 2nr2 s GLU 51 Ca 0.45 0.08 -0.27 0.00 0.02 0.00 0.00 54.97 55.25 2nr2 s GLU 51 Cb -0.17 -2.58 -0.16 0.00 0.10 0.00 0.00 34.13 31.32 2nr2 s GLU 51 CO 0.21 0.14 1.21 -0.44 0.02 0.00 0.00 175.26 176.40 2nr2 h ASP 52 N 1.45 -0.66 -1.78 -0.19 3.32 -1.97 -3.25 116.42 113.33 2nr2 h ASP 52 Ca -0.48 -0.04 -0.78 0.00 0.02 0.00 0.00 57.03 55.76 2nr2 h ASP 52 Cb 1.19 0.17 -0.20 0.00 0.22 0.00 0.00 39.33 40.72 2nr2 h ASP 52 CO 0.65 -0.31 1.70 0.61 -1.72 0.00 0.00 179.24 180.17 2nr2 n GLY 53 N -0.66 5.47 3.13 2.75 0.00 -1.26 -1.28 105.19 113.34 2nr2 n GLY 53 Ca -0.11 -2.32 -0.09 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.24 0.81 0.63 1.61 3.52 -1.23 -5.04 118.95 117.01 2nr2 s ARG 54 Ca 0.44 -1.36 -0.00 0.00 -0.13 0.00 0.00 55.73 54.68 2nr2 s ARG 54 Cb 0.16 0.22 0.07 0.00 -1.56 0.00 0.00 34.95 33.84 2nr2 s ARG 54 CO -0.07 -0.20 0.88 0.95 -0.81 0.00 0.00 175.30 176.05 2nr2 s THR 55 N -3.99 2.45 0.03 4.11 -4.23 -1.26 -1.88 115.64 110.86 2nr2 s THR 55 Ca 0.17 -0.59 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 2nr2 s THR 55 Cb 0.08 -2.86 -0.15 0.00 1.34 0.00 0.00 72.50 70.91 2nr2 s THR 55 CO -0.03 0.00 1.31 -0.07 -0.54 0.00 0.00 174.62 175.30 2nr2 h LEU 56 N -0.21 0.40 -1.78 4.79 3.38 -1.38 -3.13 115.31 117.38 2nr2 h LEU 56 Ca -0.41 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2nr2 h LEU 56 Cb 1.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2nr2 h LEU 56 CO 0.49 0.84 0.00 -1.28 0.09 0.00 0.00 178.44 178.58 2nr2 h SER 57 N -0.03 0.00 0.42 -0.43 0.87 -1.38 -1.57 113.55 111.43 2nr2 h SER 57 Ca 0.02 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.32 2nr2 h SER 57 Cb 0.75 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2nr2 h SER 57 CO 0.04 0.00 -1.10 0.44 -0.53 0.00 0.00 176.83 175.68 2nr2 h ASP 58 N 0.00 0.54 -0.19 6.23 3.32 -1.83 -3.22 116.42 121.28 2nr2 h ASP 58 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2nr2 h ASP 58 Cb 0.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2nr2 h ASP 58 CO 0.00 1.33 0.00 -1.22 -1.72 0.00 0.00 179.24 177.63 2nr2 n TYR 59 N -3.67 0.26 -3.93 4.55 4.01 -1.03 -4.95 117.16 112.39 2nr2 n TYR 59 Ca -0.08 -0.13 -0.41 0.00 -0.16 0.00 0.00 57.90 57.12 2nr2 n TYR 59 Cb 0.93 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.99 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 0.16 -4.53 -4.52 7.72 4.13 -0.90 -4.94 115.26 112.38 2nr2 n ASN 60 Ca 0.12 -1.20 -0.43 0.00 1.68 0.00 0.00 54.58 54.76 2nr2 n ASN 60 Cb 0.24 -2.32 -0.04 0.00 -1.54 0.00 0.00 39.78 36.12 2nr2 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2nr2 s ILE 61 N -3.51 4.48 0.02 2.41 1.01 -0.64 -4.99 121.20 119.97 2nr2 s ILE 61 Ca 0.48 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2nr2 s ILE 61 Cb -0.23 -4.47 0.00 0.00 0.01 0.00 0.00 42.46 37.77 2nr2 s ILE 61 CO 0.93 -0.99 0.02 0.00 0.00 0.00 0.00 174.94 174.90 2nr2 n GLN 62 N 7.21 1.18 -0.57 2.79 6.02 -1.26 -4.67 117.38 128.08 2nr2 n GLN 62 Ca 0.02 -0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 56.70 2nr2 n GLN 62 Cb 0.48 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 2nr2 n GLN 62 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2nr2 n LYS 63 N -0.84 0.00 -3.82 -1.09 4.81 -1.26 -3.88 118.16 112.08 2nr2 n LYS 63 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.14 2nr2 n LYS 63 Cb 0.02 -0.45 0.02 0.00 0.02 0.00 0.00 35.03 34.64 2nr2 n LYS 63 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2nr2 n GLU 64 N 0.45 -1.92 -5.04 1.64 2.13 -1.26 -5.00 120.64 111.63 2nr2 n GLU 64 Ca 0.07 0.40 -0.32 0.00 0.66 0.00 0.00 57.16 57.97 2nr2 n GLU 64 Cb 0.08 -4.12 -0.15 0.00 0.27 0.00 0.00 31.44 27.52 2nr2 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2nr2 s SER 65 N -3.82 3.57 -0.52 4.31 0.01 -1.25 -5.01 113.70 110.99 2nr2 s SER 65 Ca 0.30 -0.38 -0.14 0.00 1.31 0.00 0.00 55.95 57.05 2nr2 s SER 65 Cb -0.12 -1.02 0.13 0.00 0.21 0.00 0.00 66.02 65.22 2nr2 s SER 65 CO 0.88 0.26 0.45 -0.89 0.41 0.00 0.00 173.24 174.35 2nr2 s THR 66 N -0.21 4.87 0.21 1.44 2.01 -1.26 -1.54 115.64 121.17 2nr2 s THR 66 Ca -0.01 -1.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.08 2nr2 s THR 66 Cb -0.13 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.14 2nr2 s THR 66 CO 0.03 -0.84 1.26 -0.76 -0.69 0.00 0.00 174.62 173.62 2nr2 s LEU 67 N 1.50 4.43 -0.62 4.42 1.02 0.30 -4.86 118.68 124.87 2nr2 s LEU 67 Ca 0.04 2.37 -0.21 0.00 0.02 0.00 0.00 54.13 56.35 2nr2 s LEU 67 Cb -0.28 -3.61 0.08 0.00 0.02 0.00 0.00 46.19 42.40 2nr2 s LEU 67 CO 0.02 -0.46 0.84 -1.00 0.02 0.00 0.00 176.35 175.77 2nr2 s HIS 68 N -0.11 2.83 -0.03 0.29 3.76 0.10 -0.99 115.29 121.14 2nr2 s HIS 68 Ca 0.54 -0.71 -0.18 0.00 -0.15 0.00 0.00 55.06 54.56 2nr2 s HIS 68 Cb -0.35 -4.14 -0.05 0.00 1.11 0.00 0.00 32.58 29.14 2nr2 s HIS 68 CO 0.39 -1.47 0.49 -1.17 -0.85 0.00 0.00 174.74 172.13 2nr2 s LEU 69 N 3.42 4.40 -0.07 0.89 2.96 0.04 -0.21 118.68 130.11 2nr2 s LEU 69 Ca 0.17 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 2nr2 s LEU 69 Cb -0.20 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 43.79 2nr2 s LEU 69 CO 0.09 0.17 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.59 2nr2 s VAL 70 N -0.33 0.42 0.20 1.68 1.01 -0.55 -0.71 120.40 122.11 2nr2 s VAL 70 Ca 0.26 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2nr2 s VAL 70 Cb -0.17 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 2nr2 s VAL 70 CO 0.14 0.26 0.52 -1.48 0.00 0.00 0.00 175.10 174.54 2nr2 s LEU 71 N 1.91 4.21 -0.39 3.92 0.05 -1.26 -0.85 118.68 126.27 2nr2 s LEU 71 Ca 0.04 0.89 -0.16 0.00 0.05 0.00 0.00 54.13 54.95 2nr2 s LEU 71 Cb -0.12 -3.56 0.01 0.00 -2.05 0.00 0.00 46.19 40.47 2nr2 s LEU 71 CO -0.05 -0.03 0.41 -0.60 -0.55 0.00 0.00 176.35 175.53 2nr2 s ARG 72 N -2.66 3.30 1.03 1.48 3.52 0.42 -4.96 118.95 121.08 2nr2 s ARG 72 Ca 0.45 -0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 55.30 2nr2 s ARG 72 Cb -0.12 -3.90 0.20 0.00 -1.56 0.00 0.00 34.95 29.58 2nr2 s ARG 72 CO 0.21 -0.71 1.12 -0.51 -0.81 0.00 0.00 175.30 174.60 2nr2 s LEU 73 N 2.09 1.48 0.00 -0.88 1.43 -1.26 -4.85 118.68 116.69 2nr2 s LEU 73 Ca 0.12 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 2nr2 s LEU 73 Cb -0.17 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.01 2nr2 s LEU 73 CO 0.13 -3.26 0.38 0.54 0.23 0.00 0.00 176.35 174.37 2nr2 n ARG 74 N -4.23 0.00 -3.36 1.70 1.74 -1.26 -4.57 116.66 106.68 2nr2 n ARG 74 Ca 0.08 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.70 2nr2 n ARG 74 Cb 0.58 -0.87 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 2nr2 n ARG 74 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2nr2 s GLY 75 N -0.15 2.61 0.00 -0.13 0.00 -1.26 -5.32 107.32 103.07 2nr2 s GLY 75 Ca 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 44.72 41.45 2nr2 s GLY 75 CO 0.00 1.24 0.00 0.61 0.00 0.00 0.00 173.10 174.95