#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 2.93 0.10 3.17 0.74 -1.26 -0.62 119.66 124.72 2nr2 s GLN 2 Ca 0.00 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.83 2nr2 s GLN 2 Cb 0.00 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 2nr2 s GLN 2 CO 0.00 0.52 -0.07 0.96 -0.55 0.00 0.00 175.29 176.15 2nr2 s ILE 3 N -0.43 0.71 0.01 -2.34 -4.36 -0.74 0.56 121.20 114.61 2nr2 s ILE 3 Ca 0.06 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 2nr2 s ILE 3 Cb -0.12 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 2nr2 s ILE 3 CO 0.02 -0.84 -0.03 -0.36 0.24 0.00 0.00 174.94 173.97 2nr2 s PHE 4 N -3.47 2.97 -0.06 1.37 0.08 0.38 -1.53 117.98 117.72 2nr2 s PHE 4 Ca 0.11 0.01 0.04 0.00 0.12 0.00 0.00 56.93 57.21 2nr2 s PHE 4 Cb 0.04 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2nr2 s PHE 4 CO -0.04 0.42 -0.18 0.08 -0.10 0.00 0.00 175.22 175.40 2nr2 s VAL 5 N -1.07 1.57 -0.00 -0.44 1.01 0.31 -0.28 120.40 121.50 2nr2 s VAL 5 Ca 0.19 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 2nr2 s VAL 5 Cb -0.11 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2nr2 s VAL 5 CO 0.10 0.45 0.28 -0.54 0.00 0.00 0.00 175.10 175.39 2nr2 s LYS 6 N 0.26 3.61 0.00 2.72 -0.14 0.72 -0.43 119.74 126.49 2nr2 s LYS 6 Ca -0.11 -0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2nr2 s LYS 6 Cb -0.15 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.91 2nr2 s LYS 6 CO 0.04 0.66 0.00 0.25 -0.76 0.00 0.00 175.35 175.55 2nr2 n THR 7 N 1.28 0.00 -0.07 2.17 -2.24 -1.23 -0.80 114.28 113.39 2nr2 n THR 7 Ca -0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 2nr2 n THR 7 Cb 0.53 -1.48 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 2nr2 n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2nr2 h LEU 8 N 0.00 0.33 0.07 3.22 5.85 -1.93 -3.34 115.31 119.51 2nr2 h LEU 8 Ca 0.00 -0.23 -0.36 0.00 0.84 0.00 0.00 57.88 58.13 2nr2 h LEU 8 Cb 0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2nr2 h LEU 8 CO 0.00 0.48 -2.06 0.35 -0.34 0.00 0.00 178.44 176.86 2nr2 n THR 9 N -4.75 1.67 0.00 1.05 -2.24 -1.26 -5.04 114.28 103.71 2nr2 n THR 9 Ca -0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2nr2 n THR 9 Cb 0.17 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 2nr2 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nr2 n GLY 10 N 1.94 -0.43 3.67 3.38 0.00 -1.25 -5.10 105.19 107.39 2nr2 n GLY 10 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 4.25 -0.18 1.61 2.20 -1.26 -4.67 119.74 121.68 2nr2 s LYS 11 Ca 0.00 1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 2nr2 s LYS 11 Cb 0.00 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2nr2 s LYS 11 CO 0.00 -0.67 1.50 0.99 -0.36 0.00 0.00 175.35 176.81 2nr2 s THR 12 N 3.28 3.86 -0.11 3.43 2.01 -1.26 -3.54 115.64 123.31 2nr2 s THR 12 Ca 0.56 1.01 -0.09 0.00 0.31 0.00 0.00 61.69 63.48 2nr2 s THR 12 Cb -0.23 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2nr2 s THR 12 CO 0.16 -0.23 0.19 -0.63 -0.69 0.00 0.00 174.62 173.42 2nr2 s ILE 13 N 4.44 5.42 -0.33 1.82 -1.09 0.43 -4.92 121.20 126.97 2nr2 s ILE 13 Ca 0.66 0.32 -0.09 0.00 -2.23 0.00 0.00 60.65 59.31 2nr2 s ILE 13 Cb -0.25 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2nr2 s ILE 13 CO 0.25 0.59 0.14 -0.89 -1.23 0.00 0.00 174.94 173.80 2nr2 s THR 14 N -0.85 4.29 -0.01 2.92 2.01 -1.26 -0.53 115.64 122.21 2nr2 s THR 14 Ca 0.16 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.43 2nr2 s THR 14 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2nr2 s THR 14 CO 0.05 -0.06 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.14 2nr2 s LEU 15 N 1.53 3.43 -0.20 4.42 1.43 -0.58 -4.99 118.68 123.71 2nr2 s LEU 15 Ca 0.02 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2nr2 s LEU 15 Cb -0.18 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2nr2 s LEU 15 CO 0.05 0.29 0.56 -1.61 0.23 0.00 0.00 176.35 175.86 2nr2 s GLU 16 N -1.47 4.19 0.04 1.70 2.02 -1.26 -1.79 118.70 122.13 2nr2 s GLU 16 Ca 0.18 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.66 2nr2 s GLU 16 Cb -0.11 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 2nr2 s GLU 16 CO 0.09 -0.19 -0.05 0.14 0.02 0.00 0.00 175.26 175.27 2nr2 s VAL 17 N 1.77 0.32 0.28 2.63 -7.23 0.21 -4.98 120.40 113.39 2nr2 s VAL 17 Ca 0.25 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 59.16 2nr2 s VAL 17 Cb -0.16 -0.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 2nr2 s VAL 17 CO 0.10 -0.66 0.37 -1.61 -0.31 0.00 0.00 175.10 172.99 2nr2 s GLU 18 N -2.46 3.18 0.00 4.82 0.41 -1.26 0.48 118.70 123.86 2nr2 s GLU 18 Ca -0.05 -0.95 0.29 0.00 -0.41 0.00 0.00 54.97 53.85 2nr2 s GLU 18 Cb -0.03 -2.77 1.24 0.00 -1.78 0.00 0.00 34.13 30.79 2nr2 s GLU 18 CO -0.04 0.26 1.90 -0.35 -0.49 0.00 0.00 175.26 176.55 2nr2 n PRO 19 N -1.45 0.22 0.12 0.39 -0.04 -1.26 -2.06 135.00 130.91 2nr2 n PRO 19 Ca -0.05 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2nr2 n PRO 19 Cb 0.58 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.87 2nr2 n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nr2 h SER 20 N 0.08 0.00 -4.00 3.54 4.64 -1.96 -1.71 113.55 114.13 2nr2 h SER 20 Ca 0.00 -0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.75 2nr2 h SER 20 Cb 0.42 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.62 2nr2 h SER 20 CO 0.00 0.01 0.66 -1.81 -0.87 0.00 0.00 176.83 174.82 2nr2 s ASP 21 N -4.77 5.82 0.52 4.97 1.01 -0.87 -4.83 116.67 118.51 2nr2 s ASP 21 Ca 0.09 2.82 -0.02 0.00 0.71 0.00 0.00 52.55 56.16 2nr2 s ASP 21 Cb 0.11 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.40 2nr2 s ASP 21 CO 0.63 -1.20 0.77 0.42 0.21 0.00 0.00 175.17 175.99 2nr2 s THR 22 N -1.25 3.70 0.06 -1.27 -4.23 -1.26 -1.84 115.64 109.56 2nr2 s THR 22 Ca 0.63 -0.33 0.28 0.00 -1.18 0.00 0.00 61.69 61.08 2nr2 s THR 22 Cb -0.42 -3.41 0.30 0.00 1.34 0.00 0.00 72.50 70.32 2nr2 s THR 22 CO 0.52 -0.34 1.86 0.40 -0.54 0.00 0.00 174.62 176.52 2nr2 h ILE 23 N 0.14 0.29 -0.49 2.99 1.08 -0.74 -0.88 117.51 119.90 2nr2 h ILE 23 Ca -0.45 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 2nr2 h ILE 23 Cb 1.26 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.69 2nr2 h ILE 23 CO 0.58 0.12 0.24 -0.08 -0.69 0.00 0.00 178.15 178.32 2nr2 h GLU 24 N 0.00 0.68 0.00 2.37 4.81 -1.48 -2.46 114.58 118.51 2nr2 h GLU 24 Ca -0.00 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 2nr2 h GLU 24 Cb 0.69 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2nr2 h GLU 24 CO 0.02 0.53 -0.85 -0.91 -0.73 0.00 0.00 179.01 177.06 2nr2 h ASN 25 N 0.69 0.08 -0.41 1.04 -0.26 -1.50 -3.16 115.58 112.06 2nr2 h ASN 25 Ca 0.17 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.74 2nr2 h ASN 25 Cb 0.07 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2nr2 h ASN 25 CO -0.02 0.89 -0.16 0.58 -1.06 0.00 0.00 177.43 177.66 2nr2 h VAL 26 N 0.03 1.28 -0.80 2.81 2.07 -1.14 -1.33 116.25 119.16 2nr2 h VAL 26 Ca -0.02 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2nr2 h VAL 26 Cb 1.49 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2nr2 h VAL 26 CO 0.12 0.43 0.46 0.11 0.02 0.00 0.00 177.57 178.70 2nr2 h LYS 27 N 0.64 1.11 -0.97 1.57 1.57 -1.52 -2.00 116.57 116.96 2nr2 h LYS 27 Ca 0.10 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2nr2 h LYS 27 Cb 0.70 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2nr2 h LYS 27 CO 0.05 0.81 0.64 0.00 -0.57 0.00 0.00 179.45 180.38 2nr2 h ALA 28 N 1.24 1.37 0.25 3.86 0.00 -1.41 -0.33 119.26 124.24 2nr2 h ALA 28 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2nr2 h ALA 28 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2nr2 h ALA 28 CO -0.05 0.54 -0.21 0.87 0.00 0.00 0.00 179.25 180.39 2nr2 h LYS 29 N 1.23 -0.46 -0.92 0.00 1.57 -0.66 0.69 116.57 118.02 2nr2 h LYS 29 Ca 0.39 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.36 2nr2 h LYS 29 Cb 0.01 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 2nr2 h LYS 29 CO -0.12 -0.31 0.52 0.82 -0.57 0.00 0.00 179.45 179.79 2nr2 h ILE 30 N -0.48 0.74 0.06 1.86 2.04 -0.93 -0.10 117.51 120.70 2nr2 h ILE 30 Ca -0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2nr2 h ILE 30 Cb 0.43 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2nr2 h ILE 30 CO -0.03 0.13 -0.03 -0.61 0.00 0.00 0.00 178.15 177.62 2nr2 h GLN 31 N 0.72 -0.07 -0.75 2.37 4.15 -0.87 0.29 115.11 120.94 2nr2 h GLN 31 Ca 0.51 0.00 0.16 0.00 0.77 0.00 0.00 58.65 60.09 2nr2 h GLN 31 Cb 0.72 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.31 2nr2 h GLN 31 CO -0.36 0.25 0.19 0.22 -1.93 0.00 0.00 178.83 177.21 2nr2 h ASP 32 N -0.40 0.04 0.08 -0.69 3.58 -0.26 -0.79 116.42 117.97 2nr2 h ASP 32 Ca -0.01 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2nr2 h ASP 32 Cb 0.36 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2nr2 h ASP 32 CO 0.01 -0.03 -0.04 0.50 -2.88 0.00 0.00 179.24 176.81 2nr2 h LYS 33 N 0.28 -0.10 0.00 0.28 1.63 -1.02 -3.41 116.57 114.24 2nr2 h LYS 33 Ca 0.42 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2nr2 h LYS 33 Cb 0.72 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2nr2 h LYS 33 CO -0.51 -0.07 -1.52 0.39 -3.45 0.00 0.00 179.45 174.29 2nr2 n GLU 34 N -3.03 0.54 -1.56 1.90 -0.58 0.10 -5.02 120.64 113.00 2nr2 n GLU 34 Ca -0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2nr2 n GLU 34 Cb 0.04 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 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 1.27 0.62 3.23 0.62 0.00 -0.30 -5.01 105.19 105.62 2nr2 n GLY 35 Ca -0.01 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.54 2.20 0.66 -0.61 1.01 -1.26 -5.01 121.20 115.65 2nr2 s ILE 36 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2nr2 s ILE 36 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 2nr2 s ILE 36 CO 0.00 0.55 1.21 -2.84 0.00 0.00 0.00 174.94 173.86 2nr2 s PRO 37 N 0.43 2.58 0.30 2.79 0.02 -1.26 -3.98 135.00 135.88 2nr2 s PRO 37 Ca -0.16 1.78 0.18 0.00 0.02 0.00 0.00 61.00 62.82 2nr2 s PRO 37 Cb -0.17 -1.88 0.11 0.00 0.02 0.00 0.00 34.50 32.58 2nr2 s PRO 37 CO 0.07 -1.50 1.41 -1.00 -0.33 0.00 0.00 177.00 175.65 2nr2 h PRO 38 N 0.30 0.00 -0.47 5.54 0.13 -1.94 -2.97 132.00 132.59 2nr2 h PRO 38 Ca -0.49 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2nr2 h PRO 38 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2nr2 h PRO 38 CO 0.53 0.33 0.32 -0.44 -0.23 0.00 0.00 178.00 178.51 2nr2 h ASP 39 N 0.00 0.17 -0.36 1.44 3.32 -1.95 -1.03 116.42 118.00 2nr2 h ASP 39 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2nr2 h ASP 39 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2nr2 h ASP 39 CO 0.04 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.67 2nr2 n GLN 40 N -4.45 2.09 -4.74 3.56 6.02 -1.12 -4.71 117.38 114.03 2nr2 n GLN 40 Ca 0.07 -1.66 -0.31 0.00 -0.01 0.00 0.00 57.00 55.09 2nr2 n GLN 40 Cb 0.40 -1.42 -0.17 0.00 1.02 0.00 0.00 30.24 30.08 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 -1.53 2.70 0.10 -1.09 -0.21 -0.39 0.54 119.66 119.78 2nr2 s GLN 41 Ca 0.34 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 55.03 2nr2 s GLN 41 Cb 0.19 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 2nr2 s GLN 41 CO 0.26 0.02 -0.01 1.03 -2.12 0.00 0.00 175.29 174.46 2nr2 s ARG 42 N 0.74 2.48 -0.04 2.91 0.52 0.31 -4.86 118.95 121.01 2nr2 s ARG 42 Ca -0.10 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.27 2nr2 s ARG 42 Cb -0.16 -2.50 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 2nr2 s ARG 42 CO 0.01 0.53 -0.18 -0.51 0.02 0.00 0.00 175.30 175.18 2nr2 s LEU 43 N -2.34 1.94 -0.18 2.53 1.43 -1.26 -1.32 118.68 119.48 2nr2 s LEU 43 Ca 0.25 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2nr2 s LEU 43 Cb -0.11 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 2nr2 s LEU 43 CO 0.18 0.17 -0.07 -0.63 0.23 0.00 0.00 176.35 176.22 2nr2 s ILE 44 N -0.04 3.31 -0.14 -0.59 -1.09 -0.74 -2.49 121.20 119.41 2nr2 s ILE 44 Ca -0.02 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2nr2 s ILE 44 Cb -0.11 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 2nr2 s ILE 44 CO 0.02 0.47 -0.13 0.12 -1.23 0.00 0.00 174.94 174.19 2nr2 s PHE 45 N 0.97 2.82 0.00 3.97 5.36 -0.97 -1.66 117.98 128.47 2nr2 s PHE 45 Ca -0.01 -0.75 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 2nr2 s PHE 45 Cb -0.15 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 2nr2 s PHE 45 CO -0.00 -0.30 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 2nr2 n ALA 46 N 3.75 0.00 -2.65 11.12 0.00 -1.26 -2.52 120.51 128.95 2nr2 n ALA 46 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2nr2 n ALA 46 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 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 1.21 2.93 0.00 0.00 -1.26 -5.10 105.19 102.97 2nr2 n GLY 47 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2nr2 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nr2 s LYS 48 N 0.12 0.58 -0.33 1.61 2.20 -1.05 -5.13 119.74 117.74 2nr2 s LYS 48 Ca 0.11 -0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 55.35 2nr2 s LYS 48 Cb 0.34 -0.59 -0.00 0.00 -1.51 0.00 0.00 37.83 36.07 2nr2 s LYS 48 CO -0.09 0.04 0.68 -1.14 -0.36 0.00 0.00 175.35 174.48 2nr2 s GLN 49 N 0.29 3.82 0.81 4.03 0.74 -1.26 -2.29 119.66 125.81 2nr2 s GLN 49 Ca -0.03 0.28 -0.11 0.00 0.05 0.00 0.00 55.36 55.55 2nr2 s GLN 49 Cb -0.07 -3.76 0.08 0.00 1.10 0.00 0.00 33.01 30.36 2nr2 s GLN 49 CO -0.00 -0.68 1.10 -0.51 -0.55 0.00 0.00 175.29 174.65 2nr2 s LEU 50 N 2.78 2.91 -0.14 3.68 1.43 -1.04 -5.05 118.68 123.26 2nr2 s LEU 50 Ca 0.27 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 55.18 2nr2 s LEU 50 Cb -0.14 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 2nr2 s LEU 50 CO 0.14 -2.32 0.06 -1.61 0.23 0.00 0.00 176.35 172.85 2nr2 s GLU 51 N -4.85 3.56 0.14 1.70 2.02 -1.26 -4.89 118.70 115.12 2nr2 s GLU 51 Ca 0.62 -0.32 -0.19 0.00 0.02 0.00 0.00 54.97 55.11 2nr2 s GLU 51 Cb -0.18 -3.08 -0.00 0.00 0.10 0.00 0.00 34.13 30.97 2nr2 s GLU 51 CO 0.57 0.51 1.72 -0.44 0.02 0.00 0.00 175.26 177.63 2nr2 h ASP 52 N 5.86 -0.11 -1.23 -0.19 5.19 -1.96 -2.51 116.42 121.48 2nr2 h ASP 52 Ca -0.45 0.06 -0.56 0.00 -0.62 0.00 0.00 57.03 55.46 2nr2 h ASP 52 Cb 1.19 0.10 -0.19 0.00 0.18 0.00 0.00 39.33 40.61 2nr2 h ASP 52 CO 0.63 -0.02 0.60 0.61 -3.12 0.00 0.00 179.24 177.94 2nr2 n GLY 53 N -1.20 4.59 3.45 2.75 0.00 -1.26 -1.32 105.19 112.20 2nr2 n GLY 53 Ca -0.01 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.08 1.60 0.32 1.61 1.81 -0.94 -5.00 118.95 116.27 2nr2 s ARG 54 Ca 0.57 -1.80 0.07 0.00 -1.72 0.00 0.00 55.73 52.85 2nr2 s ARG 54 Cb 0.38 -1.32 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 2nr2 s ARG 54 CO -0.25 0.09 0.27 0.95 -0.68 0.00 0.00 175.30 175.69 2nr2 s THR 55 N -2.88 3.72 0.37 0.02 -4.23 -1.26 -1.24 115.64 110.14 2nr2 s THR 55 Ca 0.30 -1.38 0.14 0.00 -1.18 0.00 0.00 61.69 59.57 2nr2 s THR 55 Cb 0.02 -3.23 0.35 0.00 1.34 0.00 0.00 72.50 70.99 2nr2 s THR 55 CO 0.13 -0.21 1.78 -0.07 -0.54 0.00 0.00 174.62 175.71 2nr2 h LEU 56 N 1.30 0.56 -1.86 4.79 3.38 -1.42 -2.39 115.31 119.66 2nr2 h LEU 56 Ca -0.45 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2nr2 h LEU 56 Cb 1.25 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2nr2 h LEU 56 CO 0.59 0.15 -0.13 -1.28 0.09 0.00 0.00 178.44 177.86 2nr2 h SER 57 N 0.52 0.00 0.07 -0.43 0.87 -1.57 0.12 113.55 113.12 2nr2 h SER 57 Ca 0.57 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.13 2nr2 h SER 57 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2nr2 h SER 57 CO -0.32 0.13 -0.03 0.44 -0.53 0.00 0.00 176.83 176.52 2nr2 h ASP 58 N 0.00 -0.08 0.00 6.23 3.32 -1.73 -2.87 116.42 121.30 2nr2 h ASP 58 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2nr2 h ASP 58 Cb 0.32 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2nr2 h ASP 58 CO 0.02 0.42 0.00 -1.22 -1.72 0.00 0.00 179.24 176.73 2nr2 n TYR 59 N -4.90 0.00 -3.53 4.55 4.01 -1.16 -4.89 117.16 111.24 2nr2 n TYR 59 Ca -0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 2nr2 n TYR 59 Cb 0.26 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.36 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 -0.87 -6.30 -4.61 7.72 3.02 -0.83 -4.96 115.26 108.43 2nr2 n ASN 60 Ca 0.15 -0.51 -0.41 0.00 -0.03 0.00 0.00 54.58 53.78 2nr2 n ASN 60 Cb 0.07 -4.94 -0.07 0.00 -0.61 0.00 0.00 39.78 34.23 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 -3.30 4.99 0.00 2.41 1.01 0.35 -5.00 121.20 121.67 2nr2 s ILE 61 Ca 0.56 0.93 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2nr2 s ILE 61 Cb -0.24 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2nr2 s ILE 61 CO 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 174.94 175.60 2nr2 n GLN 62 N 5.72 1.60 -1.30 2.79 6.02 -1.26 -4.66 117.38 126.30 2nr2 n GLN 62 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.62 2nr2 n GLN 62 Cb 0.49 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.85 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 -0.68 0.45 -4.07 -1.09 2.85 -1.26 -3.76 118.16 110.60 2nr2 n LYS 63 Ca 0.00 0.22 -0.32 0.00 -1.05 0.00 0.00 58.31 57.16 2nr2 n LYS 63 Cb 0.00 -2.37 -0.01 0.00 -0.65 0.00 0.00 35.03 32.00 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 -2.50 -3.87 -3.47 -1.58 1.02 0.19 -4.96 120.64 105.48 2nr2 n GLU 64 Ca 0.14 0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 2nr2 n GLU 64 Cb 0.50 -5.09 -0.06 0.00 -0.02 0.00 0.00 31.44 26.77 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 -3.55 6.79 -0.29 1.62 0.01 -1.25 -4.80 113.70 112.23 2nr2 s SER 65 Ca 0.55 0.97 -0.09 0.00 1.31 0.00 0.00 55.95 58.68 2nr2 s SER 65 Cb -0.29 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2nr2 s SER 65 CO 0.89 0.22 0.13 -0.89 0.41 0.00 0.00 173.24 174.00 2nr2 s THR 66 N -1.27 4.54 0.32 1.44 2.01 -1.26 -0.47 115.64 120.95 2nr2 s THR 66 Ca 0.30 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2nr2 s THR 66 Cb -0.16 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2nr2 s THR 66 CO 0.17 0.17 0.48 -0.76 -0.69 0.00 0.00 174.62 173.99 2nr2 s LEU 67 N 1.62 4.04 -0.11 4.42 1.02 0.62 -4.71 118.68 125.57 2nr2 s LEU 67 Ca 0.05 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.26 2nr2 s LEU 67 Cb -0.16 -2.91 0.01 0.00 0.02 0.00 0.00 46.19 43.15 2nr2 s LEU 67 CO 0.06 -0.35 -0.18 -1.00 0.02 0.00 0.00 176.35 174.90 2nr2 s HIS 68 N -2.19 2.24 -0.36 0.29 3.76 -0.67 -0.20 115.29 118.16 2nr2 s HIS 68 Ca 0.42 -1.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.11 2nr2 s HIS 68 Cb -0.09 -1.56 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 2nr2 s HIS 68 CO 0.32 -0.50 0.43 -1.17 -0.85 0.00 0.00 174.74 172.98 2nr2 s LEU 69 N 0.81 4.50 -0.03 0.89 2.96 0.02 -1.79 118.68 126.03 2nr2 s LEU 69 Ca -0.09 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2nr2 s LEU 69 Cb -0.16 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2nr2 s LEU 69 CO 0.00 -0.44 0.07 -0.69 -1.32 0.00 0.00 176.35 173.97 2nr2 s VAL 70 N 2.17 4.70 -0.12 1.68 1.01 -0.43 -4.37 120.40 125.04 2nr2 s VAL 70 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2nr2 s VAL 70 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2nr2 s VAL 70 CO 0.13 0.43 0.00 -0.76 0.00 0.00 0.00 175.10 174.90 2nr2 s LEU 71 N -1.47 3.54 -0.18 3.92 1.43 -1.26 -0.53 118.68 124.12 2nr2 s LEU 71 Ca 0.20 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.28 2nr2 s LEU 71 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2nr2 s LEU 71 CO 0.10 0.28 0.08 -0.60 0.23 0.00 0.00 176.35 176.45 2nr2 s ARG 72 N -0.32 4.00 1.16 1.70 3.52 0.19 -4.91 118.95 124.29 2nr2 s ARG 72 Ca 0.07 -0.30 -0.18 0.00 -0.13 0.00 0.00 55.73 55.18 2nr2 s ARG 72 Cb -0.12 -3.26 0.27 0.00 -1.56 0.00 0.00 34.95 30.27 2nr2 s ARG 72 CO 0.02 0.31 1.12 -0.48 -0.81 0.00 0.00 175.30 175.46 2nr2 s LEU 73 N 0.30 0.96 -0.54 -0.88 0.05 -1.26 -4.22 118.68 113.08 2nr2 s LEU 73 Ca 0.05 0.69 -0.18 0.00 0.05 0.00 0.00 54.13 54.74 2nr2 s LEU 73 Cb -0.12 -2.52 0.09 0.00 -2.05 0.00 0.00 46.19 41.59 2nr2 s LEU 73 CO -0.00 -3.88 0.59 -0.13 -0.55 0.00 0.00 176.35 172.37 2nr2 s ARG 74 N -5.37 3.04 0.00 1.48 0.52 -1.26 -4.29 118.95 113.08 2nr2 s ARG 74 Ca 0.70 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 2nr2 s ARG 74 Cb -0.11 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.16 2nr2 s ARG 74 CO 0.56 -1.31 0.00 0.41 0.02 0.00 0.00 175.30 174.98 2nr2 n GLY 75 N 5.23 0.86 0.00 -3.53 0.00 -1.26 -5.27 105.19 101.22 2nr2 n GLY 75 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93