#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 3.37 0.23 3.17 -0.21 -1.26 -0.12 119.66 124.84 2nr2 s GLN 2 Ca 0.00 -0.64 0.09 0.00 0.02 0.00 0.00 55.36 54.83 2nr2 s GLN 2 Cb 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 2nr2 s GLN 2 CO 0.00 -0.07 -0.03 0.96 -2.12 0.00 0.00 175.29 174.03 2nr2 s ILE 3 N 1.13 3.42 -0.22 1.08 -4.36 -0.76 0.42 121.20 121.92 2nr2 s ILE 3 Ca 0.01 -1.77 -0.08 0.00 -0.26 0.00 0.00 60.65 58.56 2nr2 s ILE 3 Cb -0.14 -2.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 2nr2 s ILE 3 CO -0.02 -0.26 0.09 -0.36 0.24 0.00 0.00 174.94 174.63 2nr2 s PHE 4 N -2.06 3.20 -0.22 1.37 0.08 0.54 -1.47 117.98 119.42 2nr2 s PHE 4 Ca 0.29 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.20 2nr2 s PHE 4 Cb -0.07 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2nr2 s PHE 4 CO 0.18 -0.04 0.10 0.08 -0.10 0.00 0.00 175.22 175.44 2nr2 s VAL 5 N 0.96 4.87 -0.30 -0.44 1.01 0.92 -1.17 120.40 126.25 2nr2 s VAL 5 Ca 0.05 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2nr2 s VAL 5 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2nr2 s VAL 5 CO 0.03 0.39 0.49 -0.54 0.00 0.00 0.00 175.10 175.47 2nr2 s LYS 6 N 0.94 3.89 0.55 2.72 -0.14 0.78 -0.42 119.74 128.06 2nr2 s LYS 6 Ca 0.05 0.09 0.03 0.00 -1.36 0.00 0.00 55.97 54.78 2nr2 s LYS 6 Cb -0.14 -3.71 0.04 0.00 -1.68 0.00 0.00 37.83 32.35 2nr2 s LYS 6 CO 0.03 -0.45 0.76 0.95 -0.76 0.00 0.00 175.35 175.88 2nr2 s THR 7 N 2.31 2.63 -1.51 2.17 -4.23 -0.30 -1.03 115.64 115.67 2nr2 s THR 7 Ca 0.19 -0.74 0.29 0.00 -1.18 0.00 0.00 61.69 60.25 2nr2 s THR 7 Cb -0.16 -2.89 0.44 0.00 1.34 0.00 0.00 72.50 71.24 2nr2 s THR 7 CO 0.11 0.00 1.90 0.18 -0.54 0.00 0.00 174.62 176.27 2nr2 n LEU 8 N -2.30 0.30 0.00 4.79 4.77 -1.26 -3.54 117.00 119.75 2nr2 n LEU 8 Ca 0.09 0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 2nr2 n LEU 8 Cb 0.60 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 2nr2 n LEU 8 CO 0.43 0.06 -0.50 0.71 -1.33 0.00 0.00 177.39 176.76 2nr2 h THR 9 N 0.33 0.91 0.00 -5.08 1.35 -1.96 -3.48 112.91 104.98 2nr2 h THR 9 Ca 0.00 -2.71 0.00 0.00 -0.55 0.00 0.00 66.41 63.15 2nr2 h THR 9 Cb 0.35 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2nr2 h THR 9 CO 0.00 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2nr2 n GLY 10 N 1.63 1.24 3.72 5.82 0.00 -1.23 -5.14 105.19 111.22 2nr2 n GLY 10 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 2.88 -0.32 1.61 2.20 -1.26 -4.93 119.74 119.86 2nr2 s LYS 11 Ca 0.00 -0.57 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 2nr2 s LYS 11 Cb 0.00 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2nr2 s LYS 11 CO 0.00 0.63 0.15 0.99 -0.36 0.00 0.00 175.35 176.77 2nr2 s THR 12 N -1.12 4.52 -0.27 3.43 2.01 -1.25 -1.15 115.64 121.81 2nr2 s THR 12 Ca 0.21 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 2nr2 s THR 12 Cb -0.12 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2nr2 s THR 12 CO 0.11 0.01 0.03 -0.63 -0.69 0.00 0.00 174.62 173.45 2nr2 s ILE 13 N 1.59 3.70 -0.73 1.82 1.01 0.45 -4.84 121.20 124.20 2nr2 s ILE 13 Ca 0.04 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2nr2 s ILE 13 Cb -0.17 -2.84 0.10 0.00 0.01 0.00 0.00 42.46 39.55 2nr2 s ILE 13 CO 0.06 0.21 0.96 -0.89 0.00 0.00 0.00 174.94 175.27 2nr2 s THR 14 N 1.48 4.54 -0.15 2.92 2.01 -1.26 -0.06 115.64 125.13 2nr2 s THR 14 Ca 0.03 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.06 2nr2 s THR 14 Cb -0.16 -4.67 -0.05 0.00 0.01 0.00 0.00 72.50 67.63 2nr2 s THR 14 CO 0.00 -1.41 0.28 -0.76 -0.69 0.00 0.00 174.62 172.04 2nr2 s LEU 15 N 3.38 4.27 -0.43 4.42 1.43 -0.54 -4.95 118.68 126.26 2nr2 s LEU 15 Ca 0.23 0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 53.62 2nr2 s LEU 15 Cb -0.15 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.75 2nr2 s LEU 15 CO 0.04 0.15 0.78 -1.61 0.23 0.00 0.00 176.35 175.94 2nr2 s GLU 16 N 0.20 3.50 0.06 1.70 2.02 -1.26 -1.82 118.70 123.10 2nr2 s GLU 16 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 54.97 55.09 2nr2 s GLU 16 Cb -0.13 -3.90 -0.01 0.00 0.10 0.00 0.00 34.13 30.18 2nr2 s GLU 16 CO 0.04 -1.04 0.12 0.14 0.02 0.00 0.00 175.26 174.53 2nr2 s VAL 17 N 3.24 0.16 0.27 2.63 -7.23 0.82 -4.89 120.40 115.39 2nr2 s VAL 17 Ca 0.30 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.26 2nr2 s VAL 17 Cb -0.12 -1.23 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2nr2 s VAL 17 CO 0.21 -0.71 0.30 -1.61 -0.31 0.00 0.00 175.10 172.99 2nr2 s GLU 18 N -3.45 3.12 0.10 4.82 0.41 -1.26 0.85 118.70 123.28 2nr2 s GLU 18 Ca 0.02 -0.97 0.24 0.00 -0.41 0.00 0.00 54.97 53.85 2nr2 s GLU 18 Cb 0.04 -2.71 0.94 0.00 -1.78 0.00 0.00 34.13 30.62 2nr2 s GLU 18 CO -0.09 0.33 1.74 -0.35 -0.49 0.00 0.00 175.26 176.41 2nr2 n PRO 19 N -1.34 0.10 0.00 0.39 -0.04 -1.26 -1.40 135.00 131.44 2nr2 n PRO 19 Ca -0.07 0.19 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2nr2 n PRO 19 Cb 0.58 -1.64 0.52 0.00 -0.04 0.00 0.00 33.50 32.92 2nr2 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2nr2 n SER 20 N -1.81 0.50 -4.80 3.54 3.41 -1.26 -1.39 113.62 111.81 2nr2 n SER 20 Ca 0.05 -0.43 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 2nr2 n SER 20 Cb 0.30 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 2nr2 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2nr2 s ASP 21 N -2.63 6.55 0.55 4.04 1.01 -0.50 -4.90 116.67 120.79 2nr2 s ASP 21 Ca 0.23 1.87 -0.02 0.00 0.71 0.00 0.00 52.55 55.34 2nr2 s ASP 21 Cb 0.19 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.58 2nr2 s ASP 21 CO 0.53 -0.64 0.81 0.42 0.21 0.00 0.00 175.17 176.50 2nr2 s THR 22 N -2.01 3.37 0.29 -1.27 -4.23 -1.26 -2.79 115.64 107.73 2nr2 s THR 22 Ca 0.65 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2nr2 s THR 22 Cb -0.15 -3.30 0.15 0.00 1.34 0.00 0.00 72.50 70.55 2nr2 s THR 22 CO 0.18 -0.25 1.83 0.40 -0.54 0.00 0.00 174.62 176.24 2nr2 h ILE 23 N 0.02 1.22 -0.87 2.99 1.08 -1.49 -1.60 117.51 118.88 2nr2 h ILE 23 Ca -0.45 -0.81 0.13 0.00 -0.39 0.00 0.00 64.86 63.34 2nr2 h ILE 23 Cb 1.27 0.71 -0.09 0.00 -3.07 0.00 0.00 36.82 35.64 2nr2 h ILE 23 CO 0.57 0.30 0.47 -0.08 -0.69 0.00 0.00 178.15 178.73 2nr2 h GLU 24 N 0.76 0.69 -0.00 2.37 4.81 -1.81 -2.58 114.58 118.81 2nr2 h GLU 24 Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2nr2 h GLU 24 Cb 0.30 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2nr2 h GLU 24 CO 0.00 0.46 0.00 -0.91 -0.73 0.00 0.00 179.01 177.83 2nr2 h ASN 25 N 0.71 0.00 -0.07 1.04 2.35 -1.62 -0.94 115.58 117.05 2nr2 h ASN 25 Ca 0.46 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 2nr2 h ASN 25 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2nr2 h ASN 25 CO -0.32 0.00 -0.19 0.58 -1.65 0.00 0.00 177.43 175.85 2nr2 h VAL 26 N 0.00 1.43 0.00 2.81 2.07 -1.35 -3.20 116.25 118.01 2nr2 h VAL 26 Ca 0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 2nr2 h VAL 26 Cb 0.01 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2nr2 h VAL 26 CO -0.00 0.44 -0.02 0.11 0.02 0.00 0.00 177.57 178.12 2nr2 h LYS 27 N -0.26 0.00 0.00 1.57 1.57 -1.07 -2.59 116.57 115.80 2nr2 h LYS 27 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2nr2 h LYS 27 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2nr2 h LYS 27 CO 0.04 0.02 -0.23 0.00 -0.57 0.00 0.00 179.45 178.71 2nr2 h ALA 28 N 1.98 1.18 0.03 3.86 0.00 -1.17 -0.72 119.26 124.41 2nr2 h ALA 28 Ca -0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 2nr2 h ALA 28 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nr2 h ALA 28 CO 0.00 0.29 -0.99 0.87 0.00 0.00 0.00 179.25 179.42 2nr2 h LYS 29 N 0.00 0.34 -0.08 0.00 1.79 -1.56 -2.04 116.57 115.03 2nr2 h LYS 29 Ca -0.00 -0.41 -0.14 0.00 -2.18 0.00 0.00 60.65 57.92 2nr2 h LYS 29 Cb 0.59 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2nr2 h LYS 29 CO 0.03 1.10 -0.58 0.82 -1.08 0.00 0.00 179.45 179.74 2nr2 h ILE 30 N 0.18 1.38 -0.38 1.86 2.04 -1.33 -0.93 117.51 120.32 2nr2 h ILE 30 Ca -0.08 -1.93 -0.02 0.00 1.00 0.00 0.00 64.86 63.83 2nr2 h ILE 30 Cb 1.65 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.67 2nr2 h ILE 30 CO 0.17 0.57 0.17 -0.61 0.00 0.00 0.00 178.15 178.44 2nr2 h GLN 31 N 0.20 0.56 0.08 2.37 4.15 -0.90 0.12 115.11 121.68 2nr2 h GLN 31 Ca -0.00 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.34 2nr2 h GLN 31 Cb 1.08 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 2nr2 h GLN 31 CO 0.09 0.52 -0.49 -0.44 -1.93 0.00 0.00 178.83 176.58 2nr2 h ASP 32 N 0.47 -1.48 0.58 -0.69 3.32 -1.09 -2.99 116.42 114.55 2nr2 h ASP 32 Ca 0.13 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 2nr2 h ASP 32 Cb 0.16 0.55 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2nr2 h ASP 32 CO -0.01 -0.50 -0.28 0.11 -1.72 0.00 0.00 179.24 176.83 2nr2 h LYS 33 N -0.67 -0.76 0.00 3.56 1.57 -1.10 -3.40 116.57 115.78 2nr2 h LYS 33 Ca -0.00 0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.55 2nr2 h LYS 33 Cb 0.68 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.12 2nr2 h LYS 33 CO -0.28 -0.50 -2.07 0.39 -0.57 0.00 0.00 179.45 176.41 2nr2 n GLU 34 N -4.66 0.65 0.00 3.15 -0.58 0.37 -5.03 120.64 114.54 2nr2 n GLU 34 Ca -0.10 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2nr2 n GLU 34 Cb 0.31 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 2.51 1.29 3.68 0.62 0.00 -0.91 -5.01 105.19 107.37 2nr2 n GLY 35 Ca -0.32 0.00 -0.42 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 -1.43 3.35 0.39 -0.61 1.01 -1.26 -4.88 121.20 117.77 2nr2 s ILE 36 Ca 0.00 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.13 2nr2 s ILE 36 Cb 0.00 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 2nr2 s ILE 36 CO 0.00 -0.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.85 2nr2 s PRO 37 N 2.81 4.16 0.00 2.79 0.04 -1.26 -3.83 135.00 139.71 2nr2 s PRO 37 Ca 0.70 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.46 2nr2 s PRO 37 Cb -0.36 -2.62 0.57 0.00 0.04 0.00 0.00 34.50 32.13 2nr2 s PRO 37 CO 0.30 -0.17 1.03 -0.35 0.04 0.00 0.00 177.00 177.85 2nr2 n PRO 38 N 0.05 0.29 0.03 0.56 -0.04 -1.26 -1.38 135.00 133.26 2nr2 n PRO 38 Ca 0.04 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 2nr2 n PRO 38 Cb 0.48 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2nr2 n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nr2 n ASP 39 N -1.02 0.63 -0.04 3.54 8.00 -1.26 -4.38 116.55 122.03 2nr2 n ASP 39 Ca 0.07 -0.10 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 2nr2 n ASP 39 Cb 0.04 0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 41.48 2nr2 n ASP 39 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2nr2 h GLN 40 N 0.00 0.14 -6.31 -1.24 4.20 -1.61 -3.46 115.11 106.84 2nr2 h GLN 40 Ca 0.00 -0.25 -0.55 0.00 0.06 0.00 0.00 58.65 57.91 2nr2 h GLN 40 Cb 0.70 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2nr2 h GLN 40 CO 0.00 1.12 0.53 1.14 -0.67 0.00 0.00 178.83 180.95 2nr2 s GLN 41 N -2.44 4.45 0.13 1.46 -2.07 -1.24 -0.71 119.66 119.24 2nr2 s GLN 41 Ca -0.24 1.44 0.08 0.00 -1.82 0.00 0.00 55.36 54.82 2nr2 s GLN 41 Cb 0.05 -3.52 -0.04 0.00 -1.09 0.00 0.00 33.01 28.41 2nr2 s GLN 41 CO 0.70 -0.26 -0.10 1.03 -1.32 0.00 0.00 175.29 175.34 2nr2 s ARG 42 N 1.75 2.10 -0.20 9.60 0.52 -0.47 -4.90 118.95 127.35 2nr2 s ARG 42 Ca 0.50 -1.09 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2nr2 s ARG 42 Cb -0.20 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.01 2nr2 s ARG 42 CO 0.21 0.49 -0.10 -0.51 0.02 0.00 0.00 175.30 175.41 2nr2 s LEU 43 N -2.38 2.64 -0.15 2.53 1.43 -1.26 -0.67 118.68 120.82 2nr2 s LEU 43 Ca 0.22 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2nr2 s LEU 43 Cb -0.10 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2nr2 s LEU 43 CO 0.14 -0.00 0.03 -0.63 0.23 0.00 0.00 176.35 176.12 2nr2 s ILE 44 N 1.36 4.51 -0.13 -0.59 1.01 0.14 -0.32 121.20 127.18 2nr2 s ILE 44 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 2nr2 s ILE 44 Cb -0.14 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.40 2nr2 s ILE 44 CO -0.06 0.50 0.30 0.12 0.00 0.00 0.00 174.94 175.81 2nr2 s PHE 45 N 0.06 -0.46 -1.17 3.97 5.36 -0.34 -0.92 117.98 124.48 2nr2 s PHE 45 Ca 0.04 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 2nr2 s PHE 45 Cb -0.13 0.09 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 2nr2 s PHE 45 CO 0.01 -0.31 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 2nr2 n ALA 46 N 4.65 -0.20 -0.98 11.12 0.00 -1.26 -1.64 120.51 132.21 2nr2 n ALA 46 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2nr2 n ALA 46 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.50 0.39 3.68 0.00 0.00 -1.26 -5.03 105.19 101.48 2nr2 n GLY 47 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.58 4.09 -0.35 1.61 1.02 -0.65 -5.06 119.74 119.82 2nr2 s LYS 48 Ca 0.00 -0.27 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 2nr2 s LYS 48 Cb 0.00 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2nr2 s LYS 48 CO 0.00 0.24 1.43 -1.14 -0.92 0.00 0.00 175.35 174.96 2nr2 s GLN 49 N 0.50 3.68 -0.15 1.68 0.74 -1.26 -1.20 119.66 123.64 2nr2 s GLN 49 Ca 0.06 1.14 -0.26 0.00 0.05 0.00 0.00 55.36 56.34 2nr2 s GLN 49 Cb -0.12 -4.00 -0.01 0.00 1.10 0.00 0.00 33.01 29.98 2nr2 s GLN 49 CO -0.00 -1.43 0.88 -0.51 -0.55 0.00 0.00 175.29 173.68 2nr2 s LEU 50 N 5.19 4.20 0.17 3.68 1.43 0.56 -4.97 118.68 128.93 2nr2 s LEU 50 Ca 0.62 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 2nr2 s LEU 50 Cb -0.16 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 2nr2 s LEU 50 CO 0.30 -0.41 1.10 -1.61 0.23 0.00 0.00 176.35 175.95 2nr2 s GLU 51 N 2.09 4.59 0.13 1.70 2.02 -1.26 -4.67 118.70 123.31 2nr2 s GLU 51 Ca 0.41 1.70 -0.16 0.00 0.02 0.00 0.00 54.97 56.95 2nr2 s GLU 51 Cb -0.17 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 2nr2 s GLU 51 CO 0.14 0.06 1.69 -0.44 0.02 0.00 0.00 175.26 176.73 2nr2 h ASP 52 N 5.24 0.54 0.00 -0.19 5.19 -1.94 -1.25 116.42 124.02 2nr2 h ASP 52 Ca -0.44 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 55.81 2nr2 h ASP 52 Cb 1.21 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.58 2nr2 h ASP 52 CO 0.73 0.55 0.00 0.61 -3.12 0.00 0.00 179.24 178.01 2nr2 n GLY 53 N -0.79 1.71 3.45 2.75 0.00 -1.26 -2.95 105.19 108.09 2nr2 n GLY 53 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 0.12 1.60 0.61 1.61 0.52 -0.47 -5.05 118.95 117.88 2nr2 s ARG 54 Ca 0.00 -1.68 -0.03 0.00 -0.52 0.00 0.00 55.73 53.50 2nr2 s ARG 54 Cb 0.00 -1.74 0.04 0.00 0.52 0.00 0.00 34.95 33.76 2nr2 s ARG 54 CO 0.00 0.34 0.88 0.95 0.02 0.00 0.00 175.30 177.49 2nr2 s THR 55 N -2.28 2.81 0.21 0.02 -4.23 -1.26 -2.24 115.64 108.67 2nr2 s THR 55 Ca 0.26 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.32 2nr2 s THR 55 Cb -0.06 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.72 2nr2 s THR 55 CO 0.13 -0.11 1.65 -0.07 -0.54 0.00 0.00 174.62 175.68 2nr2 h LEU 56 N -0.19 0.90 -1.02 4.79 3.38 -1.57 -2.32 115.31 119.29 2nr2 h LEU 56 Ca -0.44 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.15 2nr2 h LEU 56 Cb 1.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2nr2 h LEU 56 CO 0.57 1.02 -0.35 -1.28 0.09 0.00 0.00 178.44 178.48 2nr2 h SER 57 N 0.82 0.26 -0.18 -0.43 0.87 -1.48 0.24 113.55 113.65 2nr2 h SER 57 Ca 0.13 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2nr2 h SER 57 Cb 0.62 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2nr2 h SER 57 CO 0.04 0.60 0.08 -0.78 -0.53 0.00 0.00 176.83 176.24 2nr2 h ASP 58 N 0.22 0.25 0.66 6.23 3.58 -1.70 -2.69 116.42 122.96 2nr2 h ASP 58 Ca 0.03 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2nr2 h ASP 58 Cb 0.73 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2nr2 h ASP 58 CO 0.06 0.34 0.00 -1.22 -2.88 0.00 0.00 179.24 175.54 2nr2 n TYR 59 N -4.85 0.00 -2.72 0.28 4.01 -1.03 -4.94 117.16 107.91 2nr2 n TYR 59 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2nr2 n TYR 59 Cb 0.12 -0.47 0.05 0.00 -0.31 0.00 0.00 39.34 38.72 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 -1.47 -4.61 -4.59 7.72 5.15 -0.43 -5.02 115.26 112.01 2nr2 n ASN 60 Ca 0.05 -0.46 -0.38 0.00 -0.60 0.00 0.00 54.58 53.19 2nr2 n ASN 60 Cb 0.23 -3.65 -0.11 0.00 -0.53 0.00 0.00 39.78 35.72 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 -3.26 5.21 0.51 -1.44 1.01 0.71 -5.00 121.20 118.94 2nr2 s ILE 61 Ca 0.26 0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.13 2nr2 s ILE 61 Cb -0.03 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.02 2nr2 s ILE 61 CO 0.49 0.27 0.69 0.00 0.00 0.00 0.00 174.94 176.39 2nr2 s GLN 62 N 1.64 2.53 0.56 2.79 0.00 -1.26 -4.60 119.66 121.32 2nr2 s GLN 62 Ca 0.07 -1.47 -0.19 0.00 -0.00 0.00 0.00 55.36 53.76 2nr2 s GLN 62 Cb -0.16 -2.68 -0.07 0.00 0.00 0.00 0.00 33.01 30.10 2nr2 s GLN 62 CO 0.09 -0.60 0.90 0.36 0.00 0.00 0.00 175.29 176.05 2nr2 n LYS 63 N -2.06 0.93 -1.82 9.60 2.85 -1.26 -3.13 118.16 123.26 2nr2 n LYS 63 Ca 0.12 0.35 -0.13 0.00 -1.05 0.00 0.00 58.31 57.60 2nr2 n LYS 63 Cb 0.61 -2.07 -0.03 0.00 -0.65 0.00 0.00 35.03 32.89 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 -0.62 -0.96 -2.57 -1.58 1.02 0.17 -4.97 120.64 111.13 2nr2 n GLU 64 Ca 0.12 0.78 -0.38 0.00 -0.02 0.00 0.00 57.16 57.67 2nr2 n GLU 64 Cb 0.46 -4.91 -0.05 0.00 -0.02 0.00 0.00 31.44 26.92 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 -2.63 7.01 -0.61 1.62 0.01 -1.18 -4.64 113.70 113.27 2nr2 s SER 65 Ca 0.00 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.18 2nr2 s SER 65 Cb 0.00 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.79 2nr2 s SER 65 CO 0.00 -0.31 0.56 -0.89 0.41 0.00 0.00 173.24 173.01 2nr2 s THR 66 N -1.50 5.23 -0.13 1.44 2.01 -1.26 -0.34 115.64 121.09 2nr2 s THR 66 Ca 0.52 -1.81 -0.18 0.00 0.31 0.00 0.00 61.69 60.53 2nr2 s THR 66 Cb -0.24 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2nr2 s THR 66 CO 0.31 -0.91 0.49 -0.76 -0.69 0.00 0.00 174.62 173.06 2nr2 s LEU 67 N 1.17 4.25 -0.33 4.42 1.43 -0.32 -4.91 118.68 124.40 2nr2 s LEU 67 Ca 0.07 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 2nr2 s LEU 67 Cb -0.24 -2.71 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 2nr2 s LEU 67 CO -0.01 -0.04 0.69 -1.00 0.23 0.00 0.00 176.35 176.23 2nr2 s HIS 68 N 0.85 3.18 -0.24 0.29 3.76 -0.09 -0.16 115.29 122.87 2nr2 s HIS 68 Ca 0.26 0.57 -0.13 0.00 -0.15 0.00 0.00 55.06 55.61 2nr2 s HIS 68 Cb -0.15 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 2nr2 s HIS 68 CO 0.10 -0.58 0.28 -1.17 -0.85 0.00 0.00 174.74 172.52 2nr2 s LEU 69 N 2.80 4.09 0.50 0.89 0.20 -0.20 0.29 118.68 127.25 2nr2 s LEU 69 Ca 0.28 0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.37 2nr2 s LEU 69 Cb -0.14 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.32 2nr2 s LEU 69 CO 0.14 -0.05 0.13 0.68 -0.29 0.00 0.00 176.35 176.96 2nr2 s VAL 70 N 1.48 1.53 0.31 1.68 -7.23 0.15 -4.24 120.40 114.08 2nr2 s VAL 70 Ca 0.12 -1.83 0.10 0.00 -1.81 0.00 0.00 61.98 58.57 2nr2 s VAL 70 Cb -0.15 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2nr2 s VAL 70 CO 0.08 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.01 2nr2 s LEU 71 N -3.97 2.81 0.90 1.32 1.43 -1.26 -1.37 118.68 118.54 2nr2 s LEU 71 Ca 0.21 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2nr2 s LEU 71 Cb 0.02 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 45.11 2nr2 s LEU 71 CO 0.12 -0.10 0.89 0.54 0.23 0.00 0.00 176.35 178.03 2nr2 n ARG 72 N -0.79 -0.27 0.00 1.70 1.74 0.12 -4.82 116.66 114.34 2nr2 n ARG 72 Ca -0.05 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2nr2 n ARG 72 Cb 0.61 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2nr2 n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2nr2 n LEU 73 N -2.97 0.00 -4.95 0.55 4.77 -1.26 -5.10 117.00 108.04 2nr2 n LEU 73 Ca 0.10 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 2nr2 n LEU 73 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2nr2 n LEU 73 CO 0.49 0.00 -0.00 -0.13 -1.33 0.00 0.00 177.39 176.42 2nr2 s ARG 74 N 3.55 3.46 5.98 3.23 1.81 -1.26 -4.86 118.95 130.85 2nr2 s ARG 74 Ca 0.00 -0.57 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 2nr2 s ARG 74 Cb 0.00 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 2nr2 s ARG 74 CO 0.00 0.39 0.00 0.41 -0.68 0.00 0.00 175.30 175.42 2nr2 n GLY 75 N -1.16 1.50 0.56 -3.53 0.00 -1.26 -5.31 105.19 95.99 2nr2 n GLY 75 Ca -0.07 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.35 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93