#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 2.81 0.52 2.12 0.74 -1.26 -0.24 119.66 124.35 2nr2 s GLN 2 Ca 0.00 -2.14 -0.02 0.00 0.05 0.00 0.00 55.36 53.25 2nr2 s GLN 2 Cb 0.00 -4.02 0.01 0.00 1.10 0.00 0.00 33.01 30.10 2nr2 s GLN 2 CO 0.00 -1.22 0.78 0.96 -0.55 0.00 0.00 175.29 175.26 2nr2 s ILE 3 N 0.69 3.62 -0.09 -2.34 -4.36 -0.53 -4.73 121.20 113.46 2nr2 s ILE 3 Ca 0.12 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.21 2nr2 s ILE 3 Cb -0.21 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.12 2nr2 s ILE 3 CO -0.03 -0.32 -0.22 -0.36 0.24 0.00 0.00 174.94 174.24 2nr2 s PHE 4 N -2.77 2.36 -0.32 1.37 0.08 -0.71 -2.49 117.98 115.50 2nr2 s PHE 4 Ca 0.52 -0.92 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 2nr2 s PHE 4 Cb -0.10 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 2nr2 s PHE 4 CO 0.41 -0.37 0.05 0.08 -0.10 0.00 0.00 175.22 175.29 2nr2 s VAL 5 N 0.31 3.16 -0.17 -0.44 1.01 -0.56 -0.47 120.40 123.26 2nr2 s VAL 5 Ca -0.16 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 2nr2 s VAL 5 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2nr2 s VAL 5 CO 0.07 -0.21 0.15 -0.54 0.00 0.00 0.00 175.10 174.58 2nr2 s LYS 6 N 1.26 3.93 0.31 2.72 1.02 -0.57 -0.53 119.74 127.88 2nr2 s LYS 6 Ca -0.03 -0.16 0.06 0.00 0.02 0.00 0.00 55.97 55.87 2nr2 s LYS 6 Cb -0.20 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2nr2 s LYS 6 CO -0.01 0.47 0.40 0.95 -0.92 0.00 0.00 175.35 176.24 2nr2 s THR 7 N -0.13 4.34 0.18 2.17 -4.23 0.10 -1.74 115.64 116.33 2nr2 s THR 7 Ca 0.11 -1.06 -0.15 0.00 -1.18 0.00 0.00 61.69 59.41 2nr2 s THR 7 Cb -0.12 -3.50 0.12 0.00 1.34 0.00 0.00 72.50 70.35 2nr2 s THR 7 CO 0.01 -0.21 1.68 0.25 -0.54 0.00 0.00 174.62 175.80 2nr2 h LEU 8 N 1.04 -0.28 -0.07 4.79 5.85 -1.89 -3.33 115.31 121.43 2nr2 h LEU 8 Ca -0.47 0.12 -0.25 0.00 0.84 0.00 0.00 57.88 58.12 2nr2 h LEU 8 Cb 1.25 0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.53 2nr2 h LEU 8 CO 0.56 -0.10 -0.93 0.71 -0.34 0.00 0.00 178.44 178.34 2nr2 h THR 9 N 0.07 1.28 0.00 1.05 1.35 -1.97 -3.46 112.91 111.23 2nr2 h THR 9 Ca 0.24 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2nr2 h THR 9 Cb 0.36 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2nr2 h THR 9 CO -0.43 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2nr2 n GLY 10 N 0.92 -0.06 3.58 5.82 0.00 -1.25 -5.15 105.19 109.06 2nr2 n GLY 10 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 3.37 -0.38 1.61 2.47 -1.26 -4.97 119.74 120.58 2nr2 s LYS 11 Ca 0.00 -0.47 -0.07 0.00 -1.56 0.00 0.00 55.97 53.87 2nr2 s LYS 11 Cb 0.00 -2.86 0.06 0.00 -1.46 0.00 0.00 37.83 33.57 2nr2 s LYS 11 CO 0.00 0.45 0.17 0.99 0.16 0.00 0.00 175.35 177.12 2nr2 s THR 12 N -0.18 3.93 -0.05 3.43 2.01 -1.26 0.02 115.64 123.53 2nr2 s THR 12 Ca 0.04 -1.31 -0.21 0.00 0.31 0.00 0.00 61.69 60.52 2nr2 s THR 12 Cb -0.13 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2nr2 s THR 12 CO 0.02 -0.35 0.62 -0.63 -0.69 0.00 0.00 174.62 173.59 2nr2 s ILE 13 N 1.39 5.02 -0.50 1.82 1.01 0.31 -4.92 121.20 125.33 2nr2 s ILE 13 Ca 0.01 1.28 -0.16 0.00 0.00 0.00 0.00 60.65 61.78 2nr2 s ILE 13 Cb -0.21 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.40 2nr2 s ILE 13 CO 0.02 0.33 0.44 -0.89 0.00 0.00 0.00 174.94 174.83 2nr2 s THR 14 N 0.41 5.21 -0.18 2.92 2.01 -1.26 -1.49 115.64 123.25 2nr2 s THR 14 Ca 0.33 -1.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 2nr2 s THR 14 Cb -0.17 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2nr2 s THR 14 CO 0.16 -0.70 0.08 -0.76 -0.69 0.00 0.00 174.62 172.71 2nr2 s LEU 15 N 1.62 3.91 -0.36 4.42 1.43 -1.04 -5.02 118.68 123.64 2nr2 s LEU 15 Ca 0.04 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 2nr2 s LEU 15 Cb -0.27 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 2nr2 s LEU 15 CO 0.05 0.19 0.38 -1.61 0.23 0.00 0.00 176.35 175.59 2nr2 s GLU 16 N 0.26 3.43 0.15 1.70 2.02 -1.26 -1.45 118.70 123.55 2nr2 s GLU 16 Ca 0.05 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.59 2nr2 s GLU 16 Cb -0.12 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2nr2 s GLU 16 CO -0.00 -0.61 -0.15 0.14 0.02 0.00 0.00 175.26 174.65 2nr2 s VAL 17 N 2.03 1.55 0.36 2.63 -7.23 0.67 -4.87 120.40 115.54 2nr2 s VAL 17 Ca 0.12 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 2nr2 s VAL 17 Cb -0.17 -1.72 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 2nr2 s VAL 17 CO 0.12 -0.42 0.73 -1.61 -0.31 0.00 0.00 175.10 173.62 2nr2 s GLU 18 N -2.89 3.85 0.36 4.82 0.41 -1.26 -0.04 118.70 123.95 2nr2 s GLU 18 Ca 0.13 0.51 0.27 0.00 -0.41 0.00 0.00 54.97 55.47 2nr2 s GLU 18 Cb -0.04 -2.43 1.08 0.00 -1.78 0.00 0.00 34.13 30.95 2nr2 s GLU 18 CO 0.05 0.06 1.81 -1.35 -0.49 0.00 0.00 175.26 175.34 2nr2 h PRO 19 N 1.70 0.00 0.00 0.39 0.11 -1.94 -1.21 132.00 131.04 2nr2 h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2nr2 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2nr2 h PRO 19 CO 0.65 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 2nr2 n SER 20 N -2.57 0.00 -4.80 -2.05 7.64 -1.26 -1.29 113.62 109.29 2nr2 n SER 20 Ca 0.02 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.58 2nr2 n SER 20 Cb 0.28 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.61 5.90 0.80 6.43 1.01 -0.46 -4.75 116.67 123.00 2nr2 s ASP 21 Ca 0.20 1.85 -0.06 0.00 0.71 0.00 0.00 52.55 55.25 2nr2 s ASP 21 Cb 0.15 -2.54 0.14 0.00 1.01 0.00 0.00 42.92 41.69 2nr2 s ASP 21 CO 0.35 -1.08 1.10 0.42 0.21 0.00 0.00 175.17 176.17 2nr2 s THR 22 N -2.34 2.11 0.16 -1.27 -4.23 -1.26 -1.74 115.64 107.07 2nr2 s THR 22 Ca 0.65 -0.36 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2nr2 s THR 22 Cb -0.16 -2.74 -0.16 0.00 1.34 0.00 0.00 72.50 70.77 2nr2 s THR 22 CO 0.33 0.00 1.36 0.40 -0.54 0.00 0.00 174.62 176.18 2nr2 h ILE 23 N -0.91 1.54 -0.14 2.99 1.08 -1.22 -2.71 117.51 118.15 2nr2 h ILE 23 Ca -0.40 -2.77 0.05 0.00 -0.39 0.00 0.00 64.86 61.35 2nr2 h ILE 23 Cb 1.26 2.55 -0.05 0.00 -3.07 0.00 0.00 36.82 37.50 2nr2 h ILE 23 CO 0.41 0.80 -0.21 -0.08 -0.69 0.00 0.00 178.15 178.39 2nr2 h GLU 24 N 0.07 -0.25 -0.73 2.37 4.81 -1.54 -1.37 114.58 117.95 2nr2 h GLU 24 Ca -0.04 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2nr2 h GLU 24 Cb 1.55 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 2nr2 h GLU 24 CO 0.13 -0.17 0.32 -0.97 -0.73 0.00 0.00 179.01 177.59 2nr2 h ASN 25 N -0.26 0.96 -0.56 1.04 -0.73 -1.83 -1.84 115.58 112.36 2nr2 h ASN 25 Ca 0.10 -0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.17 2nr2 h ASN 25 Cb 0.41 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 2nr2 h ASN 25 CO -0.29 0.84 0.35 0.58 -0.37 0.00 0.00 177.43 178.53 2nr2 h VAL 26 N 1.04 1.08 -0.29 2.57 2.07 -1.15 -2.61 116.25 118.97 2nr2 h VAL 26 Ca 0.25 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2nr2 h VAL 26 Cb 0.15 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2nr2 h VAL 26 CO -0.03 0.13 0.19 0.11 0.02 0.00 0.00 177.57 177.99 2nr2 h LYS 27 N 0.69 0.37 -0.31 1.57 1.57 -0.98 -1.16 116.57 118.32 2nr2 h LYS 27 Ca 0.22 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2nr2 h LYS 27 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2nr2 h LYS 27 CO -0.08 0.24 -0.18 0.00 -0.57 0.00 0.00 179.45 178.86 2nr2 h ALA 28 N 1.82 1.12 0.00 3.86 0.00 -1.10 -1.07 119.26 123.89 2nr2 h ALA 28 Ca 0.11 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2nr2 h ALA 28 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2nr2 h ALA 28 CO -0.02 0.55 -0.41 0.87 0.00 0.00 0.00 179.25 180.24 2nr2 h LYS 29 N 0.50 0.00 -0.02 0.00 1.57 -0.85 -0.62 116.57 117.16 2nr2 h LYS 29 Ca 0.08 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 2nr2 h LYS 29 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 2nr2 h LYS 29 CO 0.04 0.41 -0.93 0.82 -0.57 0.00 0.00 179.45 179.22 2nr2 h ILE 30 N 0.00 1.36 0.27 1.86 2.04 -1.27 -1.45 117.51 120.33 2nr2 h ILE 30 Ca -0.00 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 63.51 2nr2 h ILE 30 Cb 0.89 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2nr2 h ILE 30 CO 0.05 0.71 -0.13 -0.61 0.00 0.00 0.00 178.15 178.17 2nr2 h GLN 31 N 0.29 -0.35 -0.56 2.37 4.15 -0.94 -0.42 115.11 119.65 2nr2 h GLN 31 Ca -0.08 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.41 2nr2 h GLN 31 Cb 1.56 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 29.26 2nr2 h GLN 31 CO 0.17 -0.13 -0.38 0.22 -1.93 0.00 0.00 178.83 176.78 2nr2 h ASP 32 N -0.52 -1.37 0.47 -0.69 3.58 -1.19 -2.67 116.42 114.04 2nr2 h ASP 32 Ca -0.04 0.20 -0.30 0.00 0.42 0.00 0.00 57.03 57.31 2nr2 h ASP 32 Cb 0.38 0.60 0.01 0.00 1.72 0.00 0.00 39.33 42.04 2nr2 h ASP 32 CO 0.06 -0.18 -1.42 0.11 -2.88 0.00 0.00 179.24 174.93 2nr2 h LYS 33 N -0.06 0.32 0.00 0.28 1.57 -1.19 -3.40 116.57 114.08 2nr2 h LYS 33 Ca 0.09 -0.55 -0.38 0.00 -1.87 0.00 0.00 60.65 57.94 2nr2 h LYS 33 Cb 0.29 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 2nr2 h LYS 33 CO -0.56 1.23 -2.30 0.39 -0.57 0.00 0.00 179.45 177.64 2nr2 n GLU 34 N -3.54 0.51 0.00 3.15 -0.58 -0.20 -5.05 120.64 114.93 2nr2 n GLU 34 Ca -0.14 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2nr2 n GLU 34 Cb 1.05 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 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 1.80 1.90 3.52 0.62 0.00 -1.00 -5.04 105.19 106.98 2nr2 n GLY 35 Ca -0.44 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.90 4.21 0.30 -0.61 1.01 -1.25 -4.99 121.20 117.95 2nr2 s ILE 36 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2nr2 s ILE 36 Cb 0.00 -2.89 -0.10 0.00 0.01 0.00 0.00 42.46 39.48 2nr2 s ILE 36 CO 0.00 0.45 1.31 -2.84 0.00 0.00 0.00 174.94 173.85 2nr2 s PRO 37 N 0.68 4.37 0.20 2.79 0.02 -1.26 -4.02 135.00 137.78 2nr2 s PRO 37 Ca 0.01 2.17 0.22 0.00 0.02 0.00 0.00 61.00 63.41 2nr2 s PRO 37 Cb -0.14 -3.11 0.90 0.00 0.02 0.00 0.00 34.50 32.18 2nr2 s PRO 37 CO 0.02 -0.19 1.68 -0.35 -0.33 0.00 0.00 177.00 177.82 2nr2 n PRO 38 N 1.31 0.16 0.12 5.54 -0.04 -1.26 -1.37 135.00 139.45 2nr2 n PRO 38 Ca 0.02 0.36 0.18 0.00 -0.04 0.00 0.00 63.50 64.01 2nr2 n PRO 38 Cb 0.42 -1.78 0.74 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.00 -0.03 3.54 5.19 -1.99 -2.23 116.42 120.91 2nr2 h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2nr2 h ASP 39 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2nr2 h ASP 39 CO 0.00 0.00 -0.01 0.00 -3.12 0.00 0.00 179.24 176.11 2nr2 n GLN 40 N -4.10 2.17 -3.70 3.56 6.02 -0.47 -4.83 117.38 116.04 2nr2 n GLN 40 Ca 0.05 -1.72 -0.37 0.00 -0.01 0.00 0.00 57.00 54.95 2nr2 n GLN 40 Cb 0.44 -1.46 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.01 3.86 -0.19 -1.09 -0.21 -0.84 0.47 119.66 119.65 2nr2 s GLN 41 Ca 0.30 0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.69 2nr2 s GLN 41 Cb 0.20 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.96 2nr2 s GLN 41 CO 0.31 0.55 -0.10 0.50 -2.12 0.00 0.00 175.29 174.43 2nr2 s ARG 42 N -0.43 1.98 -0.19 2.91 3.52 -0.17 -4.75 118.95 121.82 2nr2 s ARG 42 Ca 0.16 -0.75 -0.16 0.00 -0.13 0.00 0.00 55.73 54.85 2nr2 s ARG 42 Cb -0.13 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 2nr2 s ARG 42 CO 0.05 -0.40 0.39 -0.51 -0.81 0.00 0.00 175.30 174.02 2nr2 s LEU 43 N 1.44 4.17 -0.13 -0.88 1.43 -1.26 -0.83 118.68 122.62 2nr2 s LEU 43 Ca -0.00 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 2nr2 s LEU 43 Cb -0.16 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2nr2 s LEU 43 CO -0.08 -0.05 -0.08 -0.63 0.23 0.00 0.00 176.35 175.74 2nr2 s ILE 44 N 1.18 3.57 -0.53 -0.59 -1.09 -0.11 -2.16 121.20 121.46 2nr2 s ILE 44 Ca 0.19 -0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 2nr2 s ILE 44 Cb -0.15 -2.52 0.14 0.00 -1.58 0.00 0.00 42.46 38.35 2nr2 s ILE 44 CO 0.08 0.52 0.31 0.12 -1.23 0.00 0.00 174.94 174.73 2nr2 s PHE 45 N 0.15 2.83 0.00 3.97 5.36 0.65 -0.53 117.98 130.41 2nr2 s PHE 45 Ca -0.04 -2.96 0.00 0.00 -0.96 0.00 0.00 56.93 52.97 2nr2 s PHE 45 Cb -0.14 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 2nr2 s PHE 45 CO 0.04 -0.71 0.00 0.00 -1.46 0.00 0.00 175.22 173.08 2nr2 n ALA 46 N 2.98 0.00 0.00 11.12 0.00 -1.26 -1.58 120.51 131.77 2nr2 n ALA 46 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.55 2nr2 n ALA 46 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 1.52 3.73 0.00 0.00 -1.26 -4.97 105.19 104.21 2nr2 n GLY 47 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.70 4.18 -0.42 1.61 1.02 -0.61 -5.07 119.74 119.76 2nr2 s LYS 48 Ca 0.02 -0.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 2nr2 s LYS 48 Cb 0.01 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2nr2 s LYS 48 CO 0.02 0.30 0.28 -1.14 -0.92 0.00 0.00 175.35 173.89 2nr2 s GLN 49 N 0.35 2.81 0.08 1.68 0.74 -1.26 -0.25 119.66 123.81 2nr2 s GLN 49 Ca 0.10 -1.26 -0.30 0.00 0.05 0.00 0.00 55.36 53.94 2nr2 s GLN 49 Cb -0.11 -3.88 -0.06 0.00 1.10 0.00 0.00 33.01 30.06 2nr2 s GLN 49 CO -0.01 -0.87 1.11 -0.51 -0.55 0.00 0.00 175.29 174.47 2nr2 s LEU 50 N 1.55 4.41 0.08 3.68 1.43 -0.92 -5.02 118.68 123.88 2nr2 s LEU 50 Ca 0.03 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.91 2nr2 s LEU 50 Cb -0.22 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 2nr2 s LEU 50 CO 0.06 -0.34 0.53 -1.61 0.23 0.00 0.00 176.35 175.21 2nr2 s GLU 51 N 0.64 4.07 0.02 1.70 2.02 -1.26 -4.78 118.70 121.12 2nr2 s GLU 51 Ca 0.54 0.59 -0.04 0.00 0.02 0.00 0.00 54.97 56.08 2nr2 s GLU 51 Cb -0.27 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 2nr2 s GLU 51 CO 0.30 0.61 1.07 -0.44 0.02 0.00 0.00 175.26 176.82 2nr2 h ASP 52 N 4.30 -0.26 0.00 -0.19 3.32 -1.96 -2.63 116.42 119.00 2nr2 h ASP 52 Ca -0.50 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2nr2 h ASP 52 Cb 1.21 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2nr2 h ASP 52 CO 0.64 -0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 2nr2 n GLY 53 N -1.04 1.28 3.77 2.75 0.00 -1.26 -1.47 105.19 109.23 2nr2 n GLY 53 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.35 2.85 0.92 1.61 0.52 -0.99 -5.00 118.95 118.50 2nr2 s ARG 54 Ca 0.00 -0.78 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 2nr2 s ARG 54 Cb 0.00 -2.67 0.14 0.00 0.52 0.00 0.00 34.95 32.94 2nr2 s ARG 54 CO 0.00 0.53 1.16 0.95 0.02 0.00 0.00 175.30 177.96 2nr2 s THR 55 N -1.52 1.97 0.19 0.02 -4.23 -1.26 -2.21 115.64 108.60 2nr2 s THR 55 Ca 0.30 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.95 2nr2 s THR 55 Cb -0.11 -2.80 0.05 0.00 1.34 0.00 0.00 72.50 70.98 2nr2 s THR 55 CO 0.22 0.00 1.65 -0.07 -0.54 0.00 0.00 174.62 175.88 2nr2 h LEU 56 N -1.51 0.00 -0.16 4.79 3.38 -0.54 -3.26 115.31 118.02 2nr2 h LEU 56 Ca -0.49 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 2nr2 h LEU 56 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2nr2 h LEU 56 CO 0.58 0.50 -0.78 0.77 0.09 0.00 0.00 178.44 179.61 2nr2 h SER 57 N 0.00 0.00 0.63 -0.43 4.64 -1.48 0.20 113.55 117.11 2nr2 h SER 57 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2nr2 h SER 57 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2nr2 h SER 57 CO 0.07 0.78 -0.50 -0.78 -0.87 0.00 0.00 176.83 175.52 2nr2 h ASP 58 N 0.00 -1.31 0.16 4.97 1.82 -1.85 -2.88 116.42 117.32 2nr2 h ASP 58 Ca -0.01 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 2nr2 h ASP 58 Cb 1.52 0.41 -0.00 0.00 0.68 0.00 0.00 39.33 41.94 2nr2 h ASP 58 CO 0.10 -0.70 -0.13 1.88 -1.61 0.00 0.00 179.24 178.78 2nr2 h TYR 59 N -1.09 0.00 -1.87 0.28 0.05 -1.59 -3.47 116.97 109.28 2nr2 h TYR 59 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2nr2 h TYR 59 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2nr2 h TYR 59 CO -0.19 0.13 0.00 -1.71 -1.05 0.00 0.00 178.16 175.34 2nr2 n ASN 60 N -4.23 -1.71 -4.61 3.88 5.15 -0.76 -5.05 115.26 107.93 2nr2 n ASN 60 Ca -0.03 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.53 2nr2 n ASN 60 Cb 0.20 -0.43 -0.04 0.00 -0.53 0.00 0.00 39.78 38.99 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 -2.74 4.60 0.33 -1.44 1.01 0.63 -5.01 121.20 118.58 2nr2 s ILE 61 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.88 2nr2 s ILE 61 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2nr2 s ILE 61 CO 0.00 -0.51 0.51 -1.10 0.00 0.00 0.00 174.94 173.85 2nr2 s GLN 62 N 3.43 3.48 0.00 2.79 -0.21 -1.26 -4.79 119.66 123.10 2nr2 s GLN 62 Ca 0.38 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.36 2nr2 s GLN 62 Cb -0.12 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.18 2nr2 s GLN 62 CO 0.18 0.20 0.00 1.17 -2.12 0.00 0.00 175.29 174.72 2nr2 n LYS 63 N -1.69 0.00 -3.15 2.91 0.00 -1.26 -2.46 118.16 112.51 2nr2 n LYS 63 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.87 2nr2 n LYS 63 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.58 2nr2 n LYS 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2nr2 n GLU 64 N -0.14 3.88 -4.37 1.64 2.13 -1.26 -4.42 120.64 118.10 2nr2 n GLU 64 Ca 0.00 -4.58 -0.34 0.00 0.66 0.00 0.00 57.16 52.90 2nr2 n GLU 64 Cb 0.00 -2.45 -0.09 0.00 0.27 0.00 0.00 31.44 29.17 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 -1.74 5.14 -0.26 4.31 0.01 -1.03 -5.01 113.70 115.12 2nr2 s SER 65 Ca 0.33 0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 2nr2 s SER 65 Cb 0.06 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2nr2 s SER 65 CO 0.06 0.35 0.09 -0.89 0.41 0.00 0.00 173.24 173.26 2nr2 s THR 66 N -0.94 4.43 0.11 1.44 2.01 -1.26 -1.74 115.64 119.69 2nr2 s THR 66 Ca 0.15 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 2nr2 s THR 66 Cb -0.11 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 2nr2 s THR 66 CO 0.05 0.28 0.34 -0.76 -0.69 0.00 0.00 174.62 173.84 2nr2 s LEU 67 N 1.62 4.30 -0.12 4.42 1.02 0.38 -4.79 118.68 125.51 2nr2 s LEU 67 Ca 0.06 0.55 0.01 0.00 0.02 0.00 0.00 54.13 54.77 2nr2 s LEU 67 Cb -0.16 -3.15 0.02 0.00 0.02 0.00 0.00 46.19 42.92 2nr2 s LEU 67 CO 0.05 0.10 -0.13 -1.00 0.02 0.00 0.00 176.35 175.39 2nr2 s HIS 68 N -1.57 1.91 0.10 0.29 3.76 0.31 -1.50 115.29 118.59 2nr2 s HIS 68 Ca 0.38 -0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 54.04 2nr2 s HIS 68 Cb -0.13 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 2nr2 s HIS 68 CO 0.24 -0.55 0.86 -1.17 -0.85 0.00 0.00 174.74 173.27 2nr2 s LEU 69 N 1.33 4.50 0.05 0.89 2.96 -0.71 -0.93 118.68 126.77 2nr2 s LEU 69 Ca 0.00 1.66 0.03 0.00 -0.22 0.00 0.00 54.13 55.59 2nr2 s LEU 69 Cb -0.14 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2nr2 s LEU 69 CO -0.06 0.01 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.20 2nr2 s VAL 70 N -0.24 0.63 0.05 1.68 1.01 -0.01 -4.39 120.40 119.13 2nr2 s VAL 70 Ca 0.42 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.32 2nr2 s VAL 70 Cb -0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2nr2 s VAL 70 CO 0.27 -0.37 -0.07 -0.76 0.00 0.00 0.00 175.10 174.17 2nr2 s LEU 71 N -1.64 3.14 -0.14 3.92 1.43 -1.26 -0.99 118.68 123.13 2nr2 s LEU 71 Ca -0.08 -0.24 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2nr2 s LEU 71 Cb -0.10 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2nr2 s LEU 71 CO 0.01 0.23 0.33 -0.60 0.23 0.00 0.00 176.35 176.55 2nr2 s ARG 72 N -1.80 4.24 0.38 1.70 3.52 0.18 -4.81 118.95 122.35 2nr2 s ARG 72 Ca 0.20 0.17 0.08 0.00 -0.13 0.00 0.00 55.73 56.05 2nr2 s ARG 72 Cb -0.11 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 2nr2 s ARG 72 CO 0.11 0.26 0.19 -0.51 -0.81 0.00 0.00 175.30 174.54 2nr2 s LEU 73 N 0.39 3.24 0.06 -0.88 1.43 -1.26 -4.58 118.68 117.07 2nr2 s LEU 73 Ca 0.19 -0.87 -0.33 0.00 -1.03 0.00 0.00 54.13 52.08 2nr2 s LEU 73 Cb -0.14 -1.69 -0.19 0.00 0.03 0.00 0.00 46.19 44.20 2nr2 s LEU 73 CO 0.06 -0.44 1.54 0.03 0.23 0.00 0.00 176.35 177.76 2nr2 h ARG 74 N 1.42 -0.98 -2.78 1.70 2.47 -1.99 -3.33 114.38 110.88 2nr2 h ARG 74 Ca -0.43 0.07 -0.71 0.00 -1.26 0.00 0.00 59.98 57.65 2nr2 h ARG 74 Cb 1.25 0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 29.74 2nr2 h ARG 74 CO 0.64 -0.65 3.04 0.41 0.56 0.00 0.00 179.97 183.98 2nr2 n GLY 75 N -1.39 4.79 0.00 0.04 0.00 -1.26 -5.29 105.19 102.08 2nr2 n GLY 75 Ca -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93