#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 3.07 0.29 3.17 0.74 -1.26 -1.24 119.66 124.43 2nr2 s GLN 2 Ca 0.00 -0.84 0.09 0.00 0.05 0.00 0.00 55.36 54.67 2nr2 s GLN 2 Cb 0.00 -2.45 -0.06 0.00 1.10 0.00 0.00 33.01 31.60 2nr2 s GLN 2 CO 0.00 0.02 -0.13 0.96 -0.55 0.00 0.00 175.29 175.60 2nr2 s ILE 3 N 0.74 2.14 0.06 -2.34 -4.36 -0.33 -4.39 121.20 112.71 2nr2 s ILE 3 Ca -0.09 -2.26 0.02 0.00 -0.26 0.00 0.00 60.65 58.06 2nr2 s ILE 3 Cb -0.16 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 2nr2 s ILE 3 CO 0.00 -0.33 0.11 -0.36 0.24 0.00 0.00 174.94 174.60 2nr2 s PHE 4 N -2.70 3.29 -0.17 1.37 0.08 -0.43 -0.75 117.98 118.67 2nr2 s PHE 4 Ca 0.30 0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.51 2nr2 s PHE 4 Cb -0.00 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2nr2 s PHE 4 CO 0.14 0.55 -0.19 0.08 -0.10 0.00 0.00 175.22 175.70 2nr2 s VAL 5 N -1.38 2.22 -0.11 -0.44 1.01 0.34 -1.98 120.40 120.07 2nr2 s VAL 5 Ca 0.29 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2nr2 s VAL 5 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2nr2 s VAL 5 CO 0.22 0.53 0.10 -0.75 0.00 0.00 0.00 175.10 175.20 2nr2 s LYS 6 N 1.12 3.31 0.55 2.72 2.20 0.79 0.85 119.74 131.28 2nr2 s LYS 6 Ca 0.01 -0.21 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 2nr2 s LYS 6 Cb -0.14 -3.08 0.06 0.00 -1.51 0.00 0.00 37.83 33.16 2nr2 s LYS 6 CO -0.08 0.76 0.75 0.95 -0.36 0.00 0.00 175.35 177.37 2nr2 s THR 7 N -1.00 2.54 0.09 3.43 -4.23 -1.03 -0.46 115.64 114.98 2nr2 s THR 7 Ca 0.15 -0.85 -0.33 0.00 -1.18 0.00 0.00 61.69 59.48 2nr2 s THR 7 Cb -0.12 -2.69 -0.15 0.00 1.34 0.00 0.00 72.50 70.88 2nr2 s THR 7 CO 0.04 0.00 1.60 -0.07 -0.54 0.00 0.00 174.62 175.65 2nr2 h LEU 8 N 0.17 -1.05 -1.79 4.79 3.38 -1.93 -3.28 115.31 115.60 2nr2 h LEU 8 Ca -0.37 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2nr2 h LEU 8 Cb 1.28 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 2nr2 h LEU 8 CO 0.45 -0.57 -0.03 0.71 0.09 0.00 0.00 178.44 179.09 2nr2 h THR 9 N -0.87 1.07 0.00 0.22 1.35 -1.95 -3.46 112.91 109.27 2nr2 h THR 9 Ca -0.05 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2nr2 h THR 9 Cb 0.75 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2nr2 h THR 9 CO -0.02 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2nr2 n GLY 10 N -1.32 0.38 3.58 5.82 0.00 -1.24 -5.11 105.19 107.30 2nr2 n GLY 10 Ca -0.02 0.00 -0.42 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 3.74 -0.34 1.61 2.20 -1.26 -4.81 119.74 120.88 2nr2 s LYS 11 Ca 0.00 0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.53 2nr2 s LYS 11 Cb 0.00 -3.79 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2nr2 s LYS 11 CO 0.00 -0.72 0.78 0.99 -0.36 0.00 0.00 175.35 176.05 2nr2 s THR 12 N 2.75 4.75 -0.20 3.43 2.01 -1.26 -2.46 115.64 124.66 2nr2 s THR 12 Ca 0.26 0.98 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 2nr2 s THR 12 Cb -0.14 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2nr2 s THR 12 CO 0.14 -0.37 0.09 -0.63 -0.69 0.00 0.00 174.62 173.16 2nr2 s ILE 13 N 3.05 4.87 -0.54 1.82 1.01 0.25 -4.92 121.20 126.74 2nr2 s ILE 13 Ca 0.32 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.75 2nr2 s ILE 13 Cb -0.13 -3.23 0.05 0.00 0.01 0.00 0.00 42.46 39.16 2nr2 s ILE 13 CO 0.15 0.42 0.83 -0.89 0.00 0.00 0.00 174.94 175.45 2nr2 s THR 14 N 0.70 4.56 -0.16 2.92 2.01 -1.26 -0.50 115.64 123.90 2nr2 s THR 14 Ca 0.05 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 2nr2 s THR 14 Cb -0.13 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.91 2nr2 s THR 14 CO 0.02 -1.01 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.09 2nr2 s LEU 15 N 3.49 2.89 -0.31 4.42 1.43 0.07 -5.02 118.68 125.65 2nr2 s LEU 15 Ca 0.25 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2nr2 s LEU 15 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2nr2 s LEU 15 CO 0.16 0.12 0.53 -0.70 0.23 0.00 0.00 176.35 176.70 2nr2 s GLU 16 N 0.62 3.83 0.44 1.70 2.12 -1.26 -1.19 118.70 124.95 2nr2 s GLU 16 Ca -0.05 0.08 0.03 0.00 0.36 0.00 0.00 54.97 55.39 2nr2 s GLU 16 Cb -0.15 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 2nr2 s GLU 16 CO 0.03 -0.53 0.09 0.14 -0.54 0.00 0.00 175.26 174.46 2nr2 s VAL 17 N 2.40 0.75 0.15 3.70 -7.23 -0.38 -4.99 120.40 114.81 2nr2 s VAL 17 Ca 0.20 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2nr2 s VAL 17 Cb -0.15 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2nr2 s VAL 17 CO 0.12 0.00 0.13 -1.61 -0.31 0.00 0.00 175.10 173.43 2nr2 s GLU 18 N -3.75 2.92 0.21 4.82 0.41 -1.26 -0.02 118.70 122.04 2nr2 s GLU 18 Ca 0.18 -0.83 0.24 0.00 -0.41 0.00 0.00 54.97 54.16 2nr2 s GLU 18 Cb 0.02 -2.67 0.91 0.00 -1.78 0.00 0.00 34.13 30.61 2nr2 s GLU 18 CO 0.11 0.50 1.73 -0.35 -0.49 0.00 0.00 175.26 176.76 2nr2 n PRO 19 N -0.23 0.20 0.00 0.39 -0.04 -1.26 -2.19 135.00 131.87 2nr2 n PRO 19 Ca -0.08 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2nr2 n PRO 19 Cb 0.54 -1.81 0.52 0.00 -0.04 0.00 0.00 33.50 32.72 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 -2.17 0.68 -4.76 3.54 7.64 -1.26 -0.88 113.62 116.41 2nr2 n SER 20 Ca 0.04 -0.68 -0.38 0.00 1.01 0.00 0.00 58.87 58.86 2nr2 n SER 20 Cb 0.30 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.49 5.54 0.47 6.43 1.01 -0.93 -4.71 116.67 121.99 2nr2 s ASP 21 Ca 0.27 2.57 -0.03 0.00 0.71 0.00 0.00 52.55 56.07 2nr2 s ASP 21 Cb 0.20 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2nr2 s ASP 21 CO 0.49 -1.37 0.74 0.42 0.21 0.00 0.00 175.17 175.66 2nr2 s THR 22 N -1.41 4.52 0.63 -1.27 -4.23 -1.26 -0.69 115.64 111.92 2nr2 s THR 22 Ca 0.70 -0.12 0.36 0.00 -1.18 0.00 0.00 61.69 61.45 2nr2 s THR 22 Cb -0.35 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.17 2nr2 s THR 22 CO 0.42 -0.61 2.23 0.40 -0.54 0.00 0.00 174.62 176.52 2nr2 h ILE 23 N 0.29 0.24 0.65 2.99 1.08 -1.10 -0.69 117.51 120.97 2nr2 h ILE 23 Ca -0.47 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2nr2 h ILE 23 Cb 1.23 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 2nr2 h ILE 23 CO 0.60 0.00 -0.46 -0.08 -0.69 0.00 0.00 178.15 177.52 2nr2 h GLU 24 N 0.00 -1.03 -0.39 2.37 4.81 -1.65 -2.58 114.58 116.11 2nr2 h GLU 24 Ca 0.02 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2nr2 h GLU 24 Cb 0.18 0.23 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 2nr2 h GLU 24 CO -0.00 -0.69 -0.11 -0.91 -0.73 0.00 0.00 179.01 176.57 2nr2 h ASN 25 N -1.07 -0.40 -0.06 1.04 4.21 -1.49 -1.81 115.58 116.01 2nr2 h ASN 25 Ca -0.08 0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 2nr2 h ASN 25 Cb 0.88 0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2nr2 h ASN 25 CO 0.04 -0.14 0.03 0.58 -1.29 0.00 0.00 177.43 176.65 2nr2 h VAL 26 N -0.02 1.07 0.00 2.81 2.07 -1.30 -2.47 116.25 118.41 2nr2 h VAL 26 Ca 0.19 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2nr2 h VAL 26 Cb 0.31 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2nr2 h VAL 26 CO -0.41 0.06 0.00 0.07 0.02 0.00 0.00 177.57 177.31 2nr2 h LYS 27 N 0.01 0.00 0.00 1.57 2.10 -1.41 -1.76 116.57 117.08 2nr2 h LYS 27 Ca 0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.58 2nr2 h LYS 27 Cb 0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 2nr2 h LYS 27 CO -0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 179.45 177.04 2nr2 h ALA 28 N 2.01 1.06 -0.09 0.07 0.00 -0.98 -1.01 119.26 120.32 2nr2 h ALA 28 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2nr2 h ALA 28 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nr2 h ALA 28 CO 0.00 0.51 -0.04 0.87 0.00 0.00 0.00 179.25 180.59 2nr2 h LYS 29 N 0.00 0.18 -0.62 0.00 1.57 -0.88 -2.79 116.57 114.04 2nr2 h LYS 29 Ca -0.00 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2nr2 h LYS 29 Cb 0.87 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2nr2 h LYS 29 CO 0.05 0.53 0.41 0.82 -0.57 0.00 0.00 179.45 180.70 2nr2 h ILE 30 N -0.17 1.15 -0.63 1.86 2.04 -1.20 -2.45 117.51 118.11 2nr2 h ILE 30 Ca 0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2nr2 h ILE 30 Cb 0.48 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2nr2 h ILE 30 CO 0.01 0.15 0.41 -0.61 0.00 0.00 0.00 178.15 178.11 2nr2 h GLN 31 N 0.83 0.84 -0.33 2.37 4.15 -1.11 -1.14 115.11 120.71 2nr2 h GLN 31 Ca 0.23 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.64 2nr2 h GLN 31 Cb -0.08 -0.19 -0.08 0.00 0.21 0.00 0.00 27.48 27.34 2nr2 h GLN 31 CO -0.05 0.57 -0.51 0.22 -1.93 0.00 0.00 178.83 177.12 2nr2 h ASP 32 N 0.86 -1.68 0.16 -0.69 3.58 -1.39 -1.89 116.42 115.36 2nr2 h ASP 32 Ca 0.23 0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 2nr2 h ASP 32 Cb -0.08 0.69 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2nr2 h ASP 32 CO -0.05 -0.42 -0.08 0.11 -2.88 0.00 0.00 179.24 175.93 2nr2 h LYS 33 N -0.43 -0.20 0.00 0.28 1.57 -1.28 -3.41 116.57 113.10 2nr2 h LYS 33 Ca 0.08 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2nr2 h LYS 33 Cb 0.62 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 2nr2 h LYS 33 CO -0.54 0.23 -0.73 0.39 -0.57 0.00 0.00 179.45 178.23 2nr2 n GLU 34 N -4.94 0.48 0.00 3.15 -0.58 -0.45 -5.03 120.64 113.27 2nr2 n GLU 34 Ca -0.08 0.46 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2nr2 n GLU 34 Cb 0.27 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.56 -0.73 3.71 0.62 0.00 -0.71 -5.04 105.19 104.59 2nr2 n GLY 35 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.25 4.09 0.64 -0.61 1.01 -1.26 -4.92 121.20 119.90 2nr2 s ILE 36 Ca 0.00 1.49 -0.18 0.00 0.00 0.00 0.00 60.65 61.96 2nr2 s ILE 36 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2nr2 s ILE 36 CO 0.00 0.09 1.23 -2.84 0.00 0.00 0.00 174.94 173.41 2nr2 s PRO 37 N 1.36 2.69 0.00 2.79 0.02 -1.26 -3.98 135.00 136.62 2nr2 s PRO 37 Ca 0.58 1.86 0.25 0.00 0.02 0.00 0.00 61.00 63.71 2nr2 s PRO 37 Cb -0.28 -1.89 1.31 0.00 0.02 0.00 0.00 34.50 33.66 2nr2 s PRO 37 CO 0.28 -1.43 1.84 -0.35 -0.33 0.00 0.00 177.00 177.00 2nr2 n PRO 38 N -1.93 0.45 0.06 5.54 -0.04 -1.26 -2.66 135.00 135.17 2nr2 n PRO 38 Ca 0.14 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2nr2 n PRO 38 Cb 0.49 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.21 3.54 3.32 -1.98 -3.35 116.42 118.16 2nr2 h ASP 39 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 2nr2 h ASP 39 Cb 0.18 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.77 2nr2 h ASP 39 CO 0.00 0.95 -1.39 1.56 -1.72 0.00 0.00 179.24 178.65 2nr2 h GLN 40 N 0.00 0.56 -5.88 3.56 4.20 -1.76 -3.44 115.11 112.35 2nr2 h GLN 40 Ca -0.02 -0.89 -0.42 0.00 0.06 0.00 0.00 58.65 57.38 2nr2 h GLN 40 Cb 1.75 0.32 -0.04 0.00 0.30 0.00 0.00 27.48 29.81 2nr2 h GLN 40 CO 0.12 1.42 1.11 -0.65 -0.67 0.00 0.00 178.83 180.16 2nr2 s GLN 41 N -2.70 2.62 -0.07 1.46 -0.21 -1.21 -2.65 119.66 116.90 2nr2 s GLN 41 Ca -0.09 0.22 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 2nr2 s GLN 41 Cb 0.04 -4.66 -0.05 0.00 1.00 0.00 0.00 33.01 29.34 2nr2 s GLN 41 CO 0.94 -2.98 0.52 1.03 -2.12 0.00 0.00 175.29 172.69 2nr2 s ARG 42 N 6.99 4.30 -0.22 2.91 0.52 -0.08 -4.98 118.95 128.39 2nr2 s ARG 42 Ca 0.68 0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 56.41 2nr2 s ARG 42 Cb -0.10 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 2nr2 s ARG 42 CO 0.12 0.25 -0.03 -0.51 0.02 0.00 0.00 175.30 175.15 2nr2 s LEU 43 N 0.27 2.98 -0.20 2.53 1.43 -1.26 -1.45 118.68 122.98 2nr2 s LEU 43 Ca 0.28 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2nr2 s LEU 43 Cb -0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2nr2 s LEU 43 CO 0.13 -0.01 0.09 -0.63 0.23 0.00 0.00 176.35 176.15 2nr2 s ILE 44 N 1.45 4.92 0.00 -0.59 1.01 -0.02 -1.74 121.20 126.23 2nr2 s ILE 44 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2nr2 s ILE 44 Cb -0.14 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2nr2 s ILE 44 CO -0.02 0.43 0.00 0.33 0.00 0.00 0.00 174.94 175.68 2nr2 n PHE 45 N 3.72 0.00 -0.08 3.97 7.35 -1.26 -0.22 117.46 130.94 2nr2 n PHE 45 Ca -0.16 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.46 2nr2 n PHE 45 Cb 0.52 -0.14 -0.02 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.06 0.70 0.00 3.13 0.00 -1.26 -4.69 120.51 117.32 2nr2 n ALA 46 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2nr2 n ALA 46 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.52 -0.35 3.77 0.00 0.00 -1.26 -5.10 105.19 103.77 2nr2 n GLY 47 Ca -0.11 0.02 -0.38 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 -1.80 4.66 0.50 1.61 1.02 -1.26 -5.00 119.74 119.47 2nr2 s LYS 48 Ca 0.00 1.33 -0.18 0.00 0.02 0.00 0.00 55.97 57.13 2nr2 s LYS 48 Cb 0.00 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 2nr2 s LYS 48 CO 0.00 0.43 1.01 1.14 -0.92 0.00 0.00 175.35 177.01 2nr2 s GLN 49 N -1.56 3.84 -0.12 1.68 0.00 -1.26 -4.09 119.66 118.14 2nr2 s GLN 49 Ca 0.44 1.16 -0.10 0.00 -0.00 0.00 0.00 55.36 56.86 2nr2 s GLN 49 Cb -0.22 -2.11 -0.05 0.00 0.00 0.00 0.00 33.01 30.63 2nr2 s GLN 49 CO 0.27 -0.37 0.20 -0.51 0.00 0.00 0.00 175.29 174.88 2nr2 s LEU 50 N -3.78 4.35 0.51 2.60 1.43 -0.71 -5.02 118.68 118.05 2nr2 s LEU 50 Ca 0.63 0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 54.01 2nr2 s LEU 50 Cb -0.13 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.83 2nr2 s LEU 50 CO 0.25 0.32 1.41 -0.70 0.23 0.00 0.00 176.35 177.85 2nr2 s GLU 51 N -0.60 3.36 0.03 1.70 2.12 -1.26 -4.75 118.70 119.30 2nr2 s GLU 51 Ca 0.15 2.35 -0.27 0.00 0.36 0.00 0.00 54.97 57.56 2nr2 s GLU 51 Cb -0.13 -2.43 -0.17 0.00 0.26 0.00 0.00 34.13 31.66 2nr2 s GLU 51 CO 0.04 -1.06 1.33 -0.44 -0.54 0.00 0.00 175.26 174.60 2nr2 h ASP 52 N 1.82 -0.55 -0.82 -1.70 3.32 -1.97 -3.36 116.42 113.16 2nr2 h ASP 52 Ca -0.51 -0.07 -0.73 0.00 0.02 0.00 0.00 57.03 55.75 2nr2 h ASP 52 Cb 1.29 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 40.89 2nr2 h ASP 52 CO 0.59 -0.24 2.70 0.61 -1.72 0.00 0.00 179.24 181.18 2nr2 n GLY 53 N -0.73 4.78 3.16 2.75 0.00 -1.26 -1.80 105.19 112.08 2nr2 n GLY 53 Ca -0.11 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 43.91 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 0.58 0.81 0.70 1.61 1.81 -1.26 -5.02 118.95 118.18 2nr2 s ARG 54 Ca 0.52 -1.26 -0.11 0.00 -1.72 0.00 0.00 55.73 53.17 2nr2 s ARG 54 Cb 0.15 -0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.40 2nr2 s ARG 54 CO -0.06 0.00 1.08 0.95 -0.68 0.00 0.00 175.30 176.60 2nr2 s THR 55 N -3.23 3.40 0.34 0.02 -4.23 -1.26 -2.05 115.64 108.63 2nr2 s THR 55 Ca 0.09 0.39 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 2nr2 s THR 55 Cb 0.03 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.57 2nr2 s THR 55 CO -0.03 -0.57 1.86 -0.07 -0.54 0.00 0.00 174.62 175.27 2nr2 h LEU 56 N -0.63 0.42 -1.03 4.79 3.38 -0.81 -2.87 115.31 118.57 2nr2 h LEU 56 Ca -0.45 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 2nr2 h LEU 56 Cb 1.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2nr2 h LEU 56 CO 0.64 0.54 -0.42 -1.28 0.09 0.00 0.00 178.44 178.01 2nr2 h SER 57 N 0.42 0.14 -0.79 -0.43 0.87 -1.15 -2.63 113.55 109.98 2nr2 h SER 57 Ca 0.08 -0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2nr2 h SER 57 Cb 0.39 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 2nr2 h SER 57 CO 0.02 0.55 0.52 0.44 -0.53 0.00 0.00 176.83 177.83 2nr2 h ASP 58 N 0.11 0.74 0.00 6.23 3.32 -1.78 -0.64 116.42 124.40 2nr2 h ASP 58 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2nr2 h ASP 58 Cb 0.79 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2nr2 h ASP 58 CO 0.06 0.47 0.00 -1.22 -1.72 0.00 0.00 179.24 176.83 2nr2 n TYR 59 N -4.49 0.00 -0.91 4.55 4.01 -1.00 -4.91 117.16 114.41 2nr2 n TYR 59 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2nr2 n TYR 59 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.81 -2.74 -4.44 7.72 3.02 -0.25 -5.01 115.26 112.76 2nr2 n ASN 60 Ca 0.13 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.24 2nr2 n ASN 60 Cb 0.06 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 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 -2.00 4.64 -0.09 2.41 1.01 -1.17 -4.82 121.20 121.18 2nr2 s ILE 61 Ca 0.00 -0.45 0.13 0.00 0.00 0.00 0.00 60.65 60.33 2nr2 s ILE 61 Cb 0.00 -4.48 -0.19 0.00 0.01 0.00 0.00 42.46 37.80 2nr2 s ILE 61 CO 0.00 -1.10 0.15 0.00 0.00 0.00 0.00 174.94 173.99 2nr2 n GLN 62 N 6.81 1.27 0.00 2.79 6.02 -1.26 -4.02 117.38 128.98 2nr2 n GLN 62 Ca -0.05 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2nr2 n GLN 62 Cb 0.45 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 -2.32 0.00 -3.79 -1.09 4.81 -1.26 -4.98 118.16 109.53 2nr2 n LYS 63 Ca -0.15 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.93 2nr2 n LYS 63 Cb 0.73 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.68 2nr2 n LYS 63 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2nr2 s GLU 64 N 0.20 3.98 -0.04 1.64 -1.05 -1.26 -4.39 118.70 117.78 2nr2 s GLU 64 Ca 0.00 -0.32 -0.10 0.00 -0.15 0.00 0.00 54.97 54.40 2nr2 s GLU 64 Cb 0.00 -3.40 0.02 0.00 -0.44 0.00 0.00 34.13 30.31 2nr2 s GLU 64 CO 0.00 0.10 0.23 0.45 0.95 0.00 0.00 175.26 176.99 2nr2 s SER 65 N 0.89 -0.15 -0.28 0.83 0.15 -1.26 -5.06 113.70 108.82 2nr2 s SER 65 Ca 0.06 0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.90 2nr2 s SER 65 Cb -0.13 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 2nr2 s SER 65 CO 0.03 -0.26 -0.06 -0.89 1.20 0.00 0.00 173.24 173.25 2nr2 s THR 66 N -0.69 2.42 0.27 6.45 2.01 -1.26 -1.31 115.64 123.54 2nr2 s THR 66 Ca -0.08 -1.63 -0.04 0.00 0.31 0.00 0.00 61.69 60.26 2nr2 s THR 66 Cb -0.04 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 2nr2 s THR 66 CO 0.02 -0.10 0.52 -0.76 -0.69 0.00 0.00 174.62 173.60 2nr2 s LEU 67 N 1.13 4.09 -0.21 4.42 1.43 -0.84 -4.78 118.68 123.92 2nr2 s LEU 67 Ca -0.06 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2nr2 s LEU 67 Cb -0.20 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 42.61 2nr2 s LEU 67 CO -0.04 -0.17 -0.14 -1.00 0.23 0.00 0.00 176.35 175.23 2nr2 s HIS 68 N -2.05 2.95 -0.89 0.29 3.76 0.69 -0.15 115.29 119.90 2nr2 s HIS 68 Ca 0.43 -1.72 -0.25 0.00 -0.15 0.00 0.00 55.06 53.37 2nr2 s HIS 68 Cb -0.11 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.66 2nr2 s HIS 68 CO 0.30 -0.79 1.39 -1.17 -0.85 0.00 0.00 174.74 173.62 2nr2 s LEU 69 N 1.27 3.34 -0.20 0.89 2.96 0.40 -0.84 118.68 126.49 2nr2 s LEU 69 Ca 0.01 -0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 52.94 2nr2 s LEU 69 Cb -0.15 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 2nr2 s LEU 69 CO -0.09 -1.70 -0.08 -0.69 -1.32 0.00 0.00 176.35 172.48 2nr2 s VAL 70 N 5.50 3.16 -0.91 1.68 1.01 -0.53 -3.92 120.40 126.39 2nr2 s VAL 70 Ca 0.42 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 2nr2 s VAL 70 Cb -0.04 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 34.06 2nr2 s VAL 70 CO 0.02 0.45 1.10 -0.76 0.00 0.00 0.00 175.10 175.91 2nr2 s LEU 71 N 1.29 5.13 -0.15 3.92 1.02 -1.26 -0.91 118.68 127.73 2nr2 s LEU 71 Ca 0.03 -2.05 -0.05 0.00 0.02 0.00 0.00 54.13 52.08 2nr2 s LEU 71 Cb -0.14 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.64 2nr2 s LEU 71 CO -0.03 -1.05 0.04 -0.60 0.02 0.00 0.00 176.35 174.73 2nr2 s ARG 72 N 2.58 3.62 0.43 1.70 3.52 -1.08 -5.01 118.95 124.70 2nr2 s ARG 72 Ca 0.31 -0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 55.34 2nr2 s ARG 72 Cb -0.06 -3.06 -0.11 0.00 -1.56 0.00 0.00 34.95 30.17 2nr2 s ARG 72 CO -0.09 0.44 0.95 -0.51 -0.81 0.00 0.00 175.30 175.28 2nr2 s LEU 73 N -0.12 3.94 1.16 -0.88 1.43 -1.26 -4.61 118.68 118.34 2nr2 s LEU 73 Ca 0.06 1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 2nr2 s LEU 73 Cb -0.12 -4.54 0.27 0.00 0.03 0.00 0.00 46.19 41.83 2nr2 s LEU 73 CO 0.01 -0.38 0.97 0.54 0.23 0.00 0.00 176.35 177.72 2nr2 n ARG 74 N -0.65 -2.28 0.00 1.70 1.74 -1.26 -4.83 116.66 111.07 2nr2 n ARG 74 Ca 0.07 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 2nr2 n ARG 74 Cb 0.54 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2nr2 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nr2 n GLY 75 N 1.02 0.16 0.00 -0.13 0.00 -1.26 -5.21 105.19 99.77 2nr2 n GLY 75 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2nr2 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93