#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2n s SER 2 N 0.00 0.72 -0.13 1.61 0.01 -1.26 -5.10 113.70 109.56 1x2n s SER 2 Ca 0.00 -1.39 -0.10 0.00 1.31 0.00 0.00 55.95 55.77 1x2n s SER 2 Cb 0.00 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 1x2n s SER 2 CO 0.00 -0.78 -0.23 -1.20 0.41 0.00 0.00 173.24 171.44 1x2n n SER 3 N -0.38 1.46 0.00 2.44 7.64 -1.26 -5.14 113.62 118.39 1x2n n SER 3 Ca 0.01 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x2n n SER 3 Cb 0.66 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1x2n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2n n GLY 4 N 2.05 0.34 2.85 0.23 0.00 -1.26 -5.04 105.19 104.37 1x2n n GLY 4 Ca -0.21 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 1x2n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2n s SER 5 N -4.00 0.03 0.37 1.61 0.01 -1.26 -5.16 113.70 105.31 1x2n s SER 5 Ca 0.00 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.49 1x2n s SER 5 Cb 0.00 0.08 -0.06 0.00 0.21 0.00 0.00 66.02 66.25 1x2n s SER 5 CO 0.00 -0.15 0.05 -0.94 0.41 0.00 0.00 173.24 172.61 1x2n s SER 6 N 1.21 2.91 0.00 2.44 1.04 -1.26 -5.11 113.70 114.94 1x2n s SER 6 Ca -0.08 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.91 1x2n s SER 6 Cb -0.12 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1x2n s SER 6 CO -0.05 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x2n n GLY 7 N -0.83 0.10 3.11 7.32 0.00 -1.26 -5.13 105.19 108.49 1x2n n GLY 7 Ca -0.05 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 1x2n n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x2n s LYS 8 N -2.00 0.61 -0.15 1.61 0.00 -1.26 -5.14 119.74 113.41 1x2n s LYS 8 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 55.97 54.82 1x2n s LYS 8 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 37.83 38.02 1x2n s LYS 8 CO 0.00 -0.14 0.56 0.54 0.00 0.00 0.00 175.35 176.31 1x2n s ASN 9 N -2.49 6.70 0.31 0.03 2.20 -1.26 -5.07 114.94 115.37 1x2n s ASN 9 Ca 0.00 0.84 0.03 0.00 -0.94 0.00 0.00 52.86 52.80 1x2n s ASN 9 Cb 0.03 -2.32 -0.03 0.00 -2.00 0.00 0.00 41.25 36.93 1x2n s ASN 9 CO -0.07 -0.14 0.48 -0.54 -2.94 0.00 0.00 177.10 173.89 1x2n s LYS 10 N 1.25 3.38 0.76 3.55 -0.14 -1.26 -5.10 119.74 122.17 1x2n s LYS 10 Ca 0.28 -0.60 -0.11 0.00 -1.36 0.00 0.00 55.97 54.18 1x2n s LYS 10 Cb -0.16 -2.76 0.04 0.00 -1.68 0.00 0.00 37.83 33.28 1x2n s LYS 10 CO 0.11 0.20 1.08 0.50 -0.76 0.00 0.00 175.35 176.49 1x2n s ARG 11 N -4.19 2.43 0.00 1.68 3.52 -1.26 -4.99 118.95 116.13 1x2n s ARG 11 Ca 0.39 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1x2n s ARG 11 Cb -0.09 -1.95 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1x2n s ARG 11 CO 0.33 -1.41 0.00 0.41 -0.81 0.00 0.00 175.30 173.82 1x2n n GLY 12 N -2.04 -0.63 3.69 8.12 0.00 -1.26 -5.12 105.19 107.95 1x2n n GLY 12 Ca 0.07 0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.94 1x2n n GLY 12 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x2n n VAL 13 N 0.00 0.22 -2.98 1.61 0.24 -1.26 -4.98 118.33 111.18 1x2n n VAL 13 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.95 1x2n n VAL 13 Cb 0.00 -1.72 -0.03 0.00 -1.47 0.00 0.00 33.84 30.61 1x2n n VAL 13 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1x2n s LEU 14 N 0.75 3.89 0.47 1.34 1.43 -1.26 -5.06 118.68 120.25 1x2n s LEU 14 Ca 0.75 1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 54.67 1x2n s LEU 14 Cb -0.60 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 41.64 1x2n s LEU 14 CO 0.38 -0.34 1.16 -2.16 0.23 0.00 0.00 176.35 175.62 1x2n s PRO 15 N -3.73 3.73 0.27 1.29 0.04 -1.26 -4.86 135.00 130.48 1x2n s PRO 15 Ca 0.50 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.30 1x2n s PRO 15 Cb -0.10 -2.37 0.58 0.00 0.04 0.00 0.00 34.50 32.65 1x2n s PRO 15 CO 0.30 -0.57 1.77 0.87 0.04 0.00 0.00 177.00 179.41 1x2n h LYS 16 N 1.98 0.67 -0.73 4.56 1.57 -1.98 -0.31 116.57 122.32 1x2n h LYS 16 Ca -0.49 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.36 1x2n h LYS 16 Cb 1.25 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 1x2n h LYS 16 CO 0.60 0.45 0.34 1.25 -0.57 0.00 0.00 179.45 181.52 1x2n h HIS 17 N 0.69 0.60 -0.03 -1.35 2.76 -1.98 0.41 115.15 116.25 1x2n h HIS 17 Ca 0.49 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.69 1x2n h HIS 17 Cb 0.70 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1x2n h HIS 17 CO -0.06 0.17 -0.01 0.00 -1.30 0.00 0.00 177.93 176.72 1x2n h ALA 18 N 1.48 0.05 0.00 5.26 0.00 -1.35 -3.04 119.26 121.66 1x2n h ALA 18 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x2n h ALA 18 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1x2n h ALA 18 CO -0.32 -0.23 -0.09 1.79 0.00 0.00 0.00 179.25 180.41 1x2n h THR 19 N -0.32 0.97 0.73 0.00 1.35 -0.78 -2.83 112.91 112.02 1x2n h THR 19 Ca 0.01 -0.30 -0.03 0.00 -0.55 0.00 0.00 66.41 65.54 1x2n h THR 19 Cb 0.44 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1x2n h THR 19 CO 0.00 0.08 -0.50 0.78 -0.25 0.00 0.00 175.52 175.64 1x2n h ASN 20 N 0.00 -1.30 0.55 5.36 2.35 -0.09 0.14 115.58 122.59 1x2n h ASN 20 Ca -0.00 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1x2n h ASN 20 Cb 0.16 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1x2n h ASN 20 CO 0.01 -0.74 -0.43 0.58 -1.65 0.00 0.00 177.43 175.20 1x2n h VAL 21 N -1.17 0.14 -0.81 2.81 2.07 -1.52 0.12 116.25 117.89 1x2n h VAL 21 Ca -0.10 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.61 1x2n h VAL 21 Cb 0.96 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.75 1x2n h VAL 21 CO 0.06 0.00 0.25 0.24 0.02 0.00 0.00 177.57 178.15 1x2n h MET 22 N -0.95 0.30 -0.35 1.57 2.86 -1.51 0.83 114.93 117.67 1x2n h MET 22 Ca -0.06 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1x2n h MET 22 Cb 0.81 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1x2n h MET 22 CO 0.01 0.20 0.04 0.00 1.06 0.00 0.00 176.91 178.21 1x2n h ARG 23 N 0.31 0.59 -0.55 1.72 3.08 -0.33 -0.16 114.38 119.03 1x2n h ARG 23 Ca 0.48 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.39 1x2n h ARG 23 Cb 0.88 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1x2n h ARG 23 CO -0.54 0.68 0.33 0.77 -1.07 0.00 0.00 179.97 180.14 1x2n h SER 24 N 0.41 0.54 0.39 7.04 0.02 0.13 -0.85 113.55 121.23 1x2n h SER 24 Ca 0.10 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1x2n h SER 24 Cb 0.39 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1x2n h SER 24 CO 0.01 0.38 -0.19 -0.25 -1.14 0.00 0.00 176.83 175.64 1x2n h TRP 25 N 0.66 -0.49 -0.67 3.45 7.01 -0.84 -2.23 115.95 122.83 1x2n h TRP 25 Ca 0.22 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.35 1x2n h TRP 25 Cb 0.03 0.16 -0.12 0.00 -2.10 0.00 0.00 29.16 27.13 1x2n h TRP 25 CO -0.06 -0.16 -0.09 1.25 -2.79 0.00 0.00 178.44 176.59 1x2n h LEU 26 N -0.93 -0.48 -0.84 0.65 5.85 -0.95 0.16 115.31 118.78 1x2n h LEU 26 Ca -0.05 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1x2n h LEU 26 Cb 0.55 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1x2n h LEU 26 CO 0.09 -0.19 0.54 -0.26 -0.34 0.00 0.00 178.44 178.28 1x2n h PHE 27 N 0.05 1.06 -0.20 1.25 0.04 -1.18 0.55 116.94 118.51 1x2n h PHE 27 Ca 0.34 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.13 1x2n h PHE 27 Cb 0.55 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1x2n h PHE 27 CO -0.47 0.68 0.11 1.96 -0.60 0.00 0.00 178.31 179.99 1x2n h GLN 28 N 1.14 0.26 -0.27 1.51 1.08 -0.10 -2.50 115.11 116.23 1x2n h GLN 28 Ca 0.31 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.28 1x2n h GLN 28 Cb -0.11 -0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 27.10 1x2n h GLN 28 CO -0.06 0.19 -0.63 0.72 -0.95 0.00 0.00 178.83 178.10 1x2n n HIS 29 N -4.49 1.00 -0.29 2.96 8.25 -0.48 -4.83 115.22 117.34 1x2n n HIS 29 Ca -0.00 -1.75 0.08 0.00 -0.26 0.00 0.00 57.72 55.79 1x2n n HIS 29 Cb 0.09 -0.28 0.20 0.00 1.12 0.00 0.00 29.99 31.12 1x2n n HIS 29 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1x2n h ILE 30 N 1.54 0.24 -0.70 1.59 6.09 0.54 0.21 117.51 127.02 1x2n h ILE 30 Ca 0.13 -0.03 0.13 0.00 -1.37 0.00 0.00 64.86 63.72 1x2n h ILE 30 Cb 1.21 0.14 -0.09 0.00 0.47 0.00 0.00 36.82 38.55 1x2n h ILE 30 CO 0.28 0.02 0.24 1.23 -3.07 0.00 0.00 178.15 176.84 1x2n h GLY 31 N 0.08 1.02 -6.68 8.18 0.00 -1.86 -3.32 103.07 100.49 1x2n h GLY 31 Ca 0.48 -0.11 -0.60 0.00 0.00 0.00 0.00 47.33 47.10 1x2n h GLY 31 CO -0.75 -0.10 -0.83 -1.58 0.00 0.00 0.00 176.54 173.28 1x2n s HIS 32 N -6.05 1.60 -1.17 5.60 2.46 0.69 -5.05 115.29 113.36 1x2n s HIS 32 Ca -0.13 -2.34 -0.23 0.00 0.47 0.00 0.00 55.06 52.84 1x2n s HIS 32 Cb 0.20 -1.43 -0.09 0.00 -0.13 0.00 0.00 32.58 31.12 1x2n s HIS 32 CO 0.76 -0.78 1.93 -0.35 -2.47 0.00 0.00 174.74 173.83 1x2n n PRO 33 N 3.17 1.60 -3.66 2.88 -0.04 -0.86 -4.84 135.00 133.26 1x2n n PRO 33 Ca 0.19 -2.44 -0.27 0.00 -0.04 0.00 0.00 63.50 60.93 1x2n n PRO 33 Cb 0.40 -3.69 -0.16 0.00 -0.04 0.00 0.00 33.50 30.00 1x2n n PRO 33 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1x2n s TYR 34 N 10.75 0.65 0.32 0.54 1.51 -1.26 -4.97 117.35 124.89 1x2n s TYR 34 Ca 0.68 -0.72 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 1x2n s TYR 34 Cb 0.00 -0.93 -0.10 0.00 -0.11 0.00 0.00 41.96 40.82 1x2n s TYR 34 CO 0.14 -0.63 1.22 -1.25 -1.11 0.00 0.00 175.55 173.92 1x2n s PRO 35 N 1.99 4.41 0.15 -1.71 0.04 -1.26 -5.02 135.00 133.59 1x2n s PRO 35 Ca 0.03 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1x2n s PRO 35 Cb -0.17 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 1x2n s PRO 35 CO -0.14 -0.08 0.63 0.95 0.04 0.00 0.00 177.00 178.40 1x2n s THR 36 N -1.18 4.69 0.30 1.26 -4.23 -1.26 -4.87 115.64 110.34 1x2n s THR 36 Ca 0.49 1.17 0.20 0.00 -1.18 0.00 0.00 61.69 62.36 1x2n s THR 36 Cb -0.36 -3.86 0.32 0.00 1.34 0.00 0.00 72.50 69.94 1x2n s THR 36 CO 0.47 0.35 1.13 -0.62 -0.54 0.00 0.00 174.62 175.41 1x2n n GLU 37 N 1.12 -0.03 -0.02 3.99 1.02 -1.26 0.21 120.64 125.67 1x2n n GLU 37 Ca -0.06 0.93 -0.16 0.00 -0.02 0.00 0.00 57.16 57.86 1x2n n GLU 37 Cb 0.51 -1.78 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1x2n h ASP 38 N 0.00 0.28 -0.76 1.62 3.32 -2.00 -3.22 116.42 115.66 1x2n h ASP 38 Ca 0.62 -0.81 0.16 0.00 0.02 0.00 0.00 57.03 57.02 1x2n h ASP 38 Cb 1.88 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 41.24 1x2n h ASP 38 CO -0.42 1.06 0.24 -0.33 -1.72 0.00 0.00 179.24 178.08 1x2n h GLU 39 N -0.47 0.33 -0.94 3.56 4.39 0.22 0.31 114.58 121.97 1x2n h GLU 39 Ca -0.05 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1x2n h GLU 39 Cb 1.12 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1x2n h GLU 39 CO 0.07 0.22 0.62 0.87 -1.16 0.00 0.00 179.01 179.62 1x2n h LYS 40 N 0.34 1.21 0.27 2.33 1.57 -1.37 0.29 116.57 121.20 1x2n h LYS 40 Ca 0.43 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1x2n h LYS 40 Cb 0.73 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1x2n h LYS 40 CO -0.48 0.80 -0.13 0.87 -0.57 0.00 0.00 179.45 179.95 1x2n h LYS 41 N 1.25 -0.35 0.25 3.15 1.57 -0.76 -2.32 116.57 119.36 1x2n h LYS 41 Ca 0.35 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1x2n h LYS 41 Cb -0.12 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1x2n h LYS 41 CO -0.08 -0.04 -0.30 1.96 -0.57 0.00 0.00 179.45 180.41 1x2n h GLN 42 N -0.98 -0.58 -0.05 3.15 4.20 -0.48 -2.98 115.11 117.39 1x2n h GLN 42 Ca -0.04 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1x2n h GLN 42 Cb 0.46 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 1x2n h GLN 42 CO 0.06 -0.39 -0.39 0.82 -0.67 0.00 0.00 178.83 178.26 1x2n h ILE 43 N -0.60 0.19 -1.06 2.54 2.04 -0.56 -0.80 117.51 119.26 1x2n h ILE 43 Ca -0.00 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.24 1x2n h ILE 43 Cb 0.57 0.19 -0.12 0.00 -0.74 0.00 0.00 36.82 36.72 1x2n h ILE 43 CO -0.10 0.00 0.67 0.00 0.00 0.00 0.00 178.15 178.72 1x2n n ALA 44 N -2.87 1.05 0.08 1.87 0.00 -0.87 -0.20 120.51 119.57 1x2n n ALA 44 Ca -0.05 0.71 -0.04 0.00 0.00 0.00 0.00 53.44 54.06 1x2n n ALA 44 Cb 0.36 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 1x2n n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2n h ALA 45 N 1.32 -0.31 -1.03 0.00 0.00 -1.11 1.59 119.26 119.72 1x2n h ALA 45 Ca 0.70 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.81 1x2n h ALA 45 Cb 2.20 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 20.02 1x2n h ALA 45 CO -0.41 -0.29 0.68 1.96 0.00 0.00 0.00 179.25 181.19 1x2n h GLN 46 N -0.97 0.30 -0.00 0.00 1.08 -0.27 0.44 115.11 115.69 1x2n h GLN 46 Ca -0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1x2n h GLN 46 Cb 0.22 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1x2n h GLN 46 CO 0.05 0.20 -0.90 0.25 -0.95 0.00 0.00 178.83 177.48 1x2n n THR 47 N -4.52 0.00 -2.89 -0.54 -2.24 0.72 -4.83 114.28 99.99 1x2n n THR 47 Ca 0.24 -0.05 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1x2n n THR 47 Cb 0.91 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 70.22 1x2n n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x2n n ASN 48 N -1.20 -5.94 -4.71 3.42 3.02 0.35 -4.64 115.26 105.56 1x2n n ASN 48 Ca 0.05 -0.24 -0.23 0.00 -0.03 0.00 0.00 54.58 54.14 1x2n n ASN 48 Cb 0.36 -4.79 -0.06 0.00 -0.61 0.00 0.00 39.78 34.68 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x2n s LEU 49 N -6.32 3.34 0.14 3.41 1.43 0.45 -4.95 118.68 116.18 1x2n s LEU 49 Ca 0.25 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1x2n s LEU 49 Cb -0.11 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 1x2n s LEU 49 CO 0.30 -0.12 0.53 0.42 0.23 0.00 0.00 176.35 177.71 1x2n s THR 50 N -2.33 4.89 0.35 5.49 -4.23 -1.26 -4.37 115.64 114.19 1x2n s THR 50 Ca 0.34 0.78 0.26 0.00 -1.18 0.00 0.00 61.69 61.90 1x2n s THR 50 Cb -0.05 -3.72 0.40 0.00 1.34 0.00 0.00 72.50 70.47 1x2n s THR 50 CO 0.22 0.25 1.25 0.18 -0.54 0.00 0.00 174.62 175.98 1x2n n LEU 51 N 0.83 0.17 0.09 4.79 7.99 -1.26 0.15 117.00 129.75 1x2n n LEU 51 Ca -0.06 1.11 -0.13 0.00 -0.01 0.00 0.00 56.01 56.92 1x2n n LEU 51 Cb 0.52 -0.55 -0.08 0.00 -0.11 0.00 0.00 43.42 43.20 1x2n n LEU 51 CO 0.42 -1.21 0.63 0.25 -1.51 0.00 0.00 177.39 175.98 1x2n h LEU 52 N 0.00 -0.19 0.58 2.23 5.85 -1.97 -2.62 115.31 119.19 1x2n h LEU 52 Ca 0.71 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 59.16 1x2n h LEU 52 Cb 2.28 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.35 1x2n h LEU 52 CO -0.37 0.15 -0.43 1.56 -0.34 0.00 0.00 178.44 179.00 1x2n h GLN 53 N -0.54 -0.93 -1.19 1.25 4.20 0.96 0.47 115.11 119.31 1x2n h GLN 53 Ca -0.02 0.06 0.37 0.00 0.06 0.00 0.00 58.65 59.12 1x2n h GLN 53 Cb 0.41 0.21 -0.12 0.00 0.30 0.00 0.00 27.48 28.29 1x2n h GLN 53 CO 0.04 -0.62 0.77 0.28 -0.67 0.00 0.00 178.83 178.62 1x2n h VAL 54 N -0.97 0.28 0.28 -0.54 2.07 -1.45 -0.28 116.25 115.64 1x2n h VAL 54 Ca -0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1x2n h VAL 54 Cb 0.80 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1x2n h VAL 54 CO 0.03 0.04 -0.14 0.78 0.02 0.00 0.00 177.57 178.30 1x2n h ASN 55 N 0.21 -0.32 -0.35 0.57 2.35 -1.00 -2.85 115.58 114.19 1x2n h ASN 55 Ca 0.73 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 56.38 1x2n h ASN 55 Cb 2.12 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 40.49 1x2n h ASN 55 CO -0.38 0.17 -0.42 0.78 -1.65 0.00 0.00 177.43 175.93 1x2n h ASN 56 N -0.99 -1.37 -0.42 5.81 2.35 0.68 0.24 115.58 121.88 1x2n h ASN 56 Ca -0.04 0.21 0.09 0.00 -0.55 0.00 0.00 56.30 56.01 1x2n h ASN 56 Cb 0.47 0.60 -0.09 0.00 0.05 0.00 0.00 38.32 39.34 1x2n h ASN 56 CO 0.06 -0.37 -0.21 -0.25 -1.65 0.00 0.00 177.43 175.01 1x2n h TRP 57 N -0.35 -0.52 0.84 1.19 7.01 -1.26 0.10 115.95 122.96 1x2n h TRP 57 Ca 0.13 0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 1x2n h TRP 57 Cb 0.59 0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.94 1x2n h TRP 57 CO -0.59 -0.29 -0.48 0.74 -2.79 0.00 0.00 178.44 175.03 1x2n h PHE 58 N -0.13 -1.28 -0.95 2.65 0.04 -1.02 0.28 116.94 116.52 1x2n h PHE 58 Ca 0.20 -0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.20 1x2n h PHE 58 Cb 0.44 0.45 -0.13 0.00 2.20 0.00 0.00 35.95 38.91 1x2n h PHE 58 CO -0.45 -0.74 0.49 0.82 -0.60 0.00 0.00 178.31 177.83 1x2n h ILE 59 N -1.23 0.47 -0.17 -0.55 2.04 -0.20 0.12 117.51 117.99 1x2n h ILE 59 Ca -0.11 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1x2n h ILE 59 Cb 0.97 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1x2n h ILE 59 CO 0.13 0.08 -0.25 0.78 0.00 0.00 0.00 178.15 178.89 1x2n h ASN 60 N 0.45 0.52 0.81 1.72 4.21 -0.47 -3.16 115.58 119.66 1x2n h ASN 60 Ca 0.62 -0.52 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 1x2n h ASN 60 Cb 1.22 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1x2n h ASN 60 CO -0.52 0.94 -0.49 0.00 -1.29 0.00 0.00 177.43 176.07 1x2n h ALA 61 N 0.60 -1.26 -1.43 -0.83 0.00 0.18 -2.15 119.26 114.37 1x2n h ALA 61 Ca 0.02 -0.25 0.43 0.00 0.00 0.00 0.00 54.91 55.10 1x2n h ALA 61 Cb 0.82 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1x2n h ALA 61 CO 0.06 -1.22 0.98 0.07 0.00 0.00 0.00 179.25 179.14 1x2n h ARG 62 N -1.21 0.08 -0.12 0.00 0.11 -0.97 1.40 114.38 113.66 1x2n h ARG 62 Ca -0.11 -0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.81 1x2n h ARG 62 Cb 0.97 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 1x2n h ARG 62 CO 0.12 0.05 -0.60 0.00 0.10 0.00 0.00 179.97 179.63 1x2n h ARG 63 N 0.08 0.42 -0.48 0.08 3.08 -1.36 -0.20 114.38 115.99 1x2n h ARG 63 Ca 0.76 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 60.41 1x2n h ARG 63 Cb 2.69 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 32.76 1x2n h ARG 63 CO -0.19 0.89 -0.15 0.00 -1.07 0.00 0.00 179.97 179.46 1x2n h ARG 64 N 0.31 0.91 0.09 0.04 2.47 0.23 0.10 114.38 118.53 1x2n h ARG 64 Ca -0.01 -0.34 -0.25 0.00 -1.26 0.00 0.00 59.98 58.12 1x2n h ARG 64 Cb 1.14 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1x2n h ARG 64 CO 0.10 1.00 -1.16 -0.84 0.56 0.00 0.00 179.97 179.63 1x2n h ILE 65 N 0.81 1.55 -0.06 2.04 3.07 -1.35 -3.29 117.51 120.27 1x2n h ILE 65 Ca 0.12 -3.12 -0.05 0.00 1.55 0.00 0.00 64.86 63.37 1x2n h ILE 65 Cb 0.69 2.89 0.00 0.00 -0.27 0.00 0.00 36.82 40.13 1x2n h ILE 65 CO 0.05 0.90 -0.14 -0.07 -1.05 0.00 0.00 178.15 177.84 1x2n h LEU 66 N 0.06 0.23 -6.65 0.16 3.38 -0.94 -3.45 115.31 108.11 1x2n h LEU 66 Ca -0.10 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 1x2n h LEU 66 Cb 1.89 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 42.33 1x2n h LEU 66 CO 0.18 0.77 -0.30 -1.10 0.09 0.00 0.00 178.44 178.08 1x2n s GLN 67 N -3.89 0.46 -0.10 1.13 -0.21 0.34 -5.08 119.66 112.31 1x2n s GLN 67 Ca -0.15 1.03 0.02 0.00 0.02 0.00 0.00 55.36 56.28 1x2n s GLN 67 Cb 0.03 0.36 -0.01 0.00 1.00 0.00 0.00 33.01 34.39 1x2n s GLN 67 CO 0.73 -0.42 -0.18 -1.54 -2.12 0.00 0.00 175.29 171.76 1x2n s SER 68 N 2.74 3.59 -0.77 5.90 1.04 -1.24 -4.31 113.70 120.64 1x2n s SER 68 Ca 0.06 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 1x2n s SER 68 Cb -0.14 -1.37 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1x2n s SER 68 CO -0.17 0.19 0.69 0.61 0.98 0.00 0.00 173.24 175.54 1x2n n GLY 69 N 3.33 -0.94 3.58 7.32 0.00 -1.26 -4.90 105.19 112.32 1x2n n GLY 69 Ca -0.18 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1x2n n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2n s PRO 70 N -3.68 3.13 -0.03 1.61 0.04 -1.26 -4.97 135.00 129.84 1x2n s PRO 70 Ca 0.22 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1x2n s PRO 70 Cb -0.03 -4.24 0.02 0.00 0.04 0.00 0.00 34.50 30.29 1x2n s PRO 70 CO 0.62 -2.11 -0.04 -1.12 0.04 0.00 0.00 177.00 174.40 1x2n s SER 71 N 6.43 0.75 -0.19 6.66 0.01 -1.26 -5.06 113.70 121.05 1x2n s SER 71 Ca 0.72 -0.10 -0.17 0.00 1.31 0.00 0.00 55.95 57.72 1x2n s SER 71 Cb -0.18 -0.32 -0.07 0.00 0.21 0.00 0.00 66.02 65.67 1x2n s SER 71 CO 0.29 -0.04 -0.33 -0.24 0.41 0.00 0.00 173.24 173.34 1x2n n SER 72 N 3.82 1.93 0.00 2.44 2.88 -1.26 -5.25 113.62 118.18 1x2n n SER 72 Ca -0.23 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1x2n n SER 72 Cb 0.52 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1x2n n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42