#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2n n SER 2 N 0.00 0.58 -0.28 1.61 7.64 -1.26 -4.86 113.62 117.05 1x2n n SER 2 Ca 0.00 0.79 0.08 0.00 1.01 0.00 0.00 58.87 60.75 1x2n n SER 2 Cb 0.00 -1.37 0.22 0.00 -1.01 0.00 0.00 64.21 62.06 1x2n n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1x2n h SER 3 N 0.44 0.33 0.00 6.43 4.64 -2.14 -3.46 113.55 119.78 1x2n h SER 3 Ca -0.48 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1x2n h SER 3 Cb 1.37 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1x2n h SER 3 CO 0.50 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1x2n n GLY 4 N -1.33 2.31 3.48 -0.77 0.00 -1.26 -5.19 105.19 102.43 1x2n n GLY 4 Ca 0.17 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 2.00 -0.52 1.04 1.61 0.01 -1.26 -5.11 113.70 111.47 1x2n s SER 5 Ca 0.00 -0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1x2n s SER 5 Cb 0.00 0.60 0.21 0.00 0.21 0.00 0.00 66.02 67.04 1x2n s SER 5 CO 0.00 -0.99 1.16 -0.44 0.41 0.00 0.00 173.24 173.39 1x2n s SER 6 N -2.75 2.33 0.26 2.44 0.01 -1.26 -5.08 113.70 109.65 1x2n s SER 6 Ca 0.02 0.70 0.11 0.00 1.31 0.00 0.00 55.95 58.10 1x2n s SER 6 Cb -0.02 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 1x2n s SER 6 CO -0.10 -3.26 -0.15 -0.83 0.41 0.00 0.00 173.24 169.30 1x2n s GLY 7 N -4.11 1.80 -0.10 3.44 0.00 -1.26 -5.14 107.32 101.95 1x2n s GLY 7 Ca 0.69 -1.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 1x2n s GLY 7 CO 0.55 -1.84 0.26 0.54 0.00 0.00 0.00 173.10 172.61 1x2n s LYS 8 N -3.38 0.27 -0.29 2.90 -0.14 -1.26 -5.14 119.74 112.71 1x2n s LYS 8 Ca 0.29 0.42 -0.08 0.00 -1.36 0.00 0.00 55.97 55.24 1x2n s LYS 8 Cb -0.06 0.05 -0.01 0.00 -1.68 0.00 0.00 37.83 36.14 1x2n s LYS 8 CO 0.15 -0.08 0.10 1.21 -0.76 0.00 0.00 175.35 175.97 1x2n s ASN 9 N 0.53 5.24 0.01 2.83 2.47 -1.26 -5.08 114.94 119.68 1x2n s ASN 9 Ca -0.03 -0.50 -0.00 0.00 0.42 0.00 0.00 52.86 52.74 1x2n s ASN 9 Cb -0.05 -1.93 -0.01 0.00 -1.45 0.00 0.00 41.25 37.82 1x2n s ASN 9 CO -0.03 -0.15 -0.01 -0.54 -3.72 0.00 0.00 177.10 172.65 1x2n s LYS 10 N 1.57 0.14 -0.25 0.43 1.02 -1.26 -5.14 119.74 116.25 1x2n s LYS 10 Ca 0.04 -0.27 -0.09 0.00 0.02 0.00 0.00 55.97 55.67 1x2n s LYS 10 Cb -0.16 0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.15 1x2n s LYS 10 CO 0.04 -0.02 0.13 -0.98 -0.92 0.00 0.00 175.35 173.59 1x2n s ARG 11 N -0.65 3.87 0.00 1.68 3.03 -1.26 -5.04 118.95 120.58 1x2n s ARG 11 Ca -0.07 -0.37 0.00 0.00 2.03 0.00 0.00 55.73 57.32 1x2n s ARG 11 Cb -0.04 -3.47 0.00 0.00 -1.03 0.00 0.00 34.95 30.40 1x2n s ARG 11 CO -0.00 -0.09 0.00 0.41 -1.13 0.00 0.00 175.30 174.49 1x2n n GLY 12 N 4.69 4.26 3.46 3.88 0.00 -1.26 -5.19 105.19 115.04 1x2n n GLY 12 Ca -0.15 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 1x2n n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2n s VAL 13 N -0.21 0.00 0.04 1.61 0.11 -1.26 -5.18 120.40 115.50 1x2n s VAL 13 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1x2n s VAL 13 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1x2n s VAL 13 CO 0.00 0.00 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.96 1x2n s LEU 14 N -2.13 2.30 0.77 2.54 1.43 -1.26 -5.16 118.68 117.17 1x2n s LEU 14 Ca -0.03 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1x2n s LEU 14 Cb -0.01 0.01 0.06 0.00 0.03 0.00 0.00 46.19 46.28 1x2n s LEU 14 CO -0.04 -0.32 1.09 -2.16 0.23 0.00 0.00 176.35 175.15 1x2n s PRO 15 N -2.03 2.26 0.35 1.29 0.04 -1.26 -4.89 135.00 130.76 1x2n s PRO 15 Ca -0.09 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.17 1x2n s PRO 15 Cb -0.06 -1.90 0.63 0.00 0.04 0.00 0.00 34.50 33.21 1x2n s PRO 15 CO -0.02 -1.64 1.89 -0.22 0.04 0.00 0.00 177.00 177.05 1x2n h LYS 16 N -1.12 0.52 -0.61 4.56 1.63 -2.01 -2.46 116.57 117.08 1x2n h LYS 16 Ca -0.44 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.31 1x2n h LYS 16 Cb 1.23 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.73 1x2n h LYS 16 CO 0.51 0.53 0.34 1.25 -3.45 0.00 0.00 179.45 178.63 1x2n h HIS 17 N 0.50 0.63 -0.15 1.91 2.76 -1.97 0.22 115.15 119.06 1x2n h HIS 17 Ca 0.11 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 1x2n h HIS 17 Cb 0.29 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1x2n h HIS 17 CO 0.01 0.32 -0.07 0.00 -1.30 0.00 0.00 177.93 176.89 1x2n h ALA 18 N 1.30 0.20 -0.08 5.26 0.00 -1.73 -3.04 119.26 121.17 1x2n h ALA 18 Ca 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1x2n h ALA 18 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x2n h ALA 18 CO -0.15 -0.00 -0.07 1.79 0.00 0.00 0.00 179.25 180.82 1x2n h THR 19 N -0.03 1.11 0.52 0.00 1.35 -1.15 -3.00 112.91 111.71 1x2n h THR 19 Ca 0.03 -0.45 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1x2n h THR 19 Cb 0.53 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1x2n h THR 19 CO 0.02 0.14 -0.40 0.78 -0.25 0.00 0.00 175.52 175.81 1x2n h ASN 20 N 0.12 -1.05 0.08 5.36 2.35 -0.45 0.32 115.58 122.31 1x2n h ASN 20 Ca 0.03 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1x2n h ASN 20 Cb 0.21 0.33 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 1x2n h ASN 20 CO 0.01 -0.57 -0.49 0.58 -1.65 0.00 0.00 177.43 175.32 1x2n h VAL 21 N -0.89 0.00 -0.47 2.81 2.07 -1.53 0.10 116.25 118.34 1x2n h VAL 21 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 1x2n h VAL 21 Cb 0.74 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1x2n h VAL 21 CO 0.02 0.00 -0.14 0.24 0.02 0.00 0.00 177.57 177.71 1x2n h MET 22 N -0.67 -0.03 0.20 1.57 2.86 -1.52 -0.64 114.93 116.70 1x2n h MET 22 Ca -0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1x2n h MET 22 Cb 0.68 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1x2n h MET 22 CO -0.28 -0.02 -0.39 0.00 1.06 0.00 0.00 176.91 177.28 1x2n h ARG 23 N -0.03 -0.65 -0.33 1.72 3.08 0.17 0.18 114.38 118.53 1x2n h ARG 23 Ca 0.23 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.40 1x2n h ARG 23 Cb 0.37 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1x2n h ARG 23 CO -0.50 -0.43 -0.24 1.03 -1.07 0.00 0.00 179.97 178.76 1x2n h SER 24 N -0.67 -0.78 0.39 7.04 0.87 -0.22 -0.42 113.55 119.76 1x2n h SER 24 Ca 0.01 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1x2n h SER 24 Cb 0.67 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 1x2n h SER 24 CO -0.18 -0.26 -0.33 -0.25 -0.53 0.00 0.00 176.83 175.27 1x2n h TRP 25 N -0.20 -0.88 -0.63 2.24 7.01 -0.81 -0.73 115.95 121.94 1x2n h TRP 25 Ca 0.17 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.29 1x2n h TRP 25 Cb 0.46 0.34 -0.12 0.00 -2.10 0.00 0.00 29.16 27.73 1x2n h TRP 25 CO -0.43 -0.48 -0.18 1.25 -2.79 0.00 0.00 178.44 175.81 1x2n h LEU 26 N -0.73 -0.67 -0.57 0.65 5.85 -0.17 0.71 115.31 120.38 1x2n h LEU 26 Ca -0.03 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1x2n h LEU 26 Cb 0.64 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1x2n h LEU 26 CO -0.02 -0.23 0.36 -0.26 -0.34 0.00 0.00 178.44 177.95 1x2n h PHE 27 N -0.02 0.68 -0.63 1.25 0.04 -0.82 0.51 116.94 117.95 1x2n h PHE 27 Ca 0.30 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.17 1x2n h PHE 27 Cb 0.48 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 1x2n h PHE 27 CO -0.54 0.41 0.42 1.96 -0.60 0.00 0.00 178.31 179.96 1x2n h GLN 28 N 0.72 0.52 -0.34 1.51 1.08 0.63 -1.90 115.11 117.34 1x2n h GLN 28 Ca 0.22 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 57.16 1x2n h GLN 28 Cb -0.03 -0.12 -0.16 0.00 -0.05 0.00 0.00 27.48 27.12 1x2n h GLN 28 CO -0.07 0.34 -0.43 0.72 -0.95 0.00 0.00 178.83 178.44 1x2n n HIS 29 N -4.48 1.18 -0.30 2.96 8.25 -0.43 -4.81 115.22 117.58 1x2n n HIS 29 Ca 0.10 -1.80 0.11 0.00 -0.26 0.00 0.00 57.72 55.87 1x2n n HIS 29 Cb 0.30 -0.39 0.25 0.00 1.12 0.00 0.00 29.99 31.28 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 1.33 0.24 -0.59 1.59 6.09 0.85 0.19 117.51 127.20 1x2n h ILE 30 Ca 0.19 -0.04 0.11 0.00 -1.37 0.00 0.00 64.86 63.74 1x2n h ILE 30 Cb 1.31 0.11 -0.08 0.00 0.47 0.00 0.00 36.82 38.63 1x2n h ILE 30 CO 0.38 0.02 0.15 1.23 -3.07 0.00 0.00 178.15 176.86 1x2n h GLY 31 N 0.12 0.77 -6.69 8.18 0.00 -1.85 -3.32 103.07 100.28 1x2n h GLY 31 Ca 0.53 -0.05 -0.60 0.00 0.00 0.00 0.00 47.33 47.21 1x2n h GLY 31 CO -0.73 -0.09 -0.82 -1.58 0.00 0.00 0.00 176.54 173.31 1x2n s HIS 32 N -6.11 1.70 -1.18 5.60 2.46 0.61 -5.05 115.29 113.32 1x2n s HIS 32 Ca -0.13 -2.42 -0.23 0.00 0.47 0.00 0.00 55.06 52.76 1x2n s HIS 32 Cb 0.17 -1.48 -0.09 0.00 -0.13 0.00 0.00 32.58 31.05 1x2n s HIS 32 CO 0.74 -0.77 1.93 -0.35 -2.47 0.00 0.00 174.74 173.83 1x2n n PRO 33 N 3.06 1.60 -3.66 2.88 -0.04 -0.84 -4.85 135.00 133.15 1x2n n PRO 33 Ca 0.20 -2.46 -0.27 0.00 -0.04 0.00 0.00 63.50 60.92 1x2n n PRO 33 Cb 0.40 -3.72 -0.16 0.00 -0.04 0.00 0.00 33.50 29.98 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 10.96 0.67 0.25 0.54 1.51 -1.26 -4.95 117.35 125.06 1x2n s TYR 34 Ca 0.68 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1x2n s TYR 34 Cb -0.00 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.82 1x2n s TYR 34 CO 0.14 -0.63 1.27 -1.25 -1.11 0.00 0.00 175.55 173.97 1x2n s PRO 35 N 1.98 4.43 0.31 -1.71 0.04 -1.26 -5.02 135.00 133.77 1x2n s PRO 35 Ca 0.02 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 1x2n s PRO 35 Cb -0.17 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 1x2n s PRO 35 CO -0.14 -0.15 0.82 0.95 0.04 0.00 0.00 177.00 178.53 1x2n s THR 36 N -0.48 4.48 0.26 1.26 -4.23 -1.26 -4.84 115.64 110.82 1x2n s THR 36 Ca 0.52 1.36 0.12 0.00 -1.18 0.00 0.00 61.69 62.52 1x2n s THR 36 Cb -0.37 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 69.96 1x2n s THR 36 CO 0.43 -0.01 1.15 -0.62 -0.54 0.00 0.00 174.62 175.03 1x2n n GLU 37 N 0.14 -0.05 -0.00 3.99 1.02 -1.26 0.94 120.64 125.42 1x2n n GLU 37 Ca 0.02 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 58.07 1x2n n GLU 37 Cb 0.52 -1.79 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 1x2n n GLU 37 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1x2n h ASP 38 N 0.00 -0.08 -0.96 1.62 1.82 -2.00 -3.22 116.42 113.60 1x2n h ASP 38 Ca 0.58 -0.54 0.29 0.00 -0.39 0.00 0.00 57.03 56.98 1x2n h ASP 38 Cb 1.47 0.02 -0.17 0.00 0.68 0.00 0.00 39.33 41.33 1x2n h ASP 38 CO -0.59 0.57 0.21 -0.33 -1.61 0.00 0.00 179.24 177.49 1x2n h GLU 39 N -0.81 0.07 -0.89 0.28 4.39 0.21 1.10 114.58 118.92 1x2n h GLU 39 Ca -0.01 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1x2n h GLU 39 Cb 0.61 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1x2n h GLU 39 CO 0.02 0.04 0.48 0.87 -1.16 0.00 0.00 179.01 179.26 1x2n h LYS 40 N 0.07 1.26 0.17 2.33 1.57 -1.38 0.27 116.57 120.86 1x2n h LYS 40 Ca 0.64 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1x2n h LYS 40 Cb 1.43 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1x2n h LYS 40 CO -0.81 0.93 -0.08 0.87 -0.57 0.00 0.00 179.45 179.79 1x2n h LYS 41 N 1.26 -0.22 0.37 3.15 1.57 0.10 -2.20 116.57 120.59 1x2n h LYS 41 Ca 0.31 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1x2n h LYS 41 Cb 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1x2n h LYS 41 CO -0.05 0.20 -0.26 1.96 -0.57 0.00 0.00 179.45 180.74 1x2n h GLN 42 N -0.83 -0.59 -0.42 3.15 1.08 -0.43 -2.91 115.11 114.15 1x2n h GLN 42 Ca -0.02 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1x2n h GLN 42 Cb 0.52 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 28.02 1x2n h GLN 42 CO 0.04 -0.40 -0.03 0.82 -0.95 0.00 0.00 178.83 178.31 1x2n h ILE 43 N -0.62 0.64 -1.12 2.54 2.04 -0.58 -0.92 117.51 119.50 1x2n h ILE 43 Ca -0.03 -0.03 0.43 0.00 1.00 0.00 0.00 64.86 66.23 1x2n h ILE 43 Cb 0.52 0.56 -0.16 0.00 -0.74 0.00 0.00 36.82 37.01 1x2n h ILE 43 CO 0.01 0.01 0.65 0.00 0.00 0.00 0.00 178.15 178.83 1x2n h ALA 44 N 1.39 2.36 0.12 1.87 0.00 -1.19 0.25 119.26 124.05 1x2n h ALA 44 Ca 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1x2n h ALA 44 Cb 0.31 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x2n h ALA 44 CO -0.38 -1.10 -0.06 0.00 0.00 0.00 0.00 179.25 177.72 1x2n h ALA 45 N 1.86 -0.37 -1.27 0.00 0.00 -1.14 1.44 119.26 119.78 1x2n h ALA 45 Ca 0.85 -0.03 0.39 0.00 0.00 0.00 0.00 54.91 56.11 1x2n h ALA 45 Cb 2.37 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 20.11 1x2n h ALA 45 CO -0.66 -0.35 0.83 1.96 0.00 0.00 0.00 179.25 181.03 1x2n h GLN 46 N -0.40 0.15 0.00 0.00 4.20 -1.07 1.09 115.11 119.07 1x2n h GLN 46 Ca -0.02 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x2n h GLN 46 Cb 0.12 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1x2n h GLN 46 CO 0.03 0.10 -1.42 0.25 -0.67 0.00 0.00 178.83 177.12 1x2n n THR 47 N -4.60 0.20 -2.84 -0.54 -2.24 0.77 -4.75 114.28 100.27 1x2n n THR 47 Ca 0.34 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 1x2n n THR 47 Cb 1.30 0.04 0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1x2n n THR 47 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x2n n ASN 48 N -2.23 -4.61 -4.52 3.42 5.15 0.41 -4.58 115.26 108.30 1x2n n ASN 48 Ca -0.01 -0.22 -0.24 0.00 -0.60 0.00 0.00 54.58 53.51 1x2n n ASN 48 Cb 0.51 -3.42 -0.09 0.00 -0.53 0.00 0.00 39.78 36.24 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x2n s LEU 49 N -4.64 2.76 0.23 1.20 1.43 0.32 -4.97 118.68 115.01 1x2n s LEU 49 Ca 0.23 -0.96 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 1x2n s LEU 49 Cb -0.10 -1.24 -0.08 0.00 0.03 0.00 0.00 46.19 44.79 1x2n s LEU 49 CO 0.29 -0.01 0.75 0.42 0.23 0.00 0.00 176.35 178.03 1x2n s THR 50 N -2.48 4.52 0.27 5.49 -4.23 -1.26 -4.40 115.64 113.55 1x2n s THR 50 Ca 0.31 1.36 0.16 0.00 -1.18 0.00 0.00 61.69 62.34 1x2n s THR 50 Cb -0.04 -3.88 0.27 0.00 1.34 0.00 0.00 72.50 70.18 1x2n s THR 50 CO 0.16 0.21 1.14 0.18 -0.54 0.00 0.00 174.62 175.77 1x2n n LEU 51 N 0.72 0.24 0.20 4.79 7.99 -1.26 0.14 117.00 129.82 1x2n n LEU 51 Ca -0.02 1.17 -0.14 0.00 -0.01 0.00 0.00 56.01 57.01 1x2n n LEU 51 Cb 0.51 -0.57 -0.08 0.00 -0.11 0.00 0.00 43.42 43.17 1x2n n LEU 51 CO 0.43 -1.31 0.63 0.25 -1.51 0.00 0.00 177.39 175.88 1x2n h LEU 52 N 0.00 -0.42 0.46 2.23 5.85 -1.96 -1.45 115.31 120.01 1x2n h LEU 52 Ca 0.61 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 1x2n h LEU 52 Cb 1.67 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1x2n h LEU 52 CO -0.53 -0.15 -0.48 1.56 -0.34 0.00 0.00 178.44 178.50 1x2n h GLN 53 N -0.68 -0.92 -1.00 1.25 4.20 0.81 0.17 115.11 118.94 1x2n h GLN 53 Ca -0.05 0.06 0.23 0.00 0.06 0.00 0.00 58.65 58.95 1x2n h GLN 53 Cb 0.48 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 28.38 1x2n h GLN 53 CO 0.08 -0.61 0.63 0.28 -0.67 0.00 0.00 178.83 178.54 1x2n h VAL 54 N -0.95 0.61 0.45 -0.54 2.07 -1.35 -0.88 116.25 115.67 1x2n h VAL 54 Ca -0.05 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1x2n h VAL 54 Cb 0.84 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1x2n h VAL 54 CO -0.07 0.10 -0.22 0.78 0.02 0.00 0.00 177.57 178.17 1x2n h ASN 55 N 0.53 -0.52 -0.41 0.57 2.35 -0.52 -2.87 115.58 114.72 1x2n h ASN 55 Ca 0.57 -0.07 0.08 0.00 -0.55 0.00 0.00 56.30 56.33 1x2n h ASN 55 Cb 1.22 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 39.63 1x2n h ASN 55 CO -0.32 -0.10 -0.38 0.78 -1.65 0.00 0.00 177.43 175.76 1x2n h ASN 56 N -1.07 -1.27 -0.63 5.81 2.35 -0.03 0.18 115.58 120.93 1x2n h ASN 56 Ca -0.06 0.21 0.13 0.00 -0.55 0.00 0.00 56.30 56.02 1x2n h ASN 56 Cb 0.55 0.57 -0.12 0.00 0.05 0.00 0.00 38.32 39.38 1x2n h ASN 56 CO 0.10 -0.35 -0.11 -0.25 -1.65 0.00 0.00 177.43 175.18 1x2n h TRP 57 N -0.29 -0.25 0.88 1.19 7.01 -1.27 0.32 115.95 123.54 1x2n h TRP 57 Ca 0.16 0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 1x2n h TRP 57 Cb 0.57 0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1x2n h TRP 57 CO -0.59 -0.24 -0.42 0.74 -2.79 0.00 0.00 178.44 175.14 1x2n h PHE 58 N 0.03 -1.10 -0.97 2.65 0.04 -0.92 0.50 116.94 117.17 1x2n h PHE 58 Ca 0.31 -0.03 0.31 0.00 2.80 0.00 0.00 57.97 61.36 1x2n h PHE 58 Cb 0.49 0.36 -0.15 0.00 2.20 0.00 0.00 35.95 38.85 1x2n h PHE 58 CO -0.47 -0.68 0.47 0.82 -0.60 0.00 0.00 178.31 177.85 1x2n h ILE 59 N -1.32 0.27 0.12 -0.55 2.04 -0.23 0.42 117.51 118.27 1x2n h ILE 59 Ca -0.12 -0.09 -0.29 0.00 1.00 0.00 0.00 64.86 65.36 1x2n h ILE 59 Cb 0.91 -0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1x2n h ILE 59 CO 0.20 0.05 -1.24 -1.13 0.00 0.00 0.00 178.15 176.03 1x2n h ASN 60 N 0.26 0.74 -0.79 1.72 -0.73 -0.80 -3.14 115.58 112.85 1x2n h ASN 60 Ca 0.70 -0.70 0.01 0.00 1.87 0.00 0.00 56.30 58.17 1x2n h ASN 60 Cb 1.57 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 39.89 1x2n h ASN 60 CO -0.65 1.52 0.52 0.00 -0.37 0.00 0.00 177.43 178.46 1x2n h ALA 61 N 0.39 1.00 0.00 1.57 0.00 0.41 -0.26 119.26 122.37 1x2n h ALA 61 Ca -0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1x2n h ALA 61 Cb 1.91 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1x2n h ALA 61 CO 0.23 0.41 -0.01 0.07 0.00 0.00 0.00 179.25 179.95 1x2n h ARG 62 N 1.07 0.00 0.07 0.00 0.11 -0.68 -2.91 114.38 112.03 1x2n h ARG 62 Ca 0.29 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.21 1x2n h ARG 62 Cb -0.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 30.96 1x2n h ARG 62 CO -0.06 0.01 -0.78 0.00 0.10 0.00 0.00 179.97 179.24 1x2n h ARG 63 N 0.00 0.14 -0.39 0.08 3.08 -1.17 -3.00 114.38 113.13 1x2n h ARG 63 Ca -0.00 -0.25 0.07 0.00 0.07 0.00 0.00 59.98 59.87 1x2n h ARG 63 Cb 0.50 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1x2n h ARG 63 CO 0.00 1.12 0.27 0.07 -1.07 0.00 0.00 179.97 180.35 1x2n h ARG 64 N -0.65 0.24 0.05 0.04 0.11 -1.03 0.11 114.38 113.24 1x2n h ARG 64 Ca -0.17 -0.01 -0.23 0.00 0.10 0.00 0.00 59.98 59.66 1x2n h ARG 64 Cb 1.42 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.44 1x2n h ARG 64 CO 0.02 0.16 -1.03 -0.84 0.10 0.00 0.00 179.97 178.38 1x2n h ILE 65 N 0.25 1.49 -0.05 0.08 3.07 -1.62 -3.32 117.51 117.40 1x2n h ILE 65 Ca 0.17 -2.80 -0.05 0.00 1.55 0.00 0.00 64.86 63.73 1x2n h ILE 65 Cb 0.38 2.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.59 1x2n h ILE 65 CO -0.03 0.82 -0.17 -0.07 -1.05 0.00 0.00 178.15 177.65 1x2n h LEU 66 N 0.12 0.23-10.02 0.16 3.38 -1.06 -3.45 115.31 104.67 1x2n h LEU 66 Ca -0.08 -0.63 -0.51 0.00 0.09 0.00 0.00 57.88 56.74 1x2n h LEU 66 Cb 1.71 -0.07 0.08 0.00 0.09 0.00 0.00 40.66 42.47 1x2n h LEU 66 CO 0.17 0.82 0.49 -1.10 0.09 0.00 0.00 178.44 178.91 1x2n s GLN 67 N -3.70 3.57 -0.04 1.13 -0.21 0.27 -5.04 119.66 115.65 1x2n s GLN 67 Ca -0.15 1.82 0.05 0.00 0.02 0.00 0.00 55.36 57.10 1x2n s GLN 67 Cb 0.02 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 1x2n s GLN 67 CO 0.73 -0.72 -0.17 0.45 -2.12 0.00 0.00 175.29 173.46 1x2n s SER 68 N -1.37 3.83 0.00 5.90 0.15 -1.26 -4.88 113.70 116.07 1x2n s SER 68 Ca 0.67 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x2n s SER 68 Cb -0.30 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 1x2n s SER 68 CO 0.35 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.74 1x2n n GLY 69 N 2.27 0.25 0.00 9.45 0.00 -1.26 -4.87 105.19 111.02 1x2n n GLY 69 Ca -0.17 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.45 1x2n n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2n n PRO 70 N 0.00 0.49 -1.21 1.61 -0.04 -1.26 -4.88 135.00 129.71 1x2n n PRO 70 Ca 0.00 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.99 1x2n n PRO 70 Cb 0.00 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 1x2n n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2n n SER 71 N -0.86 0.57 -4.95 3.54 2.88 -1.26 -4.91 113.62 108.63 1x2n n SER 71 Ca 0.08 0.86 -0.23 0.00 -1.33 0.00 0.00 58.87 58.25 1x2n n SER 71 Cb 0.04 -0.65 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 1x2n n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2n s SER 72 N 1.42 5.91 0.00 -3.46 0.15 -1.26 -5.15 113.70 111.30 1x2n s SER 72 Ca 0.73 0.35 0.29 0.00 0.70 0.00 0.00 55.95 58.01 1x2n s SER 72 Cb -1.03 -1.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.87 1x2n s SER 72 CO 0.53 -0.65 1.84 0.61 1.20 0.00 0.00 173.24 176.77